*HEADER    CELL ADHESION                           26-AUG-19   6U4M              
*TITLE     SOLUTION STRUCTURE OF PAXILLIN LIM4                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PAXILLIN;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: LIM4 DOMAIN RESIDUES 527-591;                              
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: PXN;                                                           
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PGST-1                                    
*KEYWDS    LIM DOMAIN, ZINC FINGER, CELL ADHESION                                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    L.ZHU,J.QIN                                                           
*REVDAT   1   23-OCT-19 6U4M    0                                                
# Restraints file 1: lim4_free-restraint-submit.xtb
!@ BEGIN_XPLR_NOE_FILE
! G534

! A535
assign (resid 535 and name   HA) (resid 536 and name   HN)  3.0  1.2  0.5 ! A.10   at  1.57e+07
assign (resid 535 and name  HB#) (resid 536 and name   HN)  4.0  2.2  1.5 ! A.11   at  2.94e+06

! M536
assign (resid 536 and name   HA) (resid 536 and name  HG2)  3.0  1.2  0.3 ! A.2    at -1.27e+07
assign (resid 536 and name  HG1) (resid 536 and name   HA)  4.0  2.2  1.0 ! A.6    at -2.45e+06
assign (resid 536 and name   HN) (resid 536 and name  HB2)  3.0  1.2  0.5 ! A.13   at  7.38e+06
assign (resid 536 and name   HN) (resid 536 and name  HG1)  4.0  2.2  1.0 ! A.14   at  2.18e+06
assign (resid 536 and name   HN) (resid 536 and name  HG2)  4.0  2.2  1.0 ! A.15   at  2.18e+06
assign (resid 536 and name   HA) (resid 537 and name   HN)  2.5  0.7  0.9 ! A.31   at  7.43e+07
assign (resid 536 and name   HN) (resid 537 and name   HA)  3.0  1.2  1.3 ! A.16   at  1.02e+08
assign (resid 536 and name  HB1) (resid 537 and name   HN)  3.0  1.2  0.5 ! A.32   at  9.86e+06
assign (resid 536 and name  HB2) (resid 537 and name   HN)  3.0  1.2  0.5 ! A.33   at  6.50e+06
assign (resid 536 and name   HN) (resid 538 and name  HD1)  4.0  2.2  1.7 ! A.17   at  2.30e+06
assign (resid 536 and name   HN) (resid 540 and name   HA)  4.0  2.2  1.0 ! A.18   at  4.68e+06

! D537
assign (resid 537 and name  HB1) (resid 537 and name   HN)  3.0  1.2  0.5 ! A.23   at -8.25e+06
assign (resid 537 and name  HB2) (resid 537 and name   HN)  3.0  1.2  0.5 ! A.24   at -1.01e+07
assign (resid 537 and name  HB1) (resid 538 and name  HD1)  3.0  1.2  0.3 ! A.52   at -6.73e+06
assign (resid 537 and name  HB1) (resid 538 and name  HD2)  3.0  1.2  0.3 ! A.53   at -1.66e+07
assign (resid 537 and name  HB2) (resid 538 and name  HD1)  4.0  2.2  1.0 ! A.54   at -4.50e+06
assign (resid 537 and name  HB2) (resid 538 and name  HD2)  3.0  1.2  0.3 ! A.55   at -5.93e+06
assign (resid 537 and name   HN) (resid 538 and name  HD1)  4.0  2.2  1.0 ! A.37   at  3.40e+06
assign (resid 537 and name   HN) (resid 538 and name  HD2)  4.0  2.2  1.0 ! A.38   at  3.45e+06
assign (resid 537 and name   HA) (resid 538 and name  HD1)  2.5  0.7  0.2 ! A.50   at -5.53e+07
assign (resid 537 and name   HA) (resid 538 and name  HD2)  2.5  0.7  0.2 ! A.51   at -6.63e+07
assign (resid 537 and name  HB1) (resid 539 and name   HN)  4.0  2.2  1.0 ! A.84   at  5.39e+06
assign (resid 537 and name  HB2) (resid 539 and name   HN)  4.0  2.2  1.0 ! A.30   at -2.09e+06
assign (resid 537 and name   HA) (resid 539 and name   HN)  2.5  0.7  1.1 ! A.83   at  5.81e+07
assign (resid 537 and name   HN) (resid 540 and name  HB2)  4.0  2.2  1.0 ! A.39   at  1.91e+06
assign (resid 537 and name  HB1) (resid 540 and name   HN)  4.0  2.2  1.0 ! A.105  at  2.83e+06

! P538
assign (resid 538 and name   HA) (resid 538 and name  HG1)  3.0  1.2  0.8 ! A.41   at -2.36e+07
assign (resid 538 and name   HA) (resid 538 and name  HG2)  3.0  1.2  1.0 ! A.42   at -2.74e+07
assign (resid 538 and name  HB1) (resid 538 and name  HD1)  3.0  1.2  0.3 ! A.47   at -8.36e+06
assign (resid 538 and name   HA) (resid 539 and name   HN)  2.5  0.7  0.9 ! A.43   at -5.79e+07
assign (resid 538 and name  HB1) (resid 539 and name   HN)  4.0  2.2  1.0 ! A.49   at -3.53e+06
assign (resid 538 and name  HD2) (resid 539 and name   HN)  3.0  1.2  0.5 ! A.88   at  1.15e+07
assign (resid 538 and name  HD1) (resid 539 and name   HN)  4.0  2.2  2.0 ! A.87   at  1.32e+06
assign (resid 538 and name   HA) (resid 540 and name  HB2)  4.0  2.2  1.0 ! A.44   at -4.39e+06
assign (resid 538 and name   HA) (resid 540 and name   HN)  4.0  2.2  1.0 ! A.45   at -4.88e+06

! E539
assign (resid 539 and name  HB2) (resid 539 and name   HN)  3.0  1.2  0.5 ! A.75   at -2.49e+07
assign (resid 539 and name  HG1) (resid 539 and name   HA)  3.0  1.2  0.8 ! A.77   at -1.05e+07
assign (resid 539 and name  HG1) (resid 539 and name   HN)  3.0  1.2  0.5 ! A.81   at -6.43e+06
assign (resid 539 and name  HG2) (resid 539 and name   HA)  3.0  1.2  0.3 ! A.78   at -1.24e+07
assign (resid 539 and name  HG2) (resid 539 and name   HN)  4.0  2.2  1.0 ! A.82   at -4.56e+06
assign (resid 539 and name   HN) (resid 539 and name  HB1)  3.0  1.2  0.5 ! A.90   at  1.43e+07
assign (resid 539 and name   HA) (resid 540 and name  HB1)  3.0  1.2  1.3 ! A.69   at -8.63e+06
assign (resid 539 and name   HA) (resid 540 and name  HB2)  3.0  1.2  1.7 ! A.70   at -8.63e+06
assign (resid 539 and name   HA) (resid 540 and name   HN)  2.5  0.7  1.0 ! A.71   at -5.07e+07
assign (resid 539 and name  HB2) (resid 540 and name   HN)  2.5  0.7  0.4 ! A.109  at  4.31e+07
assign (resid 539 and name   HN) (resid 540 and name  HB1)  4.0  2.2  1.0 ! A.94   at  2.36e+06
assign (resid 539 and name   HN) (resid 540 and name  HB2)  4.0  2.2  1.0 ! A.95   at  2.36e+06
assign (resid 539 and name   HN) (resid 540 and name   HN)  3.0  1.2  0.5 ! A.96   at  3.25e+07
assign (resid 539 and name  HB1) (resid 540 and name   HA)  4.0  2.2  1.0 ! A.97   at -4.08e+06
assign (resid 539 and name  HB2) (resid 540 and name   HA)  4.0  2.2  1.0 ! A.98   at -4.07e+06
assign (resid 539 and name  HB1) (resid 540 and name   HN)  3.0  1.2  0.5 ! A.108  at  6.47e+06
assign (resid 539 and name  HG1) (resid 540 and name   HN)  4.0  2.2  1.0 ! A.110  at  3.39e+06
assign (resid 539 and name  HG2) (resid 540 and name   HN)  3.0  1.2  0.5 ! A.111  at  6.47e+06
assign (resid 539 and name   HA) (resid 541 and name   HN)  4.0  2.2  1.0 ! A.120  at  2.75e+06
assign (resid 539 and name  HB2) (resid 541 and name   HN)  4.0  2.2  1.0 ! A.121  at  2.62e+06

! F540
assign (resid 540 and name  HB1) (resid 540 and name   HN)  3.0  1.2  0.5 ! A.103  at -2.29e+07
assign (resid 540 and name  HB2) (resid 540 and name   HN)  3.0  1.2  0.5 ! A.104  at -2.12e+07
assign (resid 540 and name   HA) (resid 541 and name   HN)  2.5  0.7  1.0 ! A.122  at  5.47e+07

! Y541
assign (resid 541 and name  HB1) (resid 541 and name   HN)  3.0  1.2  0.5 ! A.118  at -9.72e+06
assign (resid 541 and name  HB2) (resid 541 and name   HN)  3.0  1.2  0.5 ! A.119  at -6.53e+06
assign (resid 541 and name   HA) (resid 542 and name   HN)  3.0  1.2  0.5 ! A.132  at  1.10e+07
assign (resid 541 and name  HB1) (resid 542 and name   HN)  4.0  2.2  1.0 ! A.133  at  2.75e+06

! H542
assign (resid 542 and name  HB2) (resid 542 and name   HN)  4.0  2.2  1.0 ! A.130  at -1.83e+06
assign (resid 542 and name   HN) (resid 542 and name  HB1)  3.0  1.2  0.5 ! A.135  at  6.77e+06
assign (resid 542 and name   HA) (resid 543 and name   HN)  2.5  0.7  0.9 ! A.147  at  4.32e+07
assign (resid 542 and name  HB1) (resid 543 and name   HN)  3.0  1.2  0.5 ! A.148  at  7.90e+06
assign (resid 542 and name  HB2) (resid 543 and name   HN)  3.0  1.2  0.5 ! A.149  at  8.36e+06

! E543
assign (resid 543 and name   HA) (resid 543 and name  HG1)  3.0  1.2  0.3 ! A.138  at -2.55e+07
assign (resid 543 and name  HB1) (resid 543 and name   HN)  4.0  2.2  1.0 ! A.143  at -5.65e+06
assign (resid 543 and name  HG1) (resid 543 and name   HN)  3.0  1.2  0.5 ! A.146  at -1.52e+07
assign (resid 543 and name   HA) (resid 544 and name   HN)  3.0  1.2  0.5 ! A.140  at -1.41e+07
assign (resid 543 and name  HG1) (resid 544 and name   HN)  4.0  2.2  1.0 ! A.167  at  2.18e+06

! R544
assign (resid 544 and name   HA) (resid 544 and name  HD1)  3.0  1.2  0.3 ! A.154  at -2.35e+07
assign (resid 544 and name   HA) (resid 544 and name  HG1)  2.5  0.7  0.9 ! A.155  at -7.70e+07
assign (resid 544 and name  HB1) (resid 544 and name  HD1)  3.0  1.2  0.3 ! A.159  at -9.70e+06
assign (resid 544 and name   HN) (resid 544 and name  HB1)  4.0  2.2  1.0 ! A.169  at  4.71e+06
assign (resid 544 and name   HN) (resid 544 and name  HB2)  3.0  1.2  0.5 ! A.170  at  9.22e+06
assign (resid 544 and name   HN) (resid 544 and name  HG1)  4.0  2.2  1.0 ! A.171  at  5.19e+06

! R545
assign (resid 545 and name   HA) (resid 545 and name  HD1)  3.0  1.2  1.0 ! A.174  at -2.35e+07
assign (resid 545 and name   HA) (resid 545 and name  HG1)  2.5  0.7  0.9 ! A.175  at -6.66e+07
assign (resid 545 and name  HB1) (resid 545 and name  HD1)  3.0  1.2  0.3 ! A.180  at -9.70e+06
assign (resid 545 and name  HB1) (resid 545 and name   HN)  4.0  2.2  1.0 ! A.184  at -2.71e+06
assign (resid 545 and name  HB2) (resid 545 and name  HD1)  3.0  1.2  0.3 ! A.181  at -3.24e+07
assign (resid 545 and name  HB2) (resid 545 and name   HN)  4.0  2.2  1.0 ! A.185  at -3.92e+06
assign (resid 545 and name   HN) (resid 545 and name  HD1)  4.0  2.2  1.0 ! A.193  at  2.98e+06
assign (resid 545 and name   HN) (resid 545 and name  HG1)  3.0  1.2  0.5 ! A.194  at  1.45e+07
assign (resid 545 and name   HA) (resid 546 and name   HN)  3.0  1.2  0.5 ! A.177  at -1.15e+07
assign (resid 545 and name   HN) (resid 546 and name  HA1)  4.0  2.2  1.0 ! A.195  at  2.47e+06
assign (resid 545 and name  HB1) (resid 546 and name  HA1)  4.0  2.2  1.0 ! A.196  at -3.10e+06
assign (resid 545 and name  HB2) (resid 546 and name  HA1)  3.0  1.2  1.3 ! A.197  at -7.63e+06
assign (resid 545 and name  HG1) (resid 546 and name  HA1)  4.0  2.2  2.2 ! A.198  at -4.06e+06
assign (resid 545 and name  HB1) (resid 546 and name   HN)  4.0  2.2  1.0 ! A.205  at  2.40e+06
assign (resid 545 and name  HB2) (resid 546 and name   HN)  4.0  2.2  1.0 ! A.206  at  2.02e+06
assign (resid 545 and name  HG1) (resid 546 and name   HN)  4.0  2.2  1.0 ! A.207  at  2.48e+06

! G546
assign (resid 546 and name  HA1) (resid 547 and name   HN)  3.0  1.2  0.5 ! A.200  at -1.19e+07
assign (resid 546 and name   HN) (resid 547 and name  HB2)  4.0  2.2  2.0 ! A.209  at  9.20e+05
assign (resid 546 and name  HA1) (resid 548 and name HD1#)  4.0  2.2  1.5 ! A.201  at -2.14e+06
assign (resid 546 and name  HA1) (resid 555 and name  HB1)  3.0  1.2  0.3 ! A.202  at -7.17e+06
assign (resid 546 and name   HN) (resid 555 and name  HB1)  4.0  2.2  1.0 ! A.210  at  2.53e+06
assign (resid 546 and name  HA1) (resid 556 and name   HB)  4.0  2.2  1.4 ! A.203  at -2.09e+06
assign (resid 546 and name  HA1) (resid 556 and name   HN)  4.0  2.2  1.0 ! A.675  at  3.50e+06

! S547
assign (resid 547 and name  HB1) (resid 547 and name   HN)  3.0  1.2  0.9 ! A.220  at -1.54e+07
assign (resid 547 and name  HB2) (resid 547 and name   HN)  3.0  1.2  0.5 ! A.221  at -1.22e+07
assign (resid 547 and name   HA) (resid 548 and name  HB2)  4.0  2.2  1.0 ! A.214  at -5.23e+06
assign (resid 547 and name   HA) (resid 548 and name HD1#)  4.0  2.2  1.5 ! A.215  at -5.42e+06
assign (resid 547 and name   HA) (resid 548 and name HD2#)  4.0  2.2  1.5 ! A.216  at -2.05e+06
assign (resid 547 and name   HN) (resid 548 and name HD1#)  4.0  2.2  2.5 ! A.238  at  1.11e+06
assign (resid 547 and name   HA) (resid 548 and name   HN)  2.5  0.7  0.4 ! A.287  at  1.20e+08
assign (resid 547 and name  HB1) (resid 548 and name   HN)  3.0  1.2  0.7 ! A.288  at  1.99e+07
assign (resid 547 and name  HB2) (resid 548 and name   HN)  3.0  1.2  1.6 ! A.289  at  1.85e+07
assign (resid 547 and name  HB1) (resid 555 and name  HB1)  4.0  2.2  2.3 ! A.222  at -2.90e+06
assign (resid 547 and name  HB2) (resid 555 and name  HB1)  4.0  2.2  1.7 ! A.223  at -2.91e+06
assign (resid 547 and name   HN) (resid 555 and name  HB1)  4.0  2.2  1.0 ! A.239  at  3.84e+06
assign (resid 547 and name   HN) (resid 555 and name  HG1)  4.0  2.2  2.0 ! A.240  at  1.32e+06
assign (resid 547 and name  HB1) (resid 556 and name   HB)  3.0  1.2  0.3 ! A.224  at -1.82e+07
assign (resid 547 and name  HB1) (resid 556 and name HD1#)  3.0  1.2  0.8 ! A.226  at -7.84e+06
assign (resid 547 and name  HB1) (resid 556 and name HG2#)  4.0  2.2  1.5 ! A.228  at -2.74e+06
assign (resid 547 and name  HB2) (resid 556 and name   HB)  3.0  1.2  0.3 ! A.225  at -1.45e+07
assign (resid 547 and name  HB2) (resid 556 and name HD1#)  3.0  1.2  0.8 ! A.227  at -6.77e+06
assign (resid 547 and name  HB2) (resid 556 and name HG2#)  4.0  2.2  1.5 ! A.229  at -2.67e+06
assign (resid 547 and name   HN) (resid 556 and name   HB)  4.0  2.2  1.0 ! A.241  at  2.89e+06
assign (resid 547 and name  HB1) (resid 556 and name   HN)  4.0  2.2  1.0 ! A.676  at  4.04e+06
assign (resid 547 and name  HB2) (resid 556 and name   HN)  4.0  2.2  1.0 ! A.677  at  3.88e+06
assign (resid 547 and name   HA) (resid 567 and name  HE1)  4.0  2.2  1.7 ! A.217  at -4.47e+06
assign (resid 547 and name  HB1) (resid 567 and name  HE1)  4.0  2.2  1.0 ! A.230  at -3.57e+06
assign (resid 547 and name  HB1) (resid 567 and name  HG1)  4.0  2.2  1.0 ! A.232  at -4.51e+06
assign (resid 547 and name  HB2) (resid 567 and name  HE1)  4.0  2.2  1.0 ! A.231  at -2.07e+06
assign (resid 547 and name  HB2) (resid 567 and name  HG1)  4.0  2.2  1.0 ! A.233  at -2.27e+06
assign (resid 547 and name  HB1) (resid 567 and name  HD1)  4.0  2.2  1.0 ! A.1035 at -3.85e+06

! L548
assign (resid 548 and name   HA) (resid 548 and name HD1#)  3.0  1.2  0.8 ! A.243  at -2.96e+07
assign (resid 548 and name   HA) (resid 548 and name HD2#)  3.0  1.2  0.8 ! A.244  at -7.21e+06
assign (resid 548 and name   HA) (resid 548 and name   HG)  3.0  1.2  0.3 ! A.245  at -1.84e+07
assign (resid 548 and name  HB1) (resid 548 and name HD1#)  3.0  1.2  0.8 ! A.252  at -1.26e+07
assign (resid 548 and name  HB1) (resid 548 and name HD2#)  3.0  1.2  0.8 ! A.254  at -2.25e+07
assign (resid 548 and name  HB1) (resid 548 and name   HN)  3.0  1.2  0.5 ! A.257  at -1.28e+07
assign (resid 548 and name  HB2) (resid 548 and name HD1#)  3.0  1.2  0.8 ! A.253  at -1.66e+07
assign (resid 548 and name  HB2) (resid 548 and name HD2#)  3.0  1.2  0.8 ! A.255  at -1.55e+07
assign (resid 548 and name  HB2) (resid 548 and name   HN)  3.0  1.2  0.5 ! A.258  at -9.11e+06
assign (resid 548 and name HD1#) (resid 548 and name   HN)  3.0  1.2  1.0 ! A.265  at -2.02e+07
assign (resid 548 and name HD2#) (resid 548 and name   HN)  3.0  1.2  1.0 ! A.275  at -7.48e+06
assign (resid 548 and name   HG) (resid 548 and name   HN)  3.0  1.2  1.0 ! A.285  at -1.47e+07
assign (resid 548 and name   HA) (resid 549 and name   HN)  2.5  0.7  0.4 ! A.331  at  9.30e+07
assign (resid 548 and name  HB1) (resid 549 and name   HN)  3.0  1.2  0.5 ! A.332  at  1.86e+07
assign (resid 548 and name  HB2) (resid 549 and name   HN)  3.0  1.2  1.2 ! A.260  at -7.05e+06
assign (resid 548 and name HD1#) (resid 549 and name   HN)  3.0  1.2  1.2 ! A.266  at -1.34e+07
assign (resid 548 and name HD2#) (resid 549 and name   HN)  4.0  2.2  1.5 ! A.276  at -4.29e+06
assign (resid 548 and name   HA) (resid 549 and name  HB1)  4.0  2.2  1.0 ! A.305  at -4.18e+06
assign (resid 548 and name   HA) (resid 549 and name  HB2)  4.0  2.2  1.0 ! A.306  at -4.19e+06
assign (resid 548 and name  HB1) (resid 550 and name   HA)  4.0  2.2  1.0 ! A.348  at -5.56e+06
assign (resid 548 and name  HB2) (resid 550 and name   HA)  4.0  2.2  1.3 ! A.349  at -3.39e+06
assign (resid 548 and name  HB1) (resid 551 and name   HN)  4.0  2.2  1.4 ! A.402  at  2.73e+06
!assign (resid 548 and name HD1#) (resid 552 and name   HN)  4.0  2.2  2.9 ! A.431  at  1.54e+06
assign (resid 548 and name  HB1) (resid 553 and name   HA)  3.0  1.2  0.3 ! A.261  at -6.27e+06
assign (resid 548 and name  HB2) (resid 553 and name   HA)  3.0  1.2  0.7 ! A.262  at -8.92e+06
assign (resid 548 and name HD1#) (resid 553 and name   HA)  3.0  1.2  1.5 ! A.445  at -6.28e+06
assign (resid 548 and name HD2#) (resid 553 and name   HA)  3.0  1.2  0.8 ! A.277  at -9.54e+06
assign (resid 548 and name HD2#) (resid 553 and name  HB1)  3.0  1.2  0.8 ! A.278  at -1.35e+07
assign (resid 548 and name HD2#) (resid 553 and name  HG1)  3.0  1.2  0.8 ! A.279  at -8.22e+06
assign (resid 548 and name   HG) (resid 553 and name   HA)  4.0  2.2  2.0 ! A.286  at -1.68e+06
assign (resid 548 and name HD1#) (resid 553 and name  HB1)  4.0  2.2  2.5 ! A.452  at -1.23e+06
assign (resid 548 and name HD2#) (resid 553 and name  HG2)  4.0  2.2  1.5 ! A.458  at -4.40e+06
!assign (resid 548 and name  HB1) (resid 553 and name HE21)  4.0  2.2  1.0 ! A.483  at  1.85e+06
!assign (resid 548 and name HD2#) (resid 553 and name HE21)  4.0  2.2  1.5 ! A.486  at  2.13e+06
!assign (resid 548 and name  HB1) (resid 553 and name HE22)  4.0  2.2  1.0 ! A.484  at  2.27e+06
!assign (resid 548 and name HD1#) (resid 553 and name HE22)  4.0  2.2  2.8 ! A.485  at  9.98e+05
!assign (resid 548 and name HD2#) (resid 553 and name HE22)  4.0  2.2  2.5 ! A.487  at  1.37e+06
assign (resid 548 and name  HB1) (resid 553 and name   HN)  3.0  1.2  0.5 ! A.467  at  6.96e+06
assign (resid 548 and name  HB2) (resid 553 and name   HN)  4.0  2.2  1.3 ! A.468  at  4.66e+06
assign (resid 548 and name HD1#) (resid 553 and name   HN)  4.0  2.2  1.8 ! A.469  at  3.32e+06
assign (resid 548 and name HD2#) (resid 553 and name   HN)  4.0  2.2  1.5 ! A.470  at  1.88e+06
assign (resid 548 and name HD1#) (resid 554 and name   HA)  3.0  1.2  0.8 ! A.268  at -1.46e+07
assign (resid 548 and name HD2#) (resid 554 and name   HA)  4.0  2.2  1.5 ! A.280  at -4.99e+06
assign (resid 548 and name   HA) (resid 554 and name   HN)  4.0  2.2  1.0 ! A.539  at  2.66e+06
assign (resid 548 and name  HB2) (resid 554 and name   HN)  3.0  1.2  1.8 ! A.540  at  6.23e+06
assign (resid 548 and name HD1#) (resid 554 and name   HN)  3.0  1.2  1.3 ! A.541  at  6.89e+06
assign (resid 548 and name HD2#) (resid 554 and name   HN)  4.0  2.2  1.5 ! A.542  at  4.58e+06
assign (resid 548 and name HD1#) (resid 555 and name  HD1)  3.0  1.2  0.8 ! A.269  at -9.72e+06
assign (resid 548 and name HD1#) (resid 555 and name  HD2)  3.0  1.2  0.8 ! A.270  at -1.18e+07
assign (resid 548 and name HD1#) (resid 555 and name  HG1)  3.0  1.2  0.8 ! A.271  at -1.60e+07
assign (resid 548 and name HD1#) (resid 555 and name  HG2)  3.0  1.2  1.1 ! A.272  at -9.89e+06
assign (resid 548 and name   HA) (resid 555 and name   HA)  3.0  1.2  0.3 ! A.561  at -3.76e+07
assign (resid 548 and name HD1#) (resid 555 and name   HA)  3.0  1.2  0.8 ! A.562  at -2.98e+07
assign (resid 548 and name   HG) (resid 555 and name   HA)  3.0  1.2  0.7 ! A.563  at -7.94e+06
assign (resid 548 and name HD1#) (resid 555 and name  HB1)  3.0  1.2  0.8 ! A.573  at -6.98e+06
assign (resid 548 and name HD1#) (resid 555 and name  HB2)  4.0  2.2  1.5 ! A.574  at -4.20e+06
assign (resid 548 and name   HA) (resid 556 and name HD1#)  4.0  2.2  1.5 ! A.248  at -2.04e+06
assign (resid 548 and name   HA) (resid 556 and name HG12)  4.0  2.2  1.0 ! A.249  at -2.48e+06
assign (resid 548 and name   HA) (resid 556 and name   HN)  3.0  1.2  0.8 ! A.678  at  2.38e+07

! C549
assign (resid 549 and name  HB1) (resid 549 and name   HN)  3.0  1.2  0.5 ! A.311  at -1.71e+07
assign (resid 549 and name  HB2) (resid 549 and name   HN)  3.0  1.2  0.5 ! A.312  at -1.53e+07
assign (resid 549 and name   HA) (resid 550 and name  HB2)  3.0  1.2  1.7 ! A.298  at -8.25e+06
assign (resid 549 and name   HA) (resid 550 and name   HN)  2.5  0.7  0.4 ! A.374  at  1.09e+08
assign (resid 549 and name  HB1) (resid 550 and name   HN)  4.0  2.2  2.0 ! A.313  at -1.62e+06
assign (resid 549 and name  HB2) (resid 550 and name   HN)  3.0  1.2  1.1 ! A.375  at  1.24e+07
assign (resid 549 and name   HN) (resid 550 and name   HN)  3.0  1.2  1.4 ! A.376  at  6.50e+06
assign (resid 549 and name   HN) (resid 550 and name   HA)  4.0  2.2  1.0 ! A.350  at -1.92e+06
assign (resid 549 and name  HB1) (resid 551 and name   HN)  4.0  2.2  2.0 ! A.315  at -1.67e+06
assign (resid 549 and name  HB2) (resid 551 and name   HN)  4.0  2.2  2.7 ! A.316  at -2.17e+06
assign (resid 549 and name  HB1) (resid 552 and name   HN)  3.0  1.2  0.7 ! A.432  at  1.76e+07
assign (resid 549 and name  HB1) (resid 553 and name   HA)  4.0  2.2  2.0 ! A.318  at -1.57e+06
assign (resid 549 and name  HB1) (resid 553 and name   HN)  3.0  1.2  1.0 ! A.471  at  1.42e+07
assign (resid 549 and name   HN) (resid 553 and name   HA)  4.0  2.2  1.0 ! A.340  at  2.77e+06
assign (resid 549 and name   HN) (resid 553 and name   HN)  4.0  2.2  2.0 ! A.341  at  1.67e+06
assign (resid 549 and name   HN) (resid 554 and name   HA)  4.0  2.2  1.0 ! A.342  at  2.06e+06
assign (resid 549 and name  HB1) (resid 554 and name   HN)  3.0  1.2  0.5 ! A.543  at  2.42e+07
assign (resid 549 and name   HN) (resid 555 and name   HA)  4.0  2.2  1.0 ! A.564  at -4.77e+06
assign (resid 549 and name   HA) (resid 556 and name HD1#)  3.0  1.2  0.8 ! A.300  at -3.38e+07
assign (resid 549 and name   HA) (resid 556 and name HG11)  3.0  1.2  0.5 ! A.301  at -5.92e+06
assign (resid 549 and name   HA) (resid 556 and name HG12)  4.0  2.2  1.0 ! A.302  at -3.23e+06
assign (resid 549 and name  HB1) (resid 556 and name HD1#)  3.0  1.2  0.8 ! A.320  at -6.43e+06
assign (resid 549 and name  HB1) (resid 556 and name HG11)  4.0  2.2  1.0 ! A.322  at -4.33e+06
assign (resid 549 and name  HB1) (resid 556 and name HG12)  4.0  2.2  1.0 ! A.324  at -3.45e+06
assign (resid 549 and name  HB1) (resid 556 and name HG2#)  4.0  2.2  2.5 ! A.326  at -1.77e+06
assign (resid 549 and name  HB2) (resid 556 and name HD1#)  3.0  1.2  0.8 ! A.321  at -6.23e+06
assign (resid 549 and name  HB2) (resid 556 and name HG11)  3.0  1.2  0.3 ! A.323  at -7.46e+06
assign (resid 549 and name  HB2) (resid 556 and name HG12)  3.0  1.2  0.3 ! A.325  at -5.95e+06
assign (resid 549 and name   HN) (resid 556 and name HD1#)  3.0  1.2  1.0 ! A.343  at  1.48e+07
assign (resid 549 and name   HN) (resid 556 and name HG11)  3.0  1.2  0.5 ! A.344  at  1.11e+07
assign (resid 549 and name   HN) (resid 556 and name HG12)  3.0  1.2  1.1 ! A.345  at  7.19e+06
assign (resid 549 and name  HB2) (resid 556 and name   HA)  4.0  2.2  1.0 ! A.617  at -2.77e+06
assign (resid 549 and name   HA) (resid 568 and name   HA)  3.0  1.2  0.3 ! A.303  at -9.49e+06
assign (resid 549 and name  HB1) (resid 568 and name   HA)  4.0  2.2  1.0 ! A.1071 at -3.86e+06
assign (resid 549 and name  HB2) (resid 568 and name   HA)  4.0  2.2  1.0 ! A.328  at -2.02e+06
assign (resid 549 and name   HN) (resid 568 and name   HA)  4.0  2.2  1.0 ! A.346  at  2.03e+06
assign (resid 549 and name   HA) (resid 568 and name   HN)  4.0  2.2  1.0 ! A.1108 at  5.41e+06
assign (resid 549 and name   HA) (resid 569 and name   HN)  3.0  1.2  0.5 ! A.1140 at  1.03e+07
assign (resid 549 and name  HB1) (resid 569 and name   HN)  4.0  2.2  1.0 ! A.329  at -2.44e+06
assign (resid 549 and name  HB2) (resid 569 and name   HN)  4.0  2.2  1.0 ! A.330  at -4.28e+06
assign (resid 549 and name   HN) (resid 569 and name   HN)  4.0  2.2  1.0 ! A.347  at  2.94e+06

! S550
assign (resid 550 and name  HB1) (resid 550 and name   HN)  3.0  1.2  0.7 ! A.363  at -1.18e+07
assign (resid 550 and name  HB2) (resid 550 and name   HN)  3.0  1.2  0.5 ! A.364  at -2.38e+07
assign (resid 550 and name   HA) (resid 551 and name   HN)  3.0  1.2  0.5 ! A.354  at -6.70e+06
assign (resid 550 and name  HB1) (resid 551 and name   HN)  3.0  1.2  0.5 ! A.404  at  1.32e+07
assign (resid 550 and name  HB2) (resid 551 and name   HN)  3.0  1.2  1.2 ! A.405  at  1.08e+07
assign (resid 550 and name   HN) (resid 551 and name  HA2)  4.0  2.2  2.3 ! A.380  at  3.23e+06
assign (resid 550 and name   HN) (resid 551 and name   HN)  3.0  1.2  1.5 ! A.406  at  1.42e+07
assign (resid 550 and name   HA) (resid 552 and name   HN)  4.0  2.2  1.0 ! A.355  at -1.81e+06
assign (resid 550 and name   HN) (resid 552 and name   HN)  4.0  2.2  1.0 ! A.382  at  3.10e+06
assign (resid 550 and name   HA) (resid 553 and name  HG1)  4.0  2.2  1.0 ! A.356  at -4.52e+06
assign (resid 550 and name   HA) (resid 553 and name   HN)  4.0  2.2  1.0 ! A.357  at -4.04e+06
assign (resid 550 and name   HN) (resid 553 and name   HN)  4.0  2.2  2.0 ! A.383  at  1.65e+06
assign (resid 550 and name   HA) (resid 553 and name HE21)  4.0  2.2  1.0 ! A.488  at  6.66e+06
!assign (resid 550 and name  HB1) (resid 553 and name HE21)  4.0  2.2  1.0 ! A.490  at  1.96e+06
!assign (resid 550 and name  HB2) (resid 553 and name HE21)  4.0  2.2  2.0 ! A.492  at  1.41e+06
assign (resid 550 and name   HA) (resid 553 and name HE22)  4.0  2.2  1.0 ! A.489  at  1.13e+07
!assign (resid 550 and name  HB1) (resid 553 and name HE22)  4.0  2.2  2.0 ! A.491  at  1.54e+06
!assign (resid 550 and name  HB2) (resid 553 and name HE22)  4.0  2.2  2.0 ! A.493  at  1.29e+06
assign (resid 550 and name   HA) (resid 556 and name HD1#)  4.0  2.2  1.8 ! A.358  at -1.82e+06
assign (resid 550 and name  HB2) (resid 556 and name HD1#)  4.0  2.2  1.7 ! A.367  at -3.12e+06
assign (resid 550 and name   HN) (resid 556 and name HD1#)  3.0  1.2  1.0 ! A.384  at  2.31e+07
assign (resid 550 and name   HN) (resid 556 and name HG11)  4.0  2.2  1.6 ! A.385  at  3.27e+06
assign (resid 550 and name   HN) (resid 556 and name HG12)  4.0  2.2  2.0 ! A.386  at  1.73e+06
assign (resid 550 and name   HA) (resid 566 and name  HB1)  4.0  2.2  1.0 ! A.359  at -2.07e+06
assign (resid 550 and name  HB1) (resid 566 and name  HB1)  3.0  1.2  0.3 ! A.368  at -1.35e+07
assign (resid 550 and name  HB1) (resid 566 and name  HD2)  3.0  1.2  0.3 ! A.370  at -1.04e+07
assign (resid 550 and name  HB2) (resid 566 and name  HB1)  3.0  1.2  0.3 ! A.369  at -1.12e+07
assign (resid 550 and name  HB2) (resid 566 and name  HD2)  3.0  1.2  0.3 ! A.371  at -1.28e+07
assign (resid 550 and name   HN) (resid 566 and name  HB1)  4.0  2.2  1.0 ! A.387  at  3.79e+06
assign (resid 550 and name  HB1) (resid 566 and name   HA)  4.0  2.2  1.0 ! A.977  at -2.13e+06
assign (resid 550 and name  HB1) (resid 566 and name  HD1)  4.0  2.2  1.0 ! A.990  at -3.75e+06
assign (resid 550 and name  HB1) (resid 567 and name   HN)  4.0  2.2  1.0 ! A.372  at -3.64e+06
assign (resid 550 and name  HB2) (resid 567 and name   HN)  3.0  1.2  1.0 ! A.1057 at  1.37e+07
assign (resid 550 and name   HN) (resid 567 and name  HB1)  3.0  1.2  0.8 ! A.388  at  6.36e+06
assign (resid 550 and name   HN) (resid 567 and name   HN)  3.0  1.2  0.5 ! A.1058 at  7.01e+06
assign (resid 550 and name   HN) (resid 568 and name   HA)  3.0  1.2  0.5 ! A.389  at  1.93e+07
assign (resid 550 and name  HB2) (resid 568 and name   HA)  4.0  2.2  1.0 ! A.1073 at -2.33e+06
assign (resid 550 and name   HN) (resid 569 and name   HN)  4.0  2.2  1.0 ! A.390  at  2.61e+06

! G551
assign (resid 551 and name  HA1) (resid 552 and name   HN)  3.0  1.2  0.5 ! A.395  at -9.57e+06
assign (resid 551 and name  HA2) (resid 552 and name   HN)  3.0  1.2  0.5 ! A.396  at -8.55e+06
assign (resid 551 and name   HN) (resid 552 and name   HA)  4.0  2.2  2.0 ! A.409  at  9.18e+05
assign (resid 551 and name   HN) (resid 552 and name   HN)  3.0  1.2  0.5 ! A.410  at  4.23e+07
assign (resid 551 and name   HN) (resid 552 and name  HB2)  4.0  2.2  1.0 ! A.419  at -2.17e+06
assign (resid 551 and name  HA1) (resid 553 and name   HN)  4.0  2.2  1.0 ! A.397  at -2.57e+06
assign (resid 551 and name   HN) (resid 553 and name  HG1)  4.0  2.2  1.0 ! A.411  at  7.91e+06
assign (resid 551 and name   HN) (resid 553 and name   HN)  3.0  1.2  0.5 ! A.412  at  1.21e+07
assign (resid 551 and name  HA1) (resid 553 and name HE21)  4.0  2.2  2.0 ! A.494  at  1.07e+06
assign (resid 551 and name  HA1) (resid 553 and name HE22)  4.0  2.2  1.0 ! A.495  at  2.11e+06
assign (resid 551 and name   HN) (resid 554 and name   HN)  4.0  2.2  2.0 ! A.413  at  9.88e+05
assign (resid 551 and name   HN) (resid 556 and name HD1#)  4.0  2.2  2.9 ! A.414  at  3.72e+06
!assign (resid 551 and name   HN) (resid 566 and name  HB1)  4.0  2.2  2.0 ! A.415  at  1.55e+06
assign (resid 551 and name   HN) (resid 568 and name   HA)  4.0  2.2  1.9 ! A.416  at  5.70e+06
assign (resid 551 and name  HA1) (resid 572 and name  HB1)  4.0  2.2  1.0 ! A.398  at -4.64e+06
assign (resid 551 and name  HA1) (resid 572 and name  HB2)  4.0  2.2  1.5 ! A.400  at -3.90e+06
assign (resid 551 and name  HA2) (resid 572 and name  HB1)  4.0  2.2  2.4 ! A.399  at -3.59e+06
!assign (resid 551 and name  HA2) (resid 572 and name  HB2)  4.0  2.2  2.8 ! A.401  at -4.07e+06
!assign (resid 551 and name   HN) (resid 572 and name  HB1)  4.0  2.2  3.0 ! A.417  at  4.89e+06 !! removed
!assign (resid 551 and name   HN) (resid 572 and name  HB2)  4.0  2.2  2.9 ! A.418  at  4.58e+06

! C552
assign (resid 552 and name  HB1) (resid 552 and name   HN)  3.0  1.2  0.5 ! A.424  at -5.81e+06
assign (resid 552 and name  HB2) (resid 552 and name   HN)  3.0  1.2  0.5 ! A.425  at -8.84e+06
assign (resid 552 and name  HB1) (resid 553 and name   HN)  4.0  2.2  1.0 ! A.476  at  4.92e+06
assign (resid 552 and name  HB2) (resid 553 and name   HN)  4.0  2.2  1.0 ! A.427  at -4.27e+06
assign (resid 552 and name   HN) (resid 553 and name   HN)  2.5  0.7  0.4 ! A.440  at  4.72e+07
assign (resid 552 and name   HN) (resid 553 and name   HA)  3.0  1.2  1.3 ! A.447  at -7.07e+06
assign (resid 552 and name   HA) (resid 553 and name   HN)  3.0  1.2  0.5 ! A.475  at  1.12e+07
assign (resid 552 and name  HB1) (resid 554 and name  HD1)  4.0  2.2  1.5 ! A.428  at -2.69e+06
assign (resid 552 and name  HB1) (resid 554 and name  HG2)  4.0  2.2  1.0 ! A.429  at -2.67e+06
assign (resid 552 and name  HB1) (resid 554 and name   HN)  4.0  2.2  1.0 ! A.430  at -1.89e+06
assign (resid 552 and name   HN) (resid 554 and name   HN)  3.0  1.2  0.9 ! A.546  at  6.21e+06
assign (resid 552 and name   HA) (resid 554 and name   HN)  4.0  2.2  1.0 ! A.544  at  2.43e+06
assign (resid 552 and name   HN) (resid 556 and name HD1#)  4.0  2.2  1.8 ! A.442  at  1.90e+06
assign (resid 552 and name   HN) (resid 568 and name   HA)  4.0  2.2  1.0 ! A.443  at  1.82e+06
!assign (resid 552 and name   HN) (resid 569 and name  HB1)  4.0  2.2  2.9 ! A.1126 at -2.09e+06
assign (resid 552 and name   HN) (resid 569 and name  HB2)  4.0  2.2  2.3 ! A.1127 at -4.78e+06
assign (resid 552 and name   HN) (resid 569 and name   HN)  4.0  2.2  1.2 ! A.1142 at  3.41e+06
assign (resid 552 and name   HN) (resid 572 and name  HB1)  4.0  2.2  2.0 ! A.1268 at -1.48e+06
assign (resid 552 and name   HN) (resid 572 and name  HB2)  4.0  2.2  2.0 ! A.1269 at -1.25e+06

! Q553
assign (resid 553 and name   HA) (resid 553 and name  HG1)  2.5  0.7  0.2 ! A.448  at -5.28e+07
assign (resid 553 and name   HA) (resid 553 and name  HG2)  3.0  1.2  0.7 ! A.449  at -1.85e+07
assign (resid 553 and name  HB1) (resid 553 and name   HN)  4.0  2.2  1.0 ! A.456  at -4.70e+06
assign (resid 553 and name  HG1) (resid 553 and name HE21)  3.0  1.2  0.3 ! A.461  at -9.37e+06
assign (resid 553 and name  HG1) (resid 553 and name HE22)  4.0  2.2  1.0 ! A.463  at -3.03e+06
assign (resid 553 and name  HG1) (resid 553 and name   HN)  3.0  1.2  0.9 ! A.465  at -9.08e+06
assign (resid 553 and name  HG2) (resid 553 and name HE21)  3.0  1.2  0.6 ! A.462  at -8.83e+06
assign (resid 553 and name  HG2) (resid 553 and name HE22)  4.0  2.2  1.0 ! A.464  at -2.49e+06
assign (resid 553 and name  HG2) (resid 553 and name   HN)  3.0  1.2  1.3 ! A.466  at -8.73e+06
assign (resid 553 and name HE21) (resid 553 and name   HA)  4.0  2.2  1.0 ! A.496  at  3.18e+06
assign (resid 553 and name HE21) (resid 553 and name   HN)  4.0  2.2  1.0 ! A.500  at  2.30e+06
assign (resid 553 and name HE22) (resid 553 and name   HA)  4.0  2.2  1.0 ! A.497  at  2.27e+06
assign (resid 553 and name HE22) (resid 553 and name   HN)  4.0  2.2  2.0 ! A.501  at  1.60e+06
assign (resid 553 and name   HA) (resid 554 and name   HN)  3.0  1.2  0.5 ! A.451  at -1.23e+07
assign (resid 553 and name   HN) (resid 554 and name   HN)  3.0  1.2  0.5 ! A.481  at  2.49e+07
assign (resid 553 and name  HB1) (resid 554 and name   HN)  3.0  1.2  1.4 ! A.548  at  1.34e+07
assign (resid 553 and name   HN) (resid 556 and name HD1#)  4.0  2.2  1.9 ! A.482  at  2.01e+06


! K554
assign (resid 554 and name   HA) (resid 554 and name  HD1)  3.0  1.2  0.3 ! A.506  at -1.94e+07
assign (resid 554 and name   HA) (resid 554 and name  HG1)  3.0  1.2  0.8 ! A.507  at -8.11e+06
assign (resid 554 and name   HA) (resid 554 and name  HG2)  3.0  1.2  0.3 ! A.508  at -1.55e+07
assign (resid 554 and name  HB1) (resid 554 and name   HN)  4.0  2.2  1.0 ! A.517  at -4.07e+06
assign (resid 554 and name  HD1) (resid 554 and name   HN)  4.0  2.2  1.0 ! A.524  at -4.03e+06
assign (resid 554 and name  HD2) (resid 554 and name   HA)  3.0  1.2  0.3 ! A.523  at -1.28e+07
assign (resid 554 and name  HD2) (resid 554 and name   HN)  4.0  2.2  1.0 ! A.525  at -3.18e+06
assign (resid 554 and name  HG1) (resid 554 and name   HN)  4.0  2.2  1.0 ! A.533  at -5.35e+06
assign (resid 554 and name  HG2) (resid 554 and name   HN)  3.0  1.2  0.5 ! A.534  at -5.72e+06
assign (resid 554 and name   HN) (resid 554 and name  HB2)  3.0  1.2  0.5 ! A.552  at  2.99e+07
assign (resid 554 and name   HA) (resid 555 and name  HD1)  3.0  1.2  0.3 ! A.510  at -3.41e+07
assign (resid 554 and name   HA) (resid 555 and name  HD2)  2.5  0.7  0.2 ! A.511  at -4.66e+07
assign (resid 554 and name  HB1) (resid 555 and name  HD1)  3.0  1.2  0.9 ! A.518  at -1.31e+07
assign (resid 554 and name  HB1) (resid 555 and name  HD2)  3.0  1.2  0.3 ! A.520  at -1.12e+07
assign (resid 554 and name  HB2) (resid 555 and name  HD1)  3.0  1.2  1.8 ! A.519  at -1.16e+07
assign (resid 554 and name  HB2) (resid 555 and name  HD2)  4.0  2.2  1.0 ! A.521  at -5.37e+06
assign (resid 554 and name  HD2) (resid 555 and name  HD1)  4.0  2.2  1.0 ! A.526  at -3.35e+06
assign (resid 554 and name  HG1) (resid 555 and name  HD1)  4.0  2.2  1.6 ! A.535  at -3.25e+06
assign (resid 554 and name  HG1) (resid 555 and name  HD2)  4.0  2.2  1.0 ! A.537  at -2.69e+06
assign (resid 554 and name  HG2) (resid 555 and name  HD1)  4.0  2.2  1.0 ! A.536  at -3.54e+06
assign (resid 554 and name  HG2) (resid 555 and name  HD2)  4.0  2.2  1.0 ! A.538  at -4.28e+06
assign (resid 554 and name   HN) (resid 555 and name   HA)  4.0  2.2  1.0 ! A.556  at  2.21e+06
assign (resid 554 and name   HN) (resid 555 and name  HD1)  3.0  1.2  1.8 ! A.557  at  3.87e+07
assign (resid 554 and name   HN) (resid 555 and name  HD2)  4.0  2.2  1.0 ! A.558  at  3.02e+06
assign (resid 554 and name   HA) (resid 555 and name  HG1)  4.0  2.2  1.0 ! A.602  at -4.25e+06
assign (resid 554 and name   HA) (resid 555 and name  HG2)  4.0  2.2  1.0 ! A.603  at -5.09e+06
assign (resid 554 and name   HN) (resid 556 and name HD1#)  4.0  2.2  1.5 ! A.559  at  1.88e+06
assign (resid 554 and name   HN) (resid 556 and name HG12)  4.0  2.2  2.0 ! A.560  at  1.34e+06

! P555
assign (resid 555 and name   HA) (resid 555 and name  HD1)  4.0  2.2  1.0 ! A.567  at -4.37e+06
assign (resid 555 and name   HA) (resid 555 and name  HD2)  4.0  2.2  1.0 ! A.568  at -3.70e+06
assign (resid 555 and name   HA) (resid 555 and name  HG1)  3.0  1.2  0.3 ! A.569  at -8.46e+06
assign (resid 555 and name   HA) (resid 555 and name  HG2)  3.0  1.2  0.9 ! A.570  at -8.41e+06
assign (resid 555 and name  HB1) (resid 555 and name  HD1)  3.0  1.2  1.1 ! A.579  at -1.28e+07
assign (resid 555 and name  HB1) (resid 555 and name  HD2)  3.0  1.2  1.2 ! A.581  at -1.32e+07
assign (resid 555 and name  HB2) (resid 555 and name  HD1)  3.0  1.2  1.1 ! A.580  at -7.87e+06
assign (resid 555 and name   HA) (resid 556 and name HG11)  3.0  1.2  0.6 ! A.571  at -6.23e+06
assign (resid 555 and name   HA) (resid 556 and name HG12)  4.0  2.2  1.3 ! A.572  at -2.91e+06
assign (resid 555 and name  HB1) (resid 556 and name   HN)  3.0  1.2  0.5 ! A.582  at -8.02e+06
assign (resid 555 and name  HB2) (resid 556 and name   HN)  3.0  1.2  0.5 ! A.681  at  1.62e+07
assign (resid 555 and name   HA) (resid 556 and name   HA)  4.0  2.2  1.0 ! A.618  at -3.01e+06
assign (resid 555 and name   HA) (resid 556 and name   HB)  4.0  2.2  1.0 ! A.626  at -4.62e+06
assign (resid 555 and name  HB1) (resid 556 and name   HB)  4.0  2.2  1.3 ! A.627  at -6.43e+06
assign (resid 555 and name   HA) (resid 556 and name   HN)  2.5  0.7  0.4 ! A.679  at  1.25e+08
assign (resid 555 and name  HG2) (resid 556 and name   HN)  4.0  2.2  1.3 ! A.682  at  3.77e+06
assign (resid 555 and name  HB1) (resid 557 and name HG2#)  3.0  1.2  1.0 ! A.584  at -7.31e+06
assign (resid 555 and name  HB2) (resid 557 and name HG2#)  3.0  1.2  0.8 ! A.585  at -2.56e+07
assign (resid 555 and name  HG1) (resid 557 and name HG2#)  4.0  2.2  2.5 ! A.615  at -1.67e+06
assign (resid 555 and name  HG2) (resid 557 and name HG2#)  4.0  2.2  1.5 ! A.616  at -2.26e+06

! I556
assign (resid 556 and name   HA) (resid 556 and name HD1#)  4.0  2.2  1.5 ! A.620  at -4.98e+06
assign (resid 556 and name   HA) (resid 556 and name HG11)  3.0  1.2  0.3 ! A.621  at -8.54e+06
assign (resid 556 and name   HA) (resid 556 and name HG12)  3.0  1.2  0.3 ! A.622  at -1.21e+07
assign (resid 556 and name   HA) (resid 556 and name HG2#)  3.0  1.2  0.8 ! A.623  at -2.10e+07
assign (resid 556 and name   HB) (resid 556 and name HD1#)  3.0  1.2  0.8 ! A.629  at -2.34e+07
assign (resid 556 and name   HB) (resid 556 and name   HN)  3.0  1.2  0.5 ! A.633  at -2.11e+07
assign (resid 556 and name HD1#) (resid 556 and name   HN)  3.0  1.2  1.0 ! A.641  at -1.21e+07
assign (resid 556 and name HG11) (resid 556 and name   HN)  3.0  1.2  0.5 ! A.658  at -9.79e+06
assign (resid 556 and name HG12) (resid 556 and name   HN)  4.0  2.2  1.0 ! A.659  at -5.35e+06
assign (resid 556 and name HG2#) (resid 556 and name   HN)  3.0  1.2  1.0 ! A.665  at -1.05e+07
assign (resid 556 and name HG2#) (resid 557 and name   HA)  3.0  1.2  1.1 ! A.666  at -6.50e+06
assign (resid 556 and name HG2#) (resid 557 and name   HB)  4.0  2.2  2.5 ! A.693  at -1.68e+06
assign (resid 556 and name HG2#) (resid 558 and name   HN)  3.0  1.2  1.0 ! A.707  at  9.56e+06
assign (resid 556 and name HG2#) (resid 558 and name  HA1)  4.0  2.2  2.5 ! A.698  at -8.34e+05
assign (resid 556 and name HD1#) (resid 560 and name   HA)  3.0  1.2  0.8 ! A.739  at -8.25e+06
assign (resid 556 and name HG2#) (resid 560 and name   HA)  3.0  1.2  0.8 ! A.668  at -1.20e+07
assign (resid 556 and name HG2#) (resid 560 and name   HN)  4.0  2.2  1.5 ! A.669  at -3.52e+06
assign (resid 556 and name HD1#) (resid 560 and name  HB1)  3.0  1.2  0.8 ! A.749  at -1.09e+07
assign (resid 556 and name HG2#) (resid 560 and name  HB1)  3.0  1.2  0.8 ! A.751  at -2.31e+07
assign (resid 556 and name   HB) (resid 560 and name  HB2)  4.0  2.2  1.0 ! A.748  at -3.27e+06
assign (resid 556 and name HD1#) (resid 560 and name  HB2)  3.0  1.2  0.8 ! A.750  at -1.15e+07
assign (resid 556 and name HG2#) (resid 560 and name  HB2)  3.0  1.2  0.8 ! A.752  at -1.76e+07
assign (resid 556 and name HD1#) (resid 560 and name   HN)  4.0  2.2  1.5 ! A.763  at  2.20e+06
assign (resid 556 and name HG2#) (resid 561 and name   HN)  4.0  2.2  1.5 ! A.670  at -5.23e+06
assign (resid 556 and name HD1#) (resid 567 and name   HA)  3.0  1.2  1.0 ! A.1016 at -7.69e+06
assign (resid 556 and name HD1#) (resid 567 and name  HB1)  4.0  2.2  1.5 ! A.1027 at -5.34e+06
assign (resid 556 and name HD1#) (resid 567 and name  HB2)  4.0  2.2  1.5 ! A.1028 at -5.54e+06
assign (resid 556 and name HD1#) (resid 567 and name  HD1)  4.0  2.2  1.5 ! A.1036 at -2.18e+06
assign (resid 556 and name HD1#) (resid 567 and name  HD2)  4.0  2.2  1.5 ! A.1037 at -2.99e+06
assign (resid 556 and name HD1#) (resid 567 and name  HE1)  4.0  2.2  1.5 ! A.1045 at -3.73e+06
assign (resid 556 and name HD1#) (resid 567 and name  HG1)  4.0  2.2  1.5 ! A.1051 at -2.86e+06
assign (resid 556 and name HD1#) (resid 567 and name   HN)  3.0  1.2  1.5 ! A.1059 at  6.00e+06
assign (resid 556 and name HD1#) (resid 568 and name   HA)  3.0  1.2  0.8 ! A.644  at -1.30e+07
assign (resid 556 and name HG11) (resid 568 and name   HA)  4.0  2.2  1.4 ! A.1075 at -2.33e+06
assign (resid 556 and name HG12) (resid 568 and name   HA)  4.0  2.2  2.0 ! A.1076 at -1.79e+06
assign (resid 556 and name HG2#) (resid 568 and name   HA)  4.0  2.2  2.5 ! A.1077 at -1.63e+06
assign (resid 556 and name HD1#) (resid 568 and name   HN)  3.0  1.2  1.0 ! A.1109 at  2.44e+07
assign (resid 556 and name HG2#) (resid 568 and name   HN)  4.0  2.2  1.5 ! A.1110 at  3.55e+06
assign (resid 556 and name HD1#) (resid 569 and name   HA)  4.0  2.2  1.5 ! A.645  at -2.45e+06
assign (resid 556 and name HD1#) (resid 569 and name   HN)  3.0  1.2  1.0 ! A.646  at -8.50e+06
assign (resid 556 and name HG2#) (resid 569 and name   HA)  3.0  1.2  0.8 ! A.671  at -7.62e+06
assign (resid 556 and name HG2#) (resid 569 and name   HN)  4.0  2.2  1.5 ! A.672  at -1.87e+06
assign (resid 556 and name HG11) (resid 569 and name   HN)  4.0  2.2  1.0 ! A.1144 at  4.64e+06
assign (resid 556 and name HG12) (resid 569 and name   HN)  4.0  2.2  1.0 ! A.1145 at  5.08e+06
assign (resid 556 and name HG2#) (resid 570 and name  HD2)  4.0  2.2  1.5 ! A.673  at -3.74e+06
assign (resid 556 and name HG2#) (resid 570 and name  HG1)  3.0  1.2  0.8 ! A.674  at -7.60e+06
assign (resid 556 and name HD1#) (resid 570 and name  HD1)  4.0  2.2  1.5 ! A.1185 at -1.94e+06
assign (resid 556 and name HG2#) (resid 570 and name  HD1)  4.0  2.2  2.5 ! A.1186 at -5.16e+05

! T557
assign (resid 557 and name   HA) (resid 557 and name HG2#)  2.5  0.7  0.7 ! A.691  at -7.98e+07
assign (resid 557 and name   HA) (resid 558 and name   HN)  3.0  1.2  0.5 ! A.692  at -9.63e+06
assign (resid 557 and name HG2#) (resid 558 and name  HA1)  4.0  2.2  2.5 ! A.699  at -1.58e+06
assign (resid 557 and name HG2#) (resid 558 and name  HA2)  4.0  2.2  1.7 ! A.700  at -2.78e+06
assign (resid 557 and name   HB) (resid 558 and name   HN)  4.0  2.2  1.0 ! A.709  at  5.54e+06
assign (resid 557 and name HG2#) (resid 558 and name   HN)  4.0  2.2  1.5 ! A.710  at  5.20e+06

! G558
assign (resid 558 and name  HA1) (resid 559 and name   HN)  3.0  1.2  0.5 ! A.704  at -9.94e+06
assign (resid 558 and name  HA2) (resid 559 and name   HN)  3.0  1.2  0.5 ! A.705  at -1.07e+07
assign (resid 558 and name   HN) (resid 559 and name   HN)  4.0  2.2  1.0 ! A.713  at  1.85e+06
assign (resid 558 and name  HA1) (resid 570 and name  HG2)  4.0  2.2  1.0 ! A.706  at -3.21e+06
assign (resid 558 and name   HN) (resid 570 and name  HG2)  4.0  2.2  2.3 ! A.714  at  1.96e+06

! R559
assign (resid 559 and name   HA) (resid 559 and name  HD1)  3.0  1.2  0.3 ! A.716  at -7.16e+06
assign (resid 559 and name   HA) (resid 559 and name  HG2)  3.0  1.2  0.3 ! A.717  at -1.88e+07
assign (resid 559 and name  HB1) (resid 559 and name  HD1)  3.0  1.2  0.3 ! A.721  at -2.37e+07
assign (resid 559 and name  HB1) (resid 559 and name   HN)  3.0  1.2  0.5 ! A.723  at -1.19e+07
assign (resid 559 and name  HG1) (resid 559 and name   HA)  3.0  1.2  0.7 ! A.726  at -8.85e+06
assign (resid 559 and name  HG1) (resid 559 and name   HN)  3.0  1.2  0.5 ! A.731  at -6.07e+06
assign (resid 559 and name  HG2) (resid 559 and name   HN)  3.0  1.2  0.5 ! A.732  at -7.74e+06
assign (resid 559 and name   HN) (resid 559 and name  HD1)  4.0  2.2  1.0 ! A.737  at  3.61e+06
assign (resid 559 and name   HA) (resid 560 and name  HB1)  3.0  1.2  1.2 ! A.719  at -6.08e+06
assign (resid 559 and name   HA) (resid 560 and name  HB2)  4.0  2.2  1.5 ! A.754  at -4.73e+06
assign (resid 559 and name   HA) (resid 560 and name   HN)  2.5  0.7  0.4 ! A.765  at  1.05e+08
assign (resid 559 and name  HB1) (resid 560 and name   HN)  3.0  1.2  0.5 ! A.766  at  2.30e+07
assign (resid 559 and name  HD1) (resid 560 and name   HN)  4.0  2.2  1.0 ! A.767  at  2.75e+06
assign (resid 559 and name  HG2) (resid 560 and name   HN)  3.0  1.2  1.2 ! A.768  at  6.68e+06
assign (resid 559 and name  HD1) (resid 570 and name  HG1)  4.0  2.2  1.0 ! A.1209 at -1.96e+06

! C560
assign (resid 560 and name  HB1) (resid 560 and name   HN)  3.0  1.2  0.5 ! A.757  at -8.95e+06
assign (resid 560 and name  HB2) (resid 560 and name   HN)  3.0  1.2  1.0 ! A.758  at -8.45e+06
assign (resid 560 and name   HA) (resid 561 and name   HA)  4.0  2.2  1.0 ! A.743  at -2.68e+06
assign (resid 560 and name   HA) (resid 561 and name HG12)  4.0  2.2  1.0 ! A.744  at -2.44e+06
assign (resid 560 and name   HA) (resid 561 and name   HN)  2.5  0.7  0.4 ! A.745  at -6.31e+07
assign (resid 560 and name  HB1) (resid 561 and name   HA)  4.0  2.2  2.0 ! A.759  at -1.54e+06
assign (resid 560 and name  HB1) (resid 561 and name   HN)  3.0  1.2  1.2 ! A.761  at -1.78e+07
assign (resid 560 and name  HB2) (resid 561 and name   HA)  4.0  2.2  1.0 ! A.760  at -2.11e+06
assign (resid 560 and name  HB2) (resid 561 and name   HN)  3.0  1.2  0.5 ! A.762  at -1.90e+07
assign (resid 560 and name   HA) (resid 561 and name   HB)  4.0  2.2  1.0 ! A.780  at -3.55e+06
assign (resid 560 and name   HA) (resid 561 and name HG11)  4.0  2.2  1.0 ! A.802  at -2.39e+06
assign (resid 560 and name  HB2) (resid 568 and name   HN)  3.0  1.2  0.8 ! A.1111 at  1.03e+07
assign (resid 560 and name   HA) (resid 569 and name   HA)  3.0  1.2  1.0 ! A.746  at -6.06e+06
assign (resid 560 and name   HA) (resid 570 and name  HD2)  3.0  1.2  0.9 ! A.747  at -1.13e+07
assign (resid 560 and name   HA) (resid 570 and name   HA)  4.0  2.2  2.0 ! A.1157 at -1.51e+06
assign (resid 560 and name   HA) (resid 570 and name  HD1)  3.0  1.2  0.3 ! A.1188 at -1.03e+07
assign (resid 560 and name   HA) (resid 570 and name  HG1)  4.0  2.2  1.0 ! A.1210 at -2.53e+06
assign (resid 560 and name   HA) (resid 570 and name  HG2)  3.0  1.2  0.9 ! A.1211 at -6.82e+06

! I561
assign (resid 561 and name   HA) (resid 561 and name HD1#)  3.0  1.2  0.8 ! A.773  at -1.57e+07
assign (resid 561 and name   HA) (resid 561 and name HG11)  3.0  1.2  1.0 ! A.774  at -7.68e+06
assign (resid 561 and name   HA) (resid 561 and name HG12)  3.0  1.2  0.3 ! A.775  at -1.45e+07
assign (resid 561 and name   HA) (resid 561 and name HG2#)  3.0  1.2  0.8 ! A.776  at -4.09e+07
assign (resid 561 and name   HB) (resid 561 and name HD1#)  3.0  1.2  0.8 ! A.782  at -9.94e+06
assign (resid 561 and name   HB) (resid 561 and name   HN)  3.0  1.2  0.5 ! A.785  at -2.34e+07
assign (resid 561 and name HD1#) (resid 561 and name   HN)  4.0  2.2  1.5 ! A.796  at -4.43e+06
assign (resid 561 and name HG11) (resid 561 and name   HN)  3.0  1.2  0.5 ! A.812  at -6.87e+06
assign (resid 561 and name HG12) (resid 561 and name   HN)  3.0  1.2  0.5 ! A.813  at -7.34e+06
assign (resid 561 and name HG2#) (resid 561 and name   HN)  3.0  1.2  1.0 ! A.821  at -1.29e+07
assign (resid 561 and name   HA) (resid 562 and name   HB)  4.0  2.2  1.0 ! A.778  at -3.07e+06
assign (resid 561 and name   HB) (resid 562 and name   HN)  3.0  1.2  0.7 ! A.876  at  1.76e+07
assign (resid 561 and name HD1#) (resid 562 and name   HN)  3.0  1.2  1.0 ! A.877  at  7.32e+06
assign (resid 561 and name HG11) (resid 562 and name   HN)  4.0  2.2  1.3 ! A.878  at  6.44e+06
assign (resid 561 and name HG2#) (resid 562 and name   HA)  3.0  1.2  1.1 ! A.848  at -6.29e+06
assign (resid 561 and name HG2#) (resid 562 and name   HN)  2.5  0.7  0.9 ! A.879  at  5.82e+07
assign (resid 561 and name HG2#) (resid 562 and name   HB)  4.0  2.2  1.5 ! A.860  at -2.49e+06
assign (resid 561 and name   HA) (resid 562 and name   HN)  2.5  0.7  0.4 ! A.875  at  1.42e+08
assign (resid 561 and name   HN) (resid 562 and name   HN)  4.0  2.2  1.0 ! A.880  at  4.13e+06
assign (resid 561 and name   HB) (resid 563 and name   HA)  4.0  2.2  1.9 ! A.886  at -3.88e+06
assign (resid 561 and name HG2#) (resid 563 and name   HA)  4.0  2.2  1.5 ! A.887  at -1.98e+06
assign (resid 561 and name   HB) (resid 563 and name  HB#)  3.0  1.2  1.6 ! A.898  at -6.92e+06
assign (resid 561 and name HG2#) (resid 563 and name  HB#)  3.0  1.2  1.3 ! A.899  at -1.22e+07
assign (resid 561 and name HG2#) (resid 563 and name   HN)  3.0  1.2  1.0 ! A.907  at  8.58e+06
assign (resid 561 and name   HA) (resid 568 and name  HB2)  4.0  2.2  1.3 ! A.779  at -3.67e+06
assign (resid 561 and name   HB) (resid 568 and name  HB1)  4.0  2.2  1.0 ! A.787  at -5.53e+06
assign (resid 561 and name   HB) (resid 568 and name  HB2)  3.0  1.2  0.3 ! A.788  at -1.16e+07
assign (resid 561 and name HG11) (resid 568 and name  HB1)  4.0  2.2  2.0 ! A.815  at -1.71e+06
assign (resid 561 and name HG12) (resid 568 and name  HB1)  4.0  2.2  2.0 ! A.816  at -1.61e+06
assign (resid 561 and name HG2#) (resid 568 and name  HB1)  4.0  2.2  1.5 ! A.824  at -3.21e+06
assign (resid 561 and name HG2#) (resid 568 and name  HB2)  3.0  1.2  0.8 ! A.825  at -5.76e+06
assign (resid 561 and name   HN) (resid 568 and name  HB1)  4.0  2.2  1.0 ! A.843  at  3.58e+06
assign (resid 561 and name   HN) (resid 568 and name  HB2)  4.0  2.2  1.0 ! A.844  at  5.40e+06
assign (resid 561 and name   HB) (resid 568 and name   HA)  4.0  2.2  1.0 ! A.1078 at -2.89e+06
assign (resid 561 and name HD1#) (resid 568 and name  HB1)  4.0  2.2  2.5 ! A.1088 at -1.73e+06
assign (resid 561 and name HD1#) (resid 568 and name  HB2)  4.0  2.2  2.5 ! A.1089 at -1.47e+06
assign (resid 561 and name HG12) (resid 568 and name  HB2)  4.0  2.2  2.0 ! A.1091 at -1.54e+06
assign (resid 561 and name   HB) (resid 568 and name   HN)  3.0  1.2  0.5 ! A.1112 at  1.10e+07
assign (resid 561 and name HG12) (resid 568 and name   HN)  4.0  2.2  1.0 ! A.1113 at  3.89e+06
assign (resid 561 and name   HN) (resid 569 and name   HA)  4.0  2.2  2.0 ! A.845  at  1.42e+06
assign (resid 561 and name   HB) (resid 570 and name   HA)  4.0  2.2  1.0 ! A.789  at -3.37e+06
assign (resid 561 and name HD1#) (resid 570 and name  HB1)  3.0  1.2  0.8 ! A.798  at -7.25e+06
assign (resid 561 and name HG2#) (resid 570 and name   HA)  4.0  2.2  1.5 ! A.826  at -5.21e+06
assign (resid 561 and name   HN) (resid 570 and name  HD2)  4.0  2.2  1.0 ! A.846  at  3.62e+06
assign (resid 561 and name   HN) (resid 570 and name  HG2)  4.0  2.2  1.3 ! A.847  at  2.97e+06
assign (resid 561 and name HD1#) (resid 570 and name   HA)  3.0  1.2  0.8 ! A.1158 at -2.06e+07
assign (resid 561 and name HG11) (resid 570 and name   HA)  3.0  1.2  0.3 ! A.1159 at -1.48e+07
assign (resid 561 and name HG12) (resid 570 and name   HA)  3.0  1.2  0.3 ! A.1160 at -1.70e+07
assign (resid 561 and name   HN) (resid 570 and name   HA)  4.0  2.2  1.0 ! A.1161 at -2.62e+06
assign (resid 561 and name HG11) (resid 570 and name  HB1)  4.0  2.2  1.0 ! A.1174 at -2.66e+06
assign (resid 561 and name HG12) (resid 570 and name  HB1)  4.0  2.2  1.0 ! A.1175 at -3.72e+06
assign (resid 561 and name HG2#) (resid 570 and name  HB1)  4.0  2.2  1.5 ! A.1176 at -2.37e+06
assign (resid 561 and name HD1#) (resid 570 and name  HB2)  4.0  2.2  1.5 ! A.1173 at -4.71e+06
assign (resid 561 and name HG12) (resid 570 and name  HD1)  4.0  2.2  2.0 ! A.1190 at -1.74e+06
assign (resid 561 and name   HN) (resid 570 and name  HD1)  4.0  2.2  1.0 ! A.1192 at -2.51e+06
assign (resid 561 and name HG12) (resid 570 and name  HD2)  4.0  2.2  1.0 ! A.1191 at -1.95e+06
assign (resid 561 and name HD1#) (resid 570 and name  HG1)  4.0  2.2  1.5 ! A.1212 at -3.20e+06
assign (resid 561 and name HG12) (resid 570 and name  HG1)  4.0  2.2  1.0 ! A.1214 at -2.81e+06
assign (resid 561 and name HD1#) (resid 570 and name  HG2)  4.0  2.2  1.5 ! A.1213 at -2.46e+06
assign (resid 561 and name HD1#) (resid 571 and name   HN)  4.0  2.2  2.5 ! A.1245 at  9.79e+05
assign (resid 561 and name HD1#) (resid 572 and name   HN)  4.0  2.2  1.8 ! A.1281 at  2.24e+06
assign (resid 561 and name   HB) (resid 573 and name  HB1)  4.0  2.2  1.0 ! A.790  at -5.17e+06
assign (resid 561 and name   HB) (resid 573 and name  HB2)  4.0  2.2  1.0 ! A.791  at -2.71e+06
assign (resid 561 and name HD1#) (resid 573 and name  HB1)  3.0  1.2  0.8 ! A.799  at -9.09e+06
assign (resid 561 and name HD1#) (resid 573 and name   HN)  4.0  2.2  1.5 ! A.800  at -5.10e+06
assign (resid 561 and name HG2#) (resid 573 and name  HB1)  3.0  1.2  0.8 ! A.827  at -6.17e+06
assign (resid 561 and name HG2#) (resid 573 and name  HB2)  4.0  2.2  1.5 ! A.1304 at -2.58e+06
assign (resid 561 and name HG2#) (resid 573 and name   HN)  4.0  2.2  1.5 ! A.829  at -2.89e+06
assign (resid 561 and name HG2#) (resid 573 and name   HA)  4.0  2.2  1.5 ! A.1299 at -2.07e+06
assign (resid 561 and name HG12) (resid 573 and name   HN)  4.0  2.2  2.0 ! A.1316 at  1.34e+06
assign (resid 561 and name HD1#) (resid 583 and name   HA)  3.0  1.2  0.8 ! A.801  at -8.57e+06
assign (resid 561 and name HG2#) (resid 583 and name   HA)  4.0  2.2  1.5 ! A.830  at -5.63e+06
assign (resid 561 and name HG2#) (resid 584 and name  HB1)  3.0  1.2  0.8 ! A.831  at -7.53e+06
assign (resid 561 and name HG2#) (resid 584 and name  HD1)  3.0  1.2  1.8 ! A.832  at -1.08e+07
assign (resid 561 and name HG2#) (resid 584 and name   HA)  4.0  2.2  1.5 ! A.1785 at -4.71e+06
assign (resid 561 and name HD1#) (resid 584 and name  HB1)  4.0  2.2  1.5 ! A.1792 at -4.41e+06
assign (resid 561 and name HG2#) (resid 584 and name  HG1)  3.0  1.2  1.2 ! A.1801 at -5.76e+06
assign (resid 561 and name HD1#) (resid 584 and name   HN)  4.0  2.2  2.5 ! A.1806 at  1.03e+06

! T562
assign (resid 562 and name   HA) (resid 562 and name HG2#)  3.0  1.2  0.8 ! A.850  at -2.79e+07
assign (resid 562 and name   HB) (resid 562 and name   HN)  3.0  1.2  0.5 ! A.863  at -2.43e+07
assign (resid 562 and name HG2#) (resid 562 and name   HN)  3.0  1.2  1.0 ! A.871  at -8.36e+06
assign (resid 562 and name   HA) (resid 563 and name  HB#)  3.0  1.2  1.1 ! A.852  at -7.13e+06
assign (resid 562 and name   HA) (resid 563 and name   HN)  2.5  0.7  0.4 ! A.853  at -5.35e+07
assign (resid 562 and name   HB) (resid 563 and name  HB#)  4.0  2.2  1.5 ! A.864  at -2.94e+06
assign (resid 562 and name   HB) (resid 563 and name   HN)  3.0  1.2  1.4 ! A.865  at -6.04e+06
assign (resid 562 and name HG2#) (resid 563 and name   HN)  3.0  1.2  1.0 ! A.872  at -2.49e+07
assign (resid 562 and name   HN) (resid 563 and name  HB#)  3.0  1.2  1.8 ! A.884  at  5.80e+06
assign (resid 562 and name   HA) (resid 563 and name   HA)  4.0  2.2  1.0 ! A.888  at -5.31e+06
assign (resid 562 and name HG2#) (resid 563 and name   HA)  3.0  1.2  1.1 ! A.889  at -7.96e+06
assign (resid 562 and name HG2#) (resid 564 and name   HN)  4.0  2.2  1.5 ! A.940  at  3.68e+06
assign (resid 562 and name HG2#) (resid 565 and name   HA)  3.0  1.2  0.8 ! A.950  at -7.63e+06
assign (resid 562 and name HG2#) (resid 565 and name   HN)  3.0  1.2  1.0 ! A.965  at  9.91e+06
assign (resid 562 and name   HA) (resid 566 and name   HN)  4.0  2.2  1.0 ! A.854  at -3.59e+06
!assign (resid 562 and name   HB) (resid 566 and name   HN)  4.0  2.2  2.0 ! A.866  at -9.60e+05
assign (resid 562 and name HG2#) (resid 566 and name   HN)  3.0  1.2  1.0 ! A.873  at -6.06e+06
assign (resid 562 and name   HA) (resid 567 and name  HD2)  4.0  2.2  1.0 ! A.855  at -4.35e+06
assign (resid 562 and name   HA) (resid 567 and name  HE1)  4.0  2.2  1.0 ! A.856  at -3.58e+06
assign (resid 562 and name   HA) (resid 567 and name  HG1)  3.0  1.2  0.3 ! A.857  at -7.00e+06
assign (resid 562 and name   HB) (resid 567 and name  HD2)  4.0  2.2  1.0 ! A.867  at -2.44e+06
assign (resid 562 and name   HB) (resid 567 and name  HE1)  4.0  2.2  1.3 ! A.868  at -1.98e+06
assign (resid 562 and name HG2#) (resid 567 and name  HE1)  3.0  1.2  0.8 ! A.874  at -2.17e+07
assign (resid 562 and name HG2#) (resid 567 and name   HA)  4.0  2.2  1.5 ! A.1017 at -4.16e+06
assign (resid 562 and name   HA) (resid 568 and name  HB2)  4.0  2.2  1.5 ! A.858  at -2.04e+06
assign (resid 562 and name   HN) (resid 584 and name  HE1)  4.0  2.2  1.0 ! A.885  at  3.84e+06

! A563
assign (resid 563 and name  HB#) (resid 563 and name   HN)  3.0  1.2  1.0 ! A.901  at -1.85e+07
assign (resid 563 and name   HA) (resid 564 and name   HA)  3.0  1.2  1.4 ! A.892  at -1.12e+07
assign (resid 563 and name   HA) (resid 564 and name  HG1)  4.0  2.2  1.0 ! A.893  at -2.60e+06
assign (resid 563 and name   HA) (resid 564 and name   HN)  2.5  0.7  0.7 ! A.894  at -7.31e+07
assign (resid 563 and name  HB#) (resid 564 and name   HA)  4.0  2.2  1.5 ! A.902  at -3.86e+06
assign (resid 563 and name  HB#) (resid 564 and name  HG1)  3.0  1.2  0.8 ! A.931  at -6.30e+06
assign (resid 563 and name  HB#) (resid 564 and name   HN)  3.0  1.2  1.0 ! A.904  at -1.76e+07
assign (resid 563 and name   HN) (resid 564 and name   HN)  3.0  1.2  0.9 ! A.913  at  6.01e+06
assign (resid 563 and name  HB#) (resid 564 and name  HG2)  4.0  2.2  1.5 ! A.932  at -4.85e+06
assign (resid 563 and name   HN) (resid 565 and name   HA)  4.0  2.2  2.0 ! A.914  at  1.43e+06
assign (resid 563 and name   HA) (resid 565 and name   HN)  3.0  1.2  1.2 ! A.966  at  1.51e+07
assign (resid 563 and name  HB#) (resid 565 and name   HN)  3.0  1.2  1.0 ! A.967  at  6.55e+06
assign (resid 563 and name   HA) (resid 566 and name  HB1)  4.0  2.2  2.2 ! A.895  at -3.03e+06
assign (resid 563 and name   HA) (resid 566 and name   HN)  4.0  2.2  1.0 ! A.896  at -3.42e+06
assign (resid 563 and name  HB#) (resid 566 and name  HB1)  3.0  1.2  0.8 ! A.905  at -8.43e+06
assign (resid 563 and name  HB#) (resid 566 and name   HN)  4.0  2.2  1.5 ! A.906  at -2.47e+06
assign (resid 563 and name   HN) (resid 566 and name  HB1)  3.0  1.2  1.4 ! A.915  at  5.80e+06
assign (resid 563 and name   HN) (resid 566 and name   HN)  3.0  1.2  0.5 ! A.916  at  2.51e+07
assign (resid 563 and name   HN) (resid 566 and name   HA)  4.0  2.2  1.0 ! A.978  at -3.43e+06
assign (resid 563 and name   HN) (resid 567 and name  HD2)  3.0  1.2  0.5 ! A.917  at  7.66e+06
assign (resid 563 and name   HN) (resid 567 and name  HE1)  4.0  2.2  2.0 ! A.918  at  1.51e+06
assign (resid 563 and name   HN) (resid 567 and name  HG1)  4.0  2.2  1.0 ! A.919  at  2.49e+06
assign (resid 563 and name   HN) (resid 567 and name   HA)  3.0  1.2  0.5 ! A.1018 at -6.77e+06
assign (resid 563 and name   HA) (resid 584 and name  HE1)  4.0  2.2  1.0 ! A.897  at -4.77e+06

! M564
assign (resid 564 and name   HA) (resid 564 and name  HG1)  3.0  1.2  0.3 ! A.922  at -1.95e+07
assign (resid 564 and name  HB1) (resid 564 and name   HN)  4.0  2.2  2.0 ! A.927  at -1.68e+06
assign (resid 564 and name  HG1) (resid 564 and name   HN)  4.0  2.2  1.0 ! A.937  at -3.40e+06
assign (resid 564 and name  HG2) (resid 564 and name   HN)  3.0  1.2  0.5 ! A.938  at -5.97e+06
assign (resid 564 and name   HN) (resid 564 and name  HB2)  3.0  1.2  0.5 ! A.945  at  1.73e+07
assign (resid 564 and name   HA) (resid 565 and name   HN)  2.5  0.7  0.4 ! A.968  at  4.41e+07
assign (resid 564 and name  HB1) (resid 565 and name  HB#)  4.0  2.2  1.5 ! A.928  at -3.50e+06
assign (resid 564 and name  HB1) (resid 565 and name   HN)  3.0  1.2  1.4 ! A.969  at  1.35e+07
assign (resid 564 and name  HB2) (resid 565 and name   HN)  3.0  1.2  1.2 ! A.970  at  1.43e+07
assign (resid 564 and name  HG1) (resid 565 and name   HN)  4.0  2.2  1.0 ! A.971  at  4.49e+06
assign (resid 564 and name   HN) (resid 565 and name   HA)  4.0  2.2  1.7 ! A.947  at  3.54e+06
assign (resid 564 and name   HN) (resid 565 and name   HN)  3.0  1.2  0.5 ! A.948  at  3.87e+07
assign (resid 564 and name  HB1) (resid 565 and name   HA)  4.0  2.2  1.9 ! A.951  at -2.37e+06
assign (resid 564 and name  HB2) (resid 565 and name   HA)  4.0  2.2  1.9 ! A.952  at -2.46e+06
assign (resid 564 and name   HA) (resid 565 and name  HB#)  4.0  2.2  1.5 ! A.958  at -4.34e+06
assign (resid 564 and name   HN) (resid 565 and name  HB#)  4.0  2.2  1.5 ! A.959  at -4.04e+06
assign (resid 564 and name   HN) (resid 566 and name   HN)  4.0  2.2  1.0 ! A.949  at  5.51e+06
assign (resid 564 and name   HA) (resid 566 and name   HN)  3.0  1.2  1.0 ! A.1004 at  7.89e+06
assign (resid 564 and name  HB1) (resid 566 and name   HN)  3.0  1.2  1.3 ! A.1005 at  1.72e+07
assign (resid 564 and name  HB2) (resid 566 and name   HN)  3.0  1.2  0.5 ! A.1006 at  1.72e+07
assign (resid 564 and name  HG1) (resid 566 and name   HN)  4.0  2.2  2.0 ! A.1007 at  1.76e+06

! A565
assign (resid 565 and name  HB#) (resid 565 and name   HN)  3.0  1.2  1.0 ! A.961  at -4.21e+07
assign (resid 565 and name   HA) (resid 566 and name   HA)  4.0  2.2  1.0 ! A.956  at -2.33e+06
assign (resid 565 and name   HA) (resid 566 and name   HN)  3.0  1.2  0.5 ! A.957  at -1.43e+07
assign (resid 565 and name  HB#) (resid 566 and name   HA)  4.0  2.2  1.5 ! A.962  at -3.53e+06
assign (resid 565 and name  HB#) (resid 566 and name  HE1)  4.0  2.2  1.5 ! A.963  at -3.39e+06
assign (resid 565 and name  HB#) (resid 566 and name   HN)  3.0  1.2  1.0 ! A.964  at -1.19e+07
assign (resid 565 and name   HN) (resid 566 and name  HB1)  4.0  2.2  2.0 ! A.975  at  2.65e+06
assign (resid 565 and name   HN) (resid 566 and name   HN)  2.5  0.7  0.4 ! A.976  at  4.34e+07

! K566
assign (resid 566 and name   HA) (resid 566 and name  HD2)  3.0  1.2  1.3 ! A.980  at -4.33e+07
assign (resid 566 and name   HA) (resid 566 and name  HE1)  3.0  1.2  1.4 ! A.981  at -7.44e+06
assign (resid 566 and name   HA) (resid 566 and name  HG1)  3.0  1.2  0.3 ! A.982  at -3.07e+07
assign (resid 566 and name  HB1) (resid 566 and name  HD2)  3.0  1.2  0.3 ! A.986  at -2.82e+07
assign (resid 566 and name  HB1) (resid 566 and name  HE1)  4.0  2.2  1.0 ! A.987  at -3.48e+06
assign (resid 566 and name  HB1) (resid 566 and name   HN)  3.0  1.2  0.5 ! A.989  at -9.04e+06
assign (resid 566 and name  HD1) (resid 566 and name   HA)  4.0  2.2  1.0 ! A.992  at -3.03e+06
assign (resid 566 and name  HD1) (resid 566 and name  HB1)  2.5  0.7  1.1 ! A.993  at -1.24e+08
assign (resid 566 and name  HD1) (resid 566 and name   HN)  4.0  2.2  1.5 ! A.996  at -2.17e+06
assign (resid 566 and name  HD2) (resid 566 and name   HN)  4.0  2.2  2.0 ! A.997  at -1.60e+06
assign (resid 566 and name  HG1) (resid 566 and name  HE1)  3.0  1.2  0.3 ! A.1001 at -7.88e+06
assign (resid 566 and name   HN) (resid 566 and name  HE1)  4.0  2.2  1.0 ! A.1014 at  5.65e+06
assign (resid 566 and name   HN) (resid 566 and name  HG1)  3.0  1.2  0.5 ! A.1015 at  1.70e+07
assign (resid 566 and name   HA) (resid 567 and name   HA)  4.0  2.2  1.0 ! A.1019 at -3.14e+06
assign (resid 566 and name   HA) (resid 567 and name  HD1)  4.0  2.2  1.0 ! A.1038 at -2.60e+06
assign (resid 566 and name   HA) (resid 567 and name  HE1)  4.0  2.2  1.8 ! A.1047 at -3.15e+06
assign (resid 566 and name   HA) (resid 567 and name   HN)  2.5  0.7  0.4 ! A.1060 at  5.93e+07
assign (resid 566 and name  HB1) (resid 567 and name   HN)  3.0  1.2  0.5 ! A.1061 at  3.06e+07

! K567
assign (resid 567 and name   HA) (resid 567 and name  HD1)  3.0  1.2  0.3 ! A.1020 at -2.27e+07
assign (resid 567 and name   HA) (resid 567 and name  HD2)  4.0  2.2  1.0 ! A.1021 at -2.93e+06
assign (resid 567 and name   HA) (resid 567 and name  HE1)  4.0  2.2  1.0 ! A.1022 at -4.63e+06
assign (resid 567 and name   HA) (resid 567 and name  HG1)  3.0  1.2  0.3 ! A.1023 at -2.33e+07
assign (resid 567 and name  HB1) (resid 567 and name   HN)  4.0  2.2  1.0 ! A.1031 at -5.16e+06
assign (resid 567 and name  HB2) (resid 567 and name   HN)  4.0  2.2  1.0 ! A.1032 at -2.67e+06
assign (resid 567 and name  HE1) (resid 567 and name  HG1)  3.0  1.2  0.3 ! A.1049 at -3.48e+07
assign (resid 567 and name  HE1) (resid 567 and name   HN)  4.0  2.2  1.0 ! A.1050 at -2.25e+06
assign (resid 567 and name  HG1) (resid 567 and name   HN)  4.0  2.2  1.0 ! A.1054 at -3.98e+06
assign (resid 567 and name   HN) (resid 567 and name  HD1)  2.5  0.7  0.4 ! A.1065 at  4.64e+07
assign (resid 567 and name   HN) (resid 567 and name  HD2)  2.5  0.7  0.4 ! A.1066 at  5.55e+07
assign (resid 567 and name   HA) (resid 568 and name  HB1)  4.0  2.2  1.6 ! A.1025 at -2.62e+06
assign (resid 567 and name   HA) (resid 568 and name  HB2)  4.0  2.2  1.0 ! A.1026 at -2.15e+06
assign (resid 567 and name  HB1) (resid 568 and name   HN)  4.0  2.2  1.0 ! A.1033 at -3.73e+06
assign (resid 567 and name  HB2) (resid 568 and name   HN)  3.0  1.2  0.7 ! A.1115 at  2.95e+07
assign (resid 567 and name  HD2) (resid 568 and name   HN)  4.0  2.2  1.0 ! A.1044 at -2.33e+06
assign (resid 567 and name  HG1) (resid 568 and name   HN)  3.0  1.2  0.5 ! A.1116 at  1.17e+07
assign (resid 567 and name   HN) (resid 568 and name   HA)  4.0  2.2  2.0 ! A.1069 at  1.38e+06
assign (resid 567 and name   HA) (resid 568 and name   HA)  4.0  2.2  1.0 ! A.1079 at -2.86e+06
assign (resid 567 and name  HB1) (resid 568 and name   HA)  4.0  2.2  1.0 ! A.1080 at -2.49e+06
assign (resid 567 and name   HA) (resid 568 and name   HN)  2.5  0.7  0.4 ! A.1114 at  9.14e+07
assign (resid 567 and name   HN) (resid 568 and name   HN)  3.0  1.2  1.6 ! A.1117 at  5.97e+06

! F568
assign (resid 568 and name  HB1) (resid 568 and name   HN)  4.0  2.2  1.0 ! A.1098 at -4.91e+06
assign (resid 568 and name  HB2) (resid 568 and name   HN)  3.0  1.2  0.5 ! A.1099 at -8.45e+06
assign (resid 568 and name   HA) (resid 569 and name  HB1)  4.0  2.2  1.8 ! A.1084 at -2.95e+06
assign (resid 568 and name   HA) (resid 569 and name   HN)  2.5  0.7  0.4 ! A.1147 at  6.67e+07
assign (resid 568 and name  HB1) (resid 569 and name   HN)  4.0  2.2  1.0 ! A.1100 at -5.64e+06
assign (resid 568 and name  HB2) (resid 569 and name   HN)  3.0  1.2  1.2 ! A.1148 at  2.49e+07
assign (resid 568 and name   HN) (resid 569 and name   HN)  4.0  2.2  1.0 ! A.1121 at  3.04e+06
assign (resid 568 and name  HB1) (resid 570 and name   HA)  4.0  2.2  1.0 ! A.1162 at -1.96e+06
assign (resid 568 and name  HB1) (resid 572 and name   HN)  4.0  2.2  2.0 ! A.1102 at -9.75e+05
assign (resid 568 and name   HA) (resid 572 and name   HN)  4.0  2.2  1.4 ! A.1282 at  2.10e+06
assign (resid 568 and name   HA) (resid 573 and name  HB2)  4.0  2.2  2.0 ! A.1086 at -1.10e+06
assign (resid 568 and name  HB1) (resid 573 and name   HA)  4.0  2.2  1.0 ! A.1103 at -2.07e+06
assign (resid 568 and name  HB1) (resid 573 and name  HB2)  3.0  1.2  0.3 ! A.1106 at -6.83e+06
assign (resid 568 and name  HB2) (resid 573 and name   HA)  4.0  2.2  2.0 ! A.1104 at -1.60e+06
assign (resid 568 and name  HB2) (resid 573 and name  HB1)  4.0  2.2  1.0 ! A.1105 at -2.43e+06
assign (resid 568 and name  HB2) (resid 573 and name  HB2)  3.0  1.2  0.3 ! A.1107 at -6.27e+06
assign (resid 568 and name   HN) (resid 573 and name  HB2)  4.0  2.2  1.0 ! A.1122 at  1.93e+06
assign (resid 568 and name  HB2) (resid 573 and name   HN)  3.0  1.2  1.2 ! A.1318 at  6.02e+06

! H569
assign (resid 569 and name  HB1) (resid 569 and name   HN)  4.0  2.2  1.0 ! A.1132 at -5.44e+06
assign (resid 569 and name   HN) (resid 569 and name  HB2)  3.0  1.2  0.5 ! A.1151 at  4.23e+07
assign (resid 569 and name   HA) (resid 570 and name  HD1)  3.0  1.2  0.3 ! A.1123 at -2.93e+07
assign (resid 569 and name   HA) (resid 570 and name  HD2)  3.0  1.2  0.3 ! A.1124 at -3.40e+07
assign (resid 569 and name  HB1) (resid 570 and name  HD1)  4.0  2.2  2.0 ! A.1133 at -1.65e+06
assign (resid 569 and name  HB1) (resid 570 and name  HD2)  4.0  2.2  2.0 ! A.1134 at -1.46e+06
assign (resid 569 and name   HN) (resid 570 and name  HD1)  4.0  2.2  1.0 ! A.1152 at  4.97e+06
assign (resid 569 and name   HN) (resid 570 and name  HD2)  4.0  2.2  1.0 ! A.1153 at  1.89e+06
assign (resid 569 and name   HA) (resid 570 and name   HA)  4.0  2.2  2.0 ! A.1163 at -1.13e+06
assign (resid 569 and name  HB2) (resid 570 and name  HD1)  4.0  2.2  1.0 ! A.1196 at -3.87e+06
assign (resid 569 and name  HB2) (resid 570 and name  HD2)  4.0  2.2  1.0 ! A.1197 at -4.48e+06
assign (resid 569 and name   HA) (resid 570 and name  HG1)  4.0  2.2  1.0 ! A.1215 at -2.08e+06
assign (resid 569 and name   HA) (resid 570 and name  HG2)  4.0  2.2  1.0 ! A.1216 at -2.12e+06
assign (resid 569 and name  HB1) (resid 571 and name   HN)  3.0  1.2  0.5 ! A.1247 at  7.62e+06
assign (resid 569 and name  HB2) (resid 571 and name   HN)  4.0  2.2  1.0 ! A.1136 at -2.11e+06
assign (resid 569 and name  HB1) (resid 571 and name  HG2)  4.0  2.2  2.0 ! A.1233 at -9.78e+05
assign (resid 569 and name  HB2) (resid 571 and name  HG2)  4.0  2.2  1.0 ! A.1234 at -3.07e+06
assign (resid 569 and name   HA) (resid 571 and name   HN)  4.0  2.2  1.0 ! A.1246 at  2.95e+06
assign (resid 569 and name   HN) (resid 571 and name   HN)  4.0  2.2  2.0 ! A.1248 at  1.78e+06
assign (resid 569 and name   HA) (resid 572 and name  HB2)  3.0  1.2  1.8 ! A.1125 at -1.57e+07
assign (resid 569 and name  HB1) (resid 572 and name  HB1)  4.0  2.2  1.3 ! A.1137 at -2.34e+06
assign (resid 569 and name  HB1) (resid 572 and name   HN)  3.0  1.2  0.5 ! A.1284 at  2.01e+07
assign (resid 569 and name  HB2) (resid 572 and name   HN)  4.0  2.2  1.0 ! A.1139 at -3.22e+06
assign (resid 569 and name   HN) (resid 572 and name  HB1)  4.0  2.2  1.0 ! A.1154 at  5.55e+06
assign (resid 569 and name  HB1) (resid 572 and name   HA)  4.0  2.2  2.0 ! A.1259 at -1.15e+06
assign (resid 569 and name  HB1) (resid 572 and name  HB2)  4.0  2.2  1.0 ! A.1271 at -2.58e+06
assign (resid 569 and name   HN) (resid 572 and name  HB2)  4.0  2.2  2.0 ! A.1273 at -7.07e+05
assign (resid 569 and name   HA) (resid 572 and name   HN)  4.0  2.2  1.0 ! A.1283 at  3.64e+06
assign (resid 569 and name   HN) (resid 572 and name   HN)  3.0  1.2  0.8 ! A.1285 at  6.10e+06
assign (resid 569 and name   HN) (resid 573 and name  HB2)  4.0  2.2  1.0 ! A.1155 at  2.08e+06
assign (resid 569 and name   HN) (resid 573 and name   HN)  4.0  2.2  2.0 ! A.1156 at  1.23e+06

! P570
assign (resid 570 and name   HA) (resid 570 and name  HG1)  3.0  1.2  0.3 ! A.1166 at -6.31e+06
assign (resid 570 and name   HA) (resid 570 and name  HG2)  3.0  1.2  0.9 ! A.1167 at -1.39e+07
assign (resid 570 and name  HB1) (resid 570 and name  HD2)  4.0  2.2  1.0 ! A.1180 at -5.33e+06
assign (resid 570 and name  HD1) (resid 570 and name  HB1)  4.0  2.2  1.0 ! A.1198 at -3.11e+06
assign (resid 570 and name  HD1) (resid 570 and name  HB2)  4.0  2.2  1.0 ! A.1200 at -3.77e+06
assign (resid 570 and name   HA) (resid 571 and name   HN)  3.0  1.2  0.5 ! A.1168 at -5.87e+06
assign (resid 570 and name  HB1) (resid 571 and name   HN)  3.0  1.2  1.3 ! A.1183 at -5.88e+06
assign (resid 570 and name  HB2) (resid 571 and name   HN)  3.0  1.2  0.5 ! A.1184 at -7.46e+06
assign (resid 570 and name  HD1) (resid 571 and name   HN)  4.0  2.2  1.0 ! A.1207 at -3.23e+06
assign (resid 570 and name  HD2) (resid 571 and name   HN)  3.0  1.2  0.5 ! A.1250 at  1.80e+07
assign (resid 570 and name  HG1) (resid 571 and name   HN)  4.0  2.2  1.0 ! A.1223 at -3.40e+06
assign (resid 570 and name   HA) (resid 572 and name   HN)  4.0  2.2  1.0 ! A.1169 at -3.59e+06
assign (resid 570 and name   HA) (resid 573 and name  HB1)  4.0  2.2  1.0 ! A.1170 at -5.32e+06
assign (resid 570 and name   HA) (resid 573 and name   HN)  4.0  2.2  1.0 ! A.1171 at -5.18e+06

! E571
assign (resid 571 and name   HA) (resid 571 and name  HG1)  3.0  1.2  0.7 ! A.1225 at -1.92e+07
assign (resid 571 and name  HB1) (resid 571 and name   HN)  3.0  1.2  0.5 ! A.1231 at -7.27e+06
assign (resid 571 and name  HB2) (resid 571 and name   HN)  3.0  1.2  0.8 ! A.1232 at -6.76e+06
assign (resid 571 and name  HG1) (resid 571 and name   HN)  3.0  1.2  0.5 ! A.1241 at -7.81e+06
assign (resid 571 and name  HG2) (resid 571 and name   HA)  3.0  1.2  0.7 ! A.1236 at -7.43e+06
assign (resid 571 and name  HG2) (resid 571 and name   HN)  3.0  1.2  0.5 ! A.1242 at -6.94e+06
assign (resid 571 and name   HA) (resid 572 and name   HN)  3.0  1.2  0.5 ! A.1227 at -8.65e+06
assign (resid 571 and name  HG1) (resid 572 and name   HN)  3.0  1.2  0.5 ! A.1289 at  1.26e+07
assign (resid 571 and name  HG2) (resid 572 and name   HN)  3.0  1.2  0.5 ! A.1290 at  9.38e+06
assign (resid 571 and name   HN) (resid 572 and name   HA)  4.0  2.2  1.0 ! A.1256 at  1.85e+06
assign (resid 571 and name   HN) (resid 572 and name   HN)  3.0  1.2  0.5 ! A.1257 at  2.87e+07
assign (resid 571 and name  HG2) (resid 572 and name   HA)  4.0  2.2  1.0 ! A.1260 at -2.12e+06
assign (resid 571 and name  HB1) (resid 572 and name   HN)  4.0  2.2  1.0 ! A.1287 at  4.58e+06
assign (resid 571 and name  HB2) (resid 572 and name   HN)  4.0  2.2  1.0 ! A.1288 at  5.05e+06
assign (resid 571 and name   HA) (resid 573 and name   HN)  4.0  2.2  1.0 ! A.1228 at -4.62e+06
assign (resid 571 and name   HN) (resid 573 and name   HN)  3.0  1.2  0.5 ! A.1258 at  5.96e+06
assign (resid 571 and name  HB2) (resid 573 and name   HN)  4.0  2.2  2.0 ! A.1320 at  1.05e+06
assign (resid 571 and name   HA) (resid 581 and name  HG1)  4.0  2.2  1.0 ! A.1633 at -3.08e+06
assign (resid 571 and name   HA) (resid 581 and name  HG2)  4.0  2.2  1.0 ! A.1634 at -3.84e+06
assign (resid 571 and name  HB2) (resid 581 and name HE21)  4.0  2.2  2.0 ! A.1666 at  1.04e+06
assign (resid 571 and name  HB2) (resid 581 and name HE22)  4.0  2.2  2.0 ! A.1667 at  1.66e+06
assign (resid 571 and name   HN) (resid 581 and name HE22)  4.0  2.2  2.0 ! A.1668 at  1.57e+06

! H572
assign (resid 572 and name  HB1) (resid 572 and name   HN)  3.0  1.2  0.8 ! A.1278 at -5.88e+06
assign (resid 572 and name  HB2) (resid 572 and name   HN)  4.0  2.2  1.0 ! A.1279 at -4.71e+06
assign (resid 572 and name   HA) (resid 573 and name   HN)  3.0  1.2  0.5 ! A.1322 at  1.36e+07
assign (resid 572 and name  HB1) (resid 573 and name   HN)  3.0  1.2  1.1 ! A.1323 at  5.84e+06
assign (resid 572 and name   HN) (resid 573 and name   HA)  4.0  2.2  1.0 ! A.1295 at  3.78e+06
assign (resid 572 and name   HN) (resid 573 and name  HB1)  3.0  1.2  1.4 ! A.1296 at  5.92e+06
assign (resid 572 and name   HN) (resid 573 and name   HN)  2.5  0.7  0.4 ! A.1297 at  6.88e+07
assign (resid 572 and name   HN) (resid 573 and name  HB2)  4.0  2.2  1.0 ! A.1306 at -2.14e+06
assign (resid 572 and name   HN) (resid 574 and name   HN)  4.0  2.2  2.0 ! A.1298 at  8.60e+05
assign (resid 572 and name   HA) (resid 574 and name HG1#)  3.0  1.2  0.8 ! A.1338 at -1.42e+07
assign (resid 572 and name   HA) (resid 574 and name HG2#)  4.0  2.2  1.5 ! A.1351 at -4.78e+06
assign (resid 572 and name  HB1) (resid 574 and name HG2#)  4.0  2.2  2.5 ! A.1352 at -1.66e+06
assign (resid 572 and name   HA) (resid 574 and name   HN)  4.0  2.2  1.0 ! A.1368 at  2.11e+06
assign (resid 572 and name  HB1) (resid 574 and name   HN)  4.0  2.2  1.0 ! A.1369 at  1.83e+06
assign (resid 572 and name  HB2) (resid 574 and name   HN)  4.0  2.2  1.5 ! A.1370 at  2.09e+06

! F573
assign (resid 573 and name  HB1) (resid 573 and name   HN)  4.0  2.2  1.0 ! A.1311 at -5.59e+06
assign (resid 573 and name  HB2) (resid 573 and name   HN)  3.0  1.2  0.5 ! A.1312 at -6.11e+06
assign (resid 573 and name   HA) (resid 574 and name   HN)  2.5  0.7  0.4 ! A.1371 at  1.03e+08
assign (resid 573 and name  HB1) (resid 574 and name   HN)  3.0  1.2  1.3 ! A.1372 at  7.09e+06
assign (resid 573 and name  HB2) (resid 574 and name   HN)  3.0  1.2  1.6 ! A.1373 at  1.22e+07
assign (resid 573 and name   HN) (resid 574 and name   HA)  4.0  2.2  1.0 ! A.1328 at  2.96e+06
assign (resid 573 and name   HN) (resid 574 and name   HN)  3.0  1.2  1.0 ! A.1329 at  1.05e+07
assign (resid 573 and name   HA) (resid 574 and name HG1#)  4.0  2.2  1.5 ! A.1339 at -3.96e+06
assign (resid 573 and name   HN) (resid 574 and name HG1#)  3.0  1.2  1.0 ! A.1340 at -1.03e+07
assign (resid 573 and name   HA) (resid 574 and name HG2#)  3.0  1.2  0.8 ! A.1353 at -6.37e+06
assign (resid 573 and name   HN) (resid 574 and name HG2#)  4.0  2.2  2.5 ! A.1354 at -1.40e+06
assign (resid 573 and name   HA) (resid 582 and name HD2#)  4.0  2.2  1.5 ! A.1302 at -1.98e+06
assign (resid 573 and name  HB1) (resid 582 and name   HN)  4.0  2.2  1.0 ! A.1315 at -2.26e+06

! V574
assign (resid 574 and name   HB) (resid 574 and name   HN)  4.0  2.2  1.0 ! A.1331 at -2.55e+06
assign (resid 574 and name HG1#) (resid 574 and name   HA)  3.0  1.2  0.8 ! A.1341 at -3.27e+07
assign (resid 574 and name HG1#) (resid 574 and name   HN)  3.0  1.2  1.0 ! A.1343 at -1.44e+07
assign (resid 574 and name HG2#) (resid 574 and name   HA)  3.0  1.2  0.8 ! A.1355 at -1.20e+07
assign (resid 574 and name HG2#) (resid 574 and name   HN)  3.0  1.2  1.0 ! A.1357 at -4.28e+07
assign (resid 574 and name   HB) (resid 575 and name  HB1)  4.0  2.2  1.0 ! A.1332 at -2.47e+06
assign (resid 574 and name   HB) (resid 575 and name  HB2)  4.0  2.2  1.0 ! A.1333 at -2.57e+06
assign (resid 574 and name   HB) (resid 575 and name   HN)  3.0  1.2  0.5 ! A.1334 at -1.02e+07
assign (resid 574 and name HG1#) (resid 575 and name   HN)  3.0  1.2  1.0 ! A.1344 at -7.98e+06
assign (resid 574 and name HG2#) (resid 575 and name  HB1)  4.0  2.2  1.5 ! A.1358 at -2.32e+06
assign (resid 574 and name HG2#) (resid 575 and name  HB2)  4.0  2.2  1.5 ! A.1359 at -1.99e+06
assign (resid 574 and name HG2#) (resid 575 and name   HN)  3.0  1.2  1.0 ! A.1360 at -7.23e+06
assign (resid 574 and name   HN) (resid 575 and name   HN)  4.0  2.2  1.0 ! A.1377 at  5.19e+06
assign (resid 574 and name   HA) (resid 575 and name   HN)  2.5  0.7  0.4 ! A.1420 at  6.44e+07
assign (resid 574 and name HG2#) (resid 576 and name   HA)  3.0  1.2  0.8 ! A.1361 at -7.84e+06
assign (resid 574 and name HG2#) (resid 577 and name   HN)  4.0  2.2  1.5 ! A.1489 at  2.09e+06
assign (resid 574 and name   HB) (resid 579 and name   HA)  3.0  1.2  0.3 ! A.1335 at -1.51e+07
assign (resid 574 and name HG1#) (resid 579 and name   HN)  4.0  2.2  1.9 ! A.1345 at -2.43e+06
assign (resid 574 and name HG2#) (resid 579 and name   HA)  3.0  1.2  0.8 ! A.1362 at -3.04e+07
assign (resid 574 and name HG2#) (resid 579 and name  HB1)  3.0  1.2  0.8 ! A.1363 at -9.16e+06
assign (resid 574 and name HG2#) (resid 579 and name  HB2)  4.0  2.2  1.5 ! A.1364 at -4.00e+06
assign (resid 574 and name HG2#) (resid 579 and name   HN)  3.0  1.2  1.4 ! A.1365 at -8.66e+06
assign (resid 574 and name HG2#) (resid 579 and name   HG)  4.0  2.2  1.5 ! A.1561 at -2.54e+06
assign (resid 574 and name HG2#) (resid 580 and name   HN)  4.0  2.2  1.5 ! A.1366 at -2.97e+06
assign (resid 574 and name HG1#) (resid 580 and name   HA)  3.0  1.2  1.4 ! A.1576 at -6.75e+06
assign (resid 574 and name HG1#) (resid 580 and name   HN)  3.0  1.2  1.8 ! A.1602 at  1.23e+07
assign (resid 574 and name   HB) (resid 581 and name   HA)  4.0  2.2  1.0 ! A.1336 at -2.02e+06
assign (resid 574 and name HG1#) (resid 581 and name   HA)  2.5  0.7  0.7 ! A.1619 at -4.94e+07
assign (resid 574 and name HG1#) (resid 581 and name  HG2)  3.0  1.2  0.8 ! A.1347 at -1.24e+07
assign (resid 574 and name HG1#) (resid 581 and name   HN)  3.0  1.2  1.0 ! A.1348 at -7.04e+06
assign (resid 574 and name   HN) (resid 581 and name   HA)  4.0  2.2  1.3 ! A.1378 at  2.73e+06
assign (resid 574 and name   HA) (resid 581 and name   HA)  3.0  1.2  0.3 ! A.1618 at -9.66e+06
assign (resid 574 and name HG1#) (resid 581 and name  HB2)  4.0  2.2  1.5 ! A.1626 at -4.40e+06
assign (resid 574 and name   HA) (resid 581 and name  HG1)  4.0  2.2  2.0 ! A.1635 at -2.77e+06
assign (resid 574 and name HG1#) (resid 581 and name  HG1)  3.0  1.2  1.6 ! A.1637 at -1.33e+07
assign (resid 574 and name   HA) (resid 581 and name  HG2)  4.0  2.2  1.0 ! A.1636 at -3.08e+06
assign (resid 574 and name HG1#) (resid 581 and name HE21)  4.0  2.2  1.5 ! A.1669 at  3.26e+06
assign (resid 574 and name HG1#) (resid 581 and name HE22)  4.0  2.2  1.8 ! A.1670 at  3.47e+06
assign (resid 574 and name   HB) (resid 582 and name HD2#)  4.0  2.2  2.5 ! A.1337 at -1.59e+06
assign (resid 574 and name HG1#) (resid 582 and name HD2#)  4.0  2.2  2.0 ! A.1349 at -3.36e+06
assign (resid 574 and name HG1#) (resid 582 and name   HN)  3.0  1.2  1.0 ! A.1350 at -1.80e+07
assign (resid 574 and name HG2#) (resid 582 and name HD2#)  4.0  2.2  2.0 ! A.1367 at -4.03e+06
assign (resid 574 and name   HN) (resid 582 and name  HB1)  4.0  2.2  1.0 ! A.1379 at  3.30e+06
assign (resid 574 and name   HN) (resid 582 and name HD2#)  3.0  1.2  1.7 ! A.1380 at  9.29e+06
assign (resid 574 and name   HA) (resid 582 and name HD1#)  4.0  2.2  1.5 ! A.1699 at -4.98e+06
assign (resid 574 and name   HA) (resid 582 and name HD2#)  3.0  1.2  0.8 ! A.1718 at -6.87e+06
assign (resid 574 and name   HA) (resid 582 and name   HG)  3.0  1.2  1.9 ! A.1739 at -6.73e+06
assign (resid 574 and name   HA) (resid 582 and name   HN)  3.0  1.2  0.5 ! A.1744 at  3.08e+07
assign (resid 574 and name   HN) (resid 582 and name   HN)  4.0  2.2  1.0 ! A.1745 at  3.15e+06
assign (resid 574 and name   HN) (resid 594 and name  HG1)  4.0  2.2  1.0 ! A.1381 at  4.38e+06

! C575
assign (resid 575 and name  HB1) (resid 575 and name   HN)  3.0  1.2  0.5 ! A.1398 at -1.19e+07
assign (resid 575 and name  HB2) (resid 575 and name   HN)  3.0  1.2  0.5 ! A.1399 at -1.19e+07
assign (resid 575 and name   HA) (resid 576 and name   HN)  2.5  0.7  0.4 ! A.1385 at -4.66e+07
assign (resid 575 and name   HN) (resid 576 and name   HN)  4.0  2.2  1.0 ! A.1425 at  3.71e+06
assign (resid 575 and name   HA) (resid 576 and name  HB#)  4.0  2.2  1.5 ! A.1446 at -2.90e+06
assign (resid 575 and name  HB1) (resid 576 and name   HN)  4.0  2.2  1.0 ! A.1461 at  4.56e+06
assign (resid 575 and name  HB2) (resid 576 and name   HN)  3.0  1.2  1.4 ! A.1462 at  1.09e+07
assign (resid 575 and name   HA) (resid 577 and name   HN)  3.0  1.2  1.7 ! A.1490 at  1.01e+07
assign (resid 575 and name  HB1) (resid 577 and name   HN)  4.0  2.2  2.0 ! A.1400 at -1.24e+06
assign (resid 575 and name  HB2) (resid 577 and name   HN)  4.0  2.2  2.0 ! A.1401 at -1.18e+06
assign (resid 575 and name   HN) (resid 577 and name   HN)  4.0  2.2  2.0 ! A.1426 at  1.08e+06
assign (resid 575 and name   HA) (resid 578 and name   HN)  4.0  2.2  1.0 ! A.1518 at  4.33e+06
assign (resid 575 and name   HA) (resid 579 and name   HN)  4.0  2.2  2.2 ! A.1387 at -2.13e+06
assign (resid 575 and name  HB1) (resid 579 and name   HA)  4.0  2.2  1.0 ! A.1402 at -3.77e+06
assign (resid 575 and name  HB1) (resid 579 and name   HN)  3.0  1.2  1.2 ! A.1404 at -7.31e+06
assign (resid 575 and name  HB2) (resid 579 and name   HA)  4.0  2.2  1.0 ! A.1403 at -3.07e+06
assign (resid 575 and name  HB2) (resid 579 and name   HN)  4.0  2.2  2.0 ! A.1405 at -4.47e+06
assign (resid 575 and name   HN) (resid 579 and name   HA)  3.0  1.2  0.5 ! A.1427 at  7.92e+06
assign (resid 575 and name   HN) (resid 579 and name   HN)  3.0  1.2  1.8 ! A.1428 at  5.92e+06
assign (resid 575 and name  HB1) (resid 580 and name  HB1)  4.0  2.2  1.5 ! A.1406 at -2.48e+06
assign (resid 575 and name  HB1) (resid 580 and name  HD1)  4.0  2.2  1.0 ! A.1407 at -2.12e+06
assign (resid 575 and name  HB1) (resid 580 and name  HG2)  4.0  2.2  1.0 ! A.1409 at -4.22e+06
assign (resid 575 and name  HB1) (resid 580 and name   HN)  3.0  1.2  0.5 ! A.1411 at -1.08e+07
assign (resid 575 and name  HB2) (resid 580 and name  HD1)  4.0  2.2  1.0 ! A.1408 at -2.27e+06
assign (resid 575 and name  HB2) (resid 580 and name  HG2)  4.0  2.2  1.0 ! A.1410 at -3.50e+06
assign (resid 575 and name  HB2) (resid 580 and name   HN)  3.0  1.2  1.8 ! A.1412 at -7.64e+06
assign (resid 575 and name   HN) (resid 580 and name  HB1)  4.0  2.2  1.9 ! A.1429 at  6.59e+06
assign (resid 575 and name   HN) (resid 580 and name  HD1)  4.0  2.2  1.5 ! A.1430 at  3.72e+06
assign (resid 575 and name   HN) (resid 580 and name   HN)  4.0  2.2  1.0 ! A.1431 at -2.68e+06
assign (resid 575 and name   HA) (resid 580 and name   HN)  4.0  2.2  2.0 ! A.1603 at  4.19e+06
assign (resid 575 and name   HN) (resid 581 and name   HA)  3.0  1.2  1.2 ! A.1432 at  8.08e+06
assign (resid 575 and name   HA) (resid 582 and name HD1#)  3.0  1.2  0.8 ! A.1388 at -9.50e+06
assign (resid 575 and name   HA) (resid 582 and name HD2#)  3.0  1.2  0.8 ! A.1389 at -1.81e+07
assign (resid 575 and name  HB1) (resid 582 and name HD1#)  3.0  1.2  0.8 ! A.1701 at -8.87e+06
assign (resid 575 and name  HB1) (resid 582 and name HD2#)  4.0  2.2  1.5 ! A.1414 at -2.90e+06
assign (resid 575 and name  HB2) (resid 582 and name HD2#)  4.0  2.2  1.5 ! A.1415 at -3.69e+06
assign (resid 575 and name   HN) (resid 582 and name  HB2)  4.0  2.2  1.0 ! A.1433 at  4.44e+06
assign (resid 575 and name   HN) (resid 582 and name HD2#)  3.0  1.2  1.0 ! A.1434 at  1.08e+07
assign (resid 575 and name  HB2) (resid 582 and name HD1#)  3.0  1.2  0.8 ! A.1702 at -1.59e+07
assign (resid 575 and name   HN) (resid 582 and name HD1#)  3.0  1.2  1.0 ! A.1703 at -7.66e+06
assign (resid 575 and name   HN) (resid 582 and name   HG)  4.0  2.2  1.3 ! A.1740 at -3.91e+06
assign (resid 575 and name   HA) (resid 594 and name  HB2)  3.0  1.2  0.3 ! A.1390 at -1.16e+07
assign (resid 575 and name   HA) (resid 594 and name  HG1)  4.0  2.2  1.0 ! A.1391 at -3.32e+06
assign (resid 575 and name   HA) (resid 595 and name   HA)  3.0  1.2  0.3 ! A.1392 at -1.89e+07
assign (resid 575 and name  HB1) (resid 595 and name   HA)  4.0  2.2  2.0 ! A.1416 at -1.34e+06
assign (resid 575 and name  HB2) (resid 595 and name   HA)  4.0  2.2  1.0 ! A.1417 at -3.07e+06
assign (resid 575 and name   HN) (resid 595 and name   HA)  4.0  2.2  2.0 ! A.1435 at  1.68e+06
assign (resid 575 and name   HA) (resid 595 and name   HN)  4.0  2.2  1.0 ! A.2254 at  3.41e+06
assign (resid 575 and name   HA) (resid 596 and name   HN)  3.0  1.2  0.8 ! A.1393 at -7.89e+06
assign (resid 575 and name  HB1) (resid 596 and name   HN)  4.0  2.2  1.0 ! A.1418 at -3.65e+06
assign (resid 575 and name  HB2) (resid 596 and name   HN)  3.0  1.2  0.5 ! A.1419 at -6.16e+06
assign (resid 575 and name   HN) (resid 596 and name   HN)  4.0  2.2  1.6 ! A.1436 at  2.40e+06
assign (resid 575 and name  HB2) (resid 596 and name  HB1)  4.0  2.2  1.0 ! A.2279 at -2.22e+06

! A576
assign (resid 576 and name  HB#) (resid 576 and name   HN)  2.5  0.7  0.9 ! A.1448 at -5.14e+07
assign (resid 576 and name   HA) (resid 577 and name   HA)  4.0  2.2  1.0 ! A.1439 at -2.35e+06
assign (resid 576 and name   HA) (resid 577 and name  HB2)  4.0  2.2  1.0 ! A.1440 at -2.06e+06
assign (resid 576 and name   HA) (resid 577 and name   HN)  3.0  1.2  0.5 ! A.1441 at -7.32e+06
assign (resid 576 and name  HB#) (resid 577 and name  HB2)  3.0  1.2  1.4 ! A.1449 at -1.51e+07
assign (resid 576 and name  HB#) (resid 577 and name   HN)  3.0  1.2  1.0 ! A.1450 at -1.07e+07
assign (resid 576 and name   HN) (resid 577 and name  HB2)  4.0  2.2  1.0 ! A.1466 at  2.77e+06
assign (resid 576 and name   HN) (resid 577 and name   HN)  3.0  1.2  0.7 ! A.1467 at  1.63e+07
assign (resid 576 and name  HB#) (resid 578 and name   HN)  4.0  2.2  1.5 ! A.1519 at  3.48e+06
assign (resid 576 and name   HA) (resid 579 and name   HN)  4.0  2.2  1.0 ! A.1442 at -2.43e+06
assign (resid 576 and name   HN) (resid 579 and name   HN)  4.0  2.2  2.1 ! A.1468 at  2.10e+06
assign (resid 576 and name   HA) (resid 579 and name HD1#)  3.0  1.2  0.8 ! A.1547 at -1.06e+07
assign (resid 576 and name   HA) (resid 582 and name HD2#)  4.0  2.2  2.5 ! A.1443 at -1.78e+06
assign (resid 576 and name  HB#) (resid 582 and name HD2#)  4.0  2.2  2.0 ! A.1451 at -2.73e+06
assign (resid 576 and name   HN) (resid 582 and name  HB1)  4.0  2.2  2.0 ! A.1469 at  2.06e+06
assign (resid 576 and name   HN) (resid 582 and name HD1#)  4.0  2.2  1.5 ! A.1470 at  4.60e+06
assign (resid 576 and name   HN) (resid 582 and name HD2#)  3.0  1.2  1.0 ! A.1471 at  1.02e+07
assign (resid 576 and name  HB#) (resid 593 and name  HB1)  3.0  1.2  0.8 ! A.1452 at -1.64e+07
assign (resid 576 and name  HB#) (resid 593 and name   HN)  4.0  2.2  1.5 ! A.1453 at -2.11e+06
assign (resid 576 and name   HN) (resid 593 and name  HB1)  4.0  2.2  2.0 ! A.1472 at  1.74e+06
assign (resid 576 and name  HB#) (resid 593 and name  HB2)  3.0  1.2  0.8 ! A.2129 at -8.09e+06
assign (resid 576 and name  HB#) (resid 593 and name  HD1)  3.0  1.2  0.8 ! A.2139 at -1.68e+07
assign (resid 576 and name   HA) (resid 594 and name  HB1)  4.0  2.2  2.9 ! A.1444 at -2.26e+06
assign (resid 576 and name   HA) (resid 594 and name  HG2)  4.0  2.2  1.0 ! A.1445 at -2.55e+06
assign (resid 576 and name  HB#) (resid 594 and name  HD2)  3.0  1.2  0.8 ! A.1454 at -1.30e+07
assign (resid 576 and name  HB#) (resid 594 and name  HG1)  4.0  2.2  1.5 ! A.1455 at -3.78e+06
assign (resid 576 and name  HB#) (resid 594 and name  HG2)  3.0  1.2  0.8 ! A.1456 at -2.07e+07
assign (resid 576 and name   HN) (resid 594 and name  HB1)  4.0  2.2  1.0 ! A.1473 at  3.64e+06
assign (resid 576 and name   HN) (resid 594 and name  HG1)  3.0  1.2  0.8 ! A.1474 at  7.40e+06
assign (resid 576 and name   HN) (resid 594 and name  HG2)  3.0  1.2  0.5 ! A.1475 at  8.55e+06
assign (resid 576 and name   HN) (resid 594 and name  HD1)  4.0  2.2  2.0 ! A.2187 at -1.63e+06
assign (resid 576 and name  HB#) (resid 595 and name   HA)  4.0  2.2  1.5 ! A.1457 at -4.31e+06
assign (resid 576 and name   HN) (resid 595 and name   HA)  3.0  1.2  0.5 ! A.1476 at  2.76e+07
assign (resid 576 and name  HB#) (resid 596 and name   HN)  4.0  2.2  2.5 ! A.1458 at -1.32e+06
assign (resid 576 and name   HN) (resid 596 and name   HN)  4.0  2.2  1.1 ! A.1477 at  6.08e+06
assign (resid 576 and name  HB#) (resid 603 and name HD1#)  4.0  2.2  2.0 ! A.1459 at -3.05e+06

! F577
assign (resid 577 and name  HB1) (resid 577 and name   HN)  3.0  1.2  0.5 ! A.1484 at -8.88e+06
assign (resid 577 and name  HB2) (resid 577 and name   HN)  3.0  1.2  0.5 ! A.1485 at -1.15e+07
assign (resid 577 and name  HB1) (resid 578 and name   HN)  3.0  1.2  0.5 ! A.1486 at -1.04e+07
assign (resid 577 and name  HB2) (resid 578 and name   HN)  3.0  1.2  0.5 ! A.1487 at -8.54e+06
assign (resid 577 and name   HN) (resid 578 and name   HA)  4.0  2.2  1.0 ! A.1497 at  2.28e+06
assign (resid 577 and name   HN) (resid 578 and name   HN)  2.5  0.7  0.4 ! A.1498 at  6.43e+07
assign (resid 577 and name  HB1) (resid 578 and name  HB1)  4.0  2.2  2.0 ! A.1504 at -1.30e+06
assign (resid 577 and name  HB1) (resid 578 and name  HB2)  4.0  2.2  1.0 ! A.1505 at -2.54e+06
assign (resid 577 and name   HA) (resid 578 and name   HN)  3.0  1.2  0.5 ! A.1520 at  1.33e+07
assign (resid 577 and name   HN) (resid 579 and name   HN)  3.0  1.2  0.5 ! A.1499 at  1.58e+07
assign (resid 577 and name   HN) (resid 579 and name HD1#)  4.0  2.2  1.5 ! A.1548 at -3.66e+06
assign (resid 577 and name   HA) (resid 579 and name   HN)  4.0  2.2  1.0 ! A.1567 at  2.58e+06
assign (resid 577 and name   HN) (resid 582 and name HD2#)  4.0  2.2  2.5 ! A.1500 at  1.38e+06
assign (resid 577 and name   HN) (resid 595 and name   HA)  3.0  1.2  2.0 ! A.1501 at  6.27e+06
assign (resid 577 and name  HB1) (resid 599 and name  HB2)  4.0  2.2  1.0 ! A.1488 at -1.96e+06
assign (resid 577 and name  HB1) (resid 599 and name  HB1)  4.0  2.2  1.0 ! A.2413 at -5.19e+06
assign (resid 577 and name  HB1) (resid 603 and name HD2#)  3.0  1.2  1.6 ! A.2618 at -7.37e+06
assign (resid 577 and name  HB2) (resid 603 and name HD2#)  3.0  1.2  1.4 ! A.2619 at -1.10e+07
assign (resid 577 and name   HN) (resid 603 and name HD2#)  4.0  2.2  3.0 ! A.2620 at -4.18e+06

! C578
assign (resid 578 and name  HB1) (resid 578 and name   HN)  3.0  1.2  0.5 ! A.1510 at -8.48e+06
assign (resid 578 and name  HB2) (resid 578 and name   HN)  3.0  1.2  0.9 ! A.1511 at -9.26e+06
assign (resid 578 and name  HB1) (resid 579 and name HD1#)  4.0  2.2  2.5 ! A.1512 at -1.54e+06
assign (resid 578 and name  HB1) (resid 579 and name   HN)  4.0  2.2  1.0 ! A.1513 at -2.77e+06
assign (resid 578 and name  HB2) (resid 579 and name   HN)  4.0  2.2  1.0 ! A.1514 at -2.72e+06
assign (resid 578 and name   HN) (resid 579 and name HD1#)  3.0  1.2  1.0 ! A.1527 at  1.01e+07
assign (resid 578 and name   HN) (resid 579 and name   HG)  4.0  2.2  1.0 ! A.1528 at  4.20e+06
assign (resid 578 and name   HN) (resid 579 and name   HN)  2.5  0.7  0.7 ! A.1529 at  5.24e+07
assign (resid 578 and name   HN) (resid 579 and name   HA)  4.0  2.2  1.0 ! A.1533 at -5.24e+06
assign (resid 578 and name   HA) (resid 579 and name   HG)  4.0  2.2  1.0 ! A.1562 at -3.01e+06
assign (resid 578 and name   HA) (resid 579 and name   HN)  3.0  1.2  0.5 ! A.1569 at  1.44e+07
assign (resid 578 and name  HB1) (resid 580 and name  HD1)  4.0  2.2  2.0 ! A.1515 at -1.46e+06
assign (resid 578 and name  HB1) (resid 580 and name  HG2)  4.0  2.2  1.6 ! A.1516 at -2.77e+06
assign (resid 578 and name  HB2) (resid 580 and name   HN)  4.0  2.2  2.0 ! A.1517 at -1.46e+06
assign (resid 578 and name   HN) (resid 580 and name  HG2)  4.0  2.2  1.2 ! A.1530 at  3.31e+06
assign (resid 578 and name   HN) (resid 580 and name   HN)  3.0  1.2  1.4 ! A.1604 at  6.74e+06
assign (resid 578 and name   HN) (resid 595 and name   HA)  4.0  2.2  1.0 ! A.1532 at  1.87e+06


! L579
assign (resid 579 and name   HA) (resid 579 and name   HG)  3.0  1.2  0.3 ! A.1534 at -7.32e+06
assign (resid 579 and name  HB1) (resid 579 and name   HN)  4.0  2.2  1.0 ! A.1543 at -4.54e+06
assign (resid 579 and name  HB2) (resid 579 and name   HN)  4.0  2.2  1.0 ! A.1544 at -3.40e+06
assign (resid 579 and name HD1#) (resid 579 and name   HA)  2.5  0.7  1.1 ! A.1550 at -6.06e+07
assign (resid 579 and name HD1#) (resid 579 and name  HB1)  3.0  1.2  0.8 ! A.1551 at -2.66e+07
assign (resid 579 and name HD1#) (resid 579 and name  HB2)  3.0  1.2  0.8 ! A.1552 at -3.38e+07
assign (resid 579 and name HD1#) (resid 579 and name   HN)  3.0  1.2  1.5 ! A.1554 at -3.33e+07 !! relaxed
assign (resid 579 and name HD2#) (resid 579 and name   HA)  3.0  1.2  0.8 ! A.1556 at -1.32e+07
assign (resid 579 and name HD2#) (resid 579 and name  HB1)  2.5  0.7  0.7 ! A.1557 at -5.01e+07
assign (resid 579 and name HD2#) (resid 579 and name  HB2)  2.5  0.7  0.7 ! A.1558 at -4.49e+07
assign (resid 579 and name HD2#) (resid 579 and name   HN)  4.0  2.2  1.5 ! A.1560 at -5.69e+06
assign (resid 579 and name   HG) (resid 579 and name   HN)  3.0  1.2  0.5 ! A.1565 at -8.25e+06
assign (resid 579 and name   HA) (resid 580 and name   HN)  3.0  1.2  0.5 ! A.1536 at -1.27e+07
assign (resid 579 and name  HB1) (resid 580 and name   HN)  4.0  2.2  2.0 ! A.1545 at -1.23e+06
assign (resid 579 and name  HB2) (resid 580 and name   HN)  4.0  2.2  1.0 ! A.1546 at -2.28e+06
assign (resid 579 and name HD1#) (resid 580 and name   HN)  3.0  1.2  1.3 ! A.1606 at  1.00e+07
assign (resid 579 and name   HN) (resid 580 and name   HN)  3.0  1.2  0.5 ! A.1575 at  1.52e+07
assign (resid 579 and name   HG) (resid 580 and name   HN)  4.0  2.2  1.0 ! A.1607 at  3.00e+06

! K580
assign (resid 580 and name   HA) (resid 580 and name  HD1)  4.0  2.2  1.3 ! A.1578 at -4.84e+07
assign (resid 580 and name   HA) (resid 580 and name  HG2)  3.0  1.2  0.7 ! A.1579 at -2.69e+07
assign (resid 580 and name  HB1) (resid 580 and name  HD1)  2.5  0.7  0.9 ! A.1583 at -7.62e+07
assign (resid 580 and name  HB1) (resid 580 and name  HE1)  3.0  1.2  1.6 ! A.1584 at -8.12e+06
assign (resid 580 and name  HB1) (resid 580 and name   HN)  3.0  1.2  0.5 ! A.1586 at -2.56e+07
assign (resid 580 and name  HD1) (resid 580 and name   HN)  4.0  2.2  1.0 ! A.1591 at -4.69e+06
assign (resid 580 and name  HE1) (resid 580 and name  HG2)  2.5  0.7  0.6 ! A.1594 at -9.29e+07
assign (resid 580 and name  HG1) (resid 580 and name  HE1)  3.0  1.2  0.3 ! A.1598 at -3.60e+07
assign (resid 580 and name  HG2) (resid 580 and name   HN)  3.0  1.2  0.5 ! A.1600 at -1.19e+07
assign (resid 580 and name   HN) (resid 580 and name  HE1)  4.0  2.2  1.0 ! A.1612 at  3.69e+06
assign (resid 580 and name   HN) (resid 580 and name  HG1)  2.5  0.7  0.9 ! A.1613 at  5.56e+07
assign (resid 580 and name   HA) (resid 581 and name   HN)  2.5  0.7  1.2 ! A.1581 at -1.18e+08
assign (resid 580 and name  HB1) (resid 581 and name   HN)  3.0  1.2  0.8 ! A.1587 at -1.04e+07
assign (resid 580 and name  HD1) (resid 581 and name   HN)  3.0  1.2  0.9 ! A.1654 at  3.64e+07
assign (resid 580 and name  HE1) (resid 581 and name   HN)  4.0  2.2  1.0 ! A.1655 at  2.80e+06
assign (resid 580 and name  HG2) (resid 581 and name   HN)  3.0  1.2  0.8 ! A.1656 at  3.31e+07
assign (resid 580 and name   HN) (resid 581 and name   HN)  3.0  1.2  0.5 ! A.1657 at  9.97e+06
assign (resid 580 and name  HD1) (resid 582 and name HD1#)  3.0  1.2  2.0 ! A.1592 at -9.79e+06
assign (resid 580 and name  HE1) (resid 582 and name HD1#)  3.0  1.2  1.4 ! A.1595 at -1.89e+07
assign (resid 580 and name  HG2) (resid 582 and name HD1#)  4.0  2.2  1.5 ! A.1601 at -3.25e+06
assign (resid 580 and name   HN) (resid 582 and name HD1#)  4.0  2.2  1.5 ! A.1615 at  2.47e+06
assign (resid 580 and name   HN) (resid 582 and name HD2#)  4.0  2.2  2.7 ! A.1616 at  1.98e+06
assign (resid 580 and name  HG1) (resid 582 and name HD1#)  3.0  1.2  1.8 ! A.1705 at -7.89e+06
assign (resid 580 and name  HG1) (resid 582 and name   HN)  4.0  2.2  1.7 ! A.1746 at  6.06e+06
!assign (resid 580 and name   HN) (resid 596 and name   HN)  4.0  2.2  2.9 ! A.1617 at  1.48e+06
assign (resid 580 and name  HD1) (resid 596 and name  HB1)  4.0  2.2  1.5 ! A.2280 at -4.25e+06
assign (resid 580 and name  HG2) (resid 596 and name  HB1)  4.0  2.2  2.0 ! A.2282 at -1.46e+06
assign (resid 580 and name  HD1) (resid 596 and name  HB2)  4.0  2.2  1.8 ! A.2281 at -4.38e+06 !! relaxed
assign (resid 580 and name  HD1) (resid 596 and name   HN)  4.0  2.2  2.2 ! A.2305 at  3.50e+06 !! relaxed
assign (resid 580 and name  HG2) (resid 596 and name   HN)  4.0  2.2  2.3 ! A.2306 at  3.22e+06

! Q581
assign (resid 581 and name  HB1) (resid 581 and name   HN)  3.0  1.2  0.5 ! A.1629 at -3.31e+07
assign (resid 581 and name  HB2) (resid 581 and name   HN)  3.0  1.2  0.5 ! A.1630 at -2.80e+07
assign (resid 581 and name  HG1) (resid 581 and name   HA)  3.0  1.2  0.3 ! A.1639 at -1.29e+07
assign (resid 581 and name  HG1) (resid 581 and name HE21)  3.0  1.2  0.6 ! A.1643 at -1.80e+07
assign (resid 581 and name  HG1) (resid 581 and name HE22)  3.0  1.2  1.1 ! A.1645 at -7.85e+06
assign (resid 581 and name  HG1) (resid 581 and name   HN)  4.0  2.2  1.1 ! A.1647 at -7.93e+06
assign (resid 581 and name  HG2) (resid 581 and name   HA)  3.0  1.2  0.3 ! A.1640 at -1.46e+07
assign (resid 581 and name  HG2) (resid 581 and name HE21)  3.0  1.2  0.3 ! A.1644 at -1.14e+07
assign (resid 581 and name  HG2) (resid 581 and name HE22)  3.0  1.2  0.6 ! A.1646 at -8.69e+06
assign (resid 581 and name  HG2) (resid 581 and name   HN)  3.0  1.2  1.7 ! A.1648 at -7.78e+06
assign (resid 581 and name HE21) (resid 581 and name  HB1)  3.0  1.2  0.3 ! A.1671 at  9.72e+06
assign (resid 581 and name HE21) (resid 581 and name  HB2)  3.0  1.2  1.2 ! A.1673 at  9.72e+06
assign (resid 581 and name HE22) (resid 581 and name  HB1)  3.0  1.2  0.9 ! A.1672 at  9.00e+06
assign (resid 581 and name HE22) (resid 581 and name  HB2)  4.0  2.2  1.0 ! A.1674 at  9.00e+06
assign (resid 581 and name   HN) (resid 581 and name HE21)  4.0  2.2  2.0 ! A.1661 at  1.78e+06
assign (resid 581 and name   HA) (resid 582 and name  HB2)  4.0  2.2  1.0 ! A.1623 at -4.07e+06
assign (resid 581 and name   HA) (resid 582 and name   HG)  4.0  2.2  2.5 ! A.1624 at -6.60e+06
assign (resid 581 and name   HA) (resid 582 and name   HN)  2.5  0.7  0.4 ! A.1625 at -6.11e+07
assign (resid 581 and name  HB1) (resid 582 and name   HN)  3.0  1.2  0.5 ! A.1631 at -5.76e+06
assign (resid 581 and name  HB2) (resid 582 and name   HN)  4.0  2.2  1.0 ! A.1632 at -3.59e+06
assign (resid 581 and name  HG1) (resid 582 and name   HN)  3.0  1.2  1.2 ! A.1650 at -9.35e+06
assign (resid 581 and name  HG2) (resid 582 and name  HB2)  4.0  2.2  1.6 ! A.1649 at -2.58e+06
assign (resid 581 and name  HG2) (resid 582 and name   HN)  3.0  1.2  0.5 ! A.1651 at -8.44e+06
assign (resid 581 and name HE21) (resid 582 and name  HB1)  4.0  2.2  1.0 ! A.1679 at  2.89e+06
assign (resid 581 and name HE21) (resid 582 and name   HN)  4.0  2.2  1.0 ! A.1681 at  4.17e+06
assign (resid 581 and name HE22) (resid 582 and name  HB1)  4.0  2.2  2.0 ! A.1680 at  1.42e+06
assign (resid 581 and name HE22) (resid 582 and name   HN)  4.0  2.2  1.0 ! A.1682 at  2.10e+06
assign (resid 581 and name   HN) (resid 582 and name HD2#)  4.0  2.2  2.5 ! A.1664 at  1.39e+06
assign (resid 581 and name   HN) (resid 582 and name   HG)  4.0  2.2  2.4 ! A.1665 at  1.96e+06
assign (resid 581 and name   HA) (resid 582 and name   HA)  4.0  2.2  1.0 ! A.1685 at -2.75e+06
assign (resid 581 and name  HB1) (resid 582 and name   HA)  4.0  2.2  1.0 ! A.1686 at -4.14e+06
assign (resid 581 and name  HG2) (resid 582 and name   HA)  4.0  2.2  1.3 ! A.1687 at -2.35e+06
assign (resid 581 and name   HN) (resid 582 and name   HN)  4.0  2.2  1.0 ! A.1750 at  3.52e+06
assign (resid 581 and name HE21) (resid 583 and name  HB1)  4.0  2.2  2.0 ! A.1683 at  1.75e+06
assign (resid 581 and name HE22) (resid 583 and name  HB1)  4.0  2.2  1.0 ! A.1684 at  2.28e+06

! L582
assign (resid 582 and name   HA) (resid 582 and name HD1#)  2.5  0.7  0.7 ! A.1690 at -4.37e+07
assign (resid 582 and name   HA) (resid 582 and name HD2#)  3.0  1.2  0.8 ! A.1691 at -8.42e+06
assign (resid 582 and name   HA) (resid 582 and name   HG)  3.0  1.2  0.3 ! A.1692 at -8.87e+06
assign (resid 582 and name  HB1) (resid 582 and name HD2#)  3.0  1.2  0.8 ! A.1695 at -8.33e+06
assign (resid 582 and name  HB1) (resid 582 and name   HN)  4.0  2.2  1.0 ! A.1697 at -3.18e+06
assign (resid 582 and name  HB2) (resid 582 and name HD2#)  3.0  1.2  0.8 ! A.1696 at -6.57e+06
assign (resid 582 and name  HB2) (resid 582 and name   HN)  4.0  2.2  1.0 ! A.1698 at -3.26e+06
assign (resid 582 and name HD1#) (resid 582 and name   HN)  3.0  1.2  1.3 ! A.1708 at -1.39e+07
assign (resid 582 and name HD2#) (resid 582 and name   HN)  4.0  2.2  1.0 ! A.1729 at -8.53e+06
assign (resid 582 and name   HG) (resid 582 and name   HN)  3.0  1.2  1.8 ! A.1742 at -6.01e+06
assign (resid 582 and name HD1#) (resid 583 and name   HA)  4.0  2.2  1.5 ! A.1757 at -4.30e+06
assign (resid 582 and name   HG) (resid 583 and name   HA)  4.0  2.2  1.0 ! A.1758 at -4.05e+06
assign (resid 582 and name   HA) (resid 583 and name  HB1)  4.0  2.2  1.0 ! A.1763 at -2.58e+06
assign (resid 582 and name   HA) (resid 583 and name   HN)  2.5  0.7  0.4 ! A.1773 at  4.71e+07
assign (resid 582 and name  HB1) (resid 583 and name   HN)  3.0  1.2  0.5 ! A.1774 at  1.94e+07
assign (resid 582 and name HD1#) (resid 583 and name   HN)  3.0  1.2  1.0 ! A.1775 at  2.16e+07
assign (resid 582 and name HD2#) (resid 583 and name   HN)  3.0  1.2  1.0 ! A.1776 at  6.46e+06
assign (resid 582 and name   HG) (resid 583 and name   HN)  3.0  1.2  0.5 ! A.1777 at  7.96e+06
assign (resid 582 and name HD1#) (resid 586 and name   HN)  4.0  2.2  1.5 ! A.1849 at  2.61e+06
assign (resid 582 and name HD2#) (resid 586 and name   HN)  4.0  2.2  2.5 ! A.1850 at  1.08e+06
assign (resid 582 and name HD1#) (resid 587 and name   HA)  3.0  1.2  0.8 ! A.1709 at -6.92e+06
assign (resid 582 and name HD1#) (resid 587 and name  HB1)  3.0  1.2  0.8 ! A.1710 at -1.06e+07
assign (resid 582 and name HD2#) (resid 587 and name   HA)  3.0  1.2  0.8 ! A.1865 at -7.40e+06
assign (resid 582 and name HD2#) (resid 587 and name  HB2)  3.0  1.2  0.8 ! A.1731 at -1.42e+07
assign (resid 582 and name HD2#) (resid 587 and name  HB1)  3.0  1.2  0.8 ! A.1873 at -6.83e+06
assign (resid 582 and name HD1#) (resid 587 and name   HN)  4.0  2.2  1.1 ! A.1881 at  8.16e+06
assign (resid 582 and name HD2#) (resid 587 and name   HN)  4.0  2.2  1.5 ! A.1882 at  5.18e+06
assign (resid 582 and name HD1#) (resid 588 and name   HN)  3.0  1.2  1.0 ! A.1711 at -6.77e+06
assign (resid 582 and name HD2#) (resid 588 and name   HN)  3.0  1.2  1.0 ! A.1959 at  5.87e+06
assign (resid 582 and name HD2#) (resid 594 and name  HG1)  3.0  1.2  0.8 ! A.1733 at -6.42e+06
assign (resid 582 and name HD2#) (resid 594 and name   HA)  4.0  2.2  1.5 ! A.2158 at -5.47e+06
assign (resid 582 and name HD2#) (resid 594 and name  HB1)  4.0  2.2  1.5 ! A.2172 at -5.18e+06
assign (resid 582 and name HD2#) (resid 594 and name  HB2)  3.0  1.2  0.8 ! A.2173 at -1.43e+07
assign (resid 582 and name HD2#) (resid 594 and name  HD1)  4.0  2.2  2.5 ! A.2188 at -1.33e+06
assign (resid 582 and name HD2#) (resid 594 and name  HD2)  4.0  2.2  2.5 ! A.2189 at -1.34e+06
assign (resid 582 and name HD2#) (resid 594 and name  HG2)  4.0  2.2  1.5 ! A.2205 at -4.33e+06
assign (resid 582 and name HD1#) (resid 595 and name   HA)  4.0  2.2  1.5 ! A.1712 at -3.49e+06
assign (resid 582 and name HD2#) (resid 595 and name   HA)  4.0  2.2  1.5 ! A.1734 at -5.01e+06
assign (resid 582 and name HD2#) (resid 595 and name   HN)  3.0  1.2  1.0 ! A.2256 at  6.63e+06
assign (resid 582 and name HD1#) (resid 595 and name   HN)  4.0  2.2  1.5 ! A.2255 at  3.24e+06
assign (resid 582 and name HD1#) (resid 596 and name   HA)  3.0  1.2  0.8 ! A.1713 at -2.43e+07
assign (resid 582 and name HD1#) (resid 596 and name  HB1)  3.0  1.2  0.8 ! A.1714 at -1.79e+07
assign (resid 582 and name HD1#) (resid 596 and name  HB2)  3.0  1.2  0.8 ! A.1715 at -2.32e+07
assign (resid 582 and name HD1#) (resid 596 and name   HN)  3.0  1.2  1.0 ! A.1716 at -9.41e+06
assign (resid 582 and name HD2#) (resid 596 and name   HA)  3.0  1.2  0.8 ! A.1736 at -6.25e+06
assign (resid 582 and name HD2#) (resid 596 and name  HB1)  4.0  2.2  1.5 ! A.1737 at -1.83e+06
assign (resid 582 and name HD2#) (resid 596 and name   HN)  3.0  1.2  1.0 ! A.2308 at  8.46e+06
assign (resid 582 and name   HG) (resid 596 and name  HB1)  4.0  2.2  2.0 ! A.2287 at -1.33e+06
assign (resid 582 and name HD2#) (resid 596 and name  HB2)  4.0  2.2  1.5 ! A.2286 at -2.16e+06
assign (resid 582 and name   HG) (resid 596 and name  HB2)  4.0  2.2  2.3 ! A.2288 at -1.61e+06
assign (resid 582 and name HD1#) (resid 597 and name   HN)  3.0  1.2  1.0 ! A.1717 at -8.49e+06
assign (resid 582 and name HD2#) (resid 597 and name   HN)  4.0  2.2  1.5 ! A.2344 at  1.83e+06

! N583
assign (resid 583 and name  HB1) (resid 583 and name HD21)  4.0  2.2  1.0 ! A.1767 at -2.86e+06
assign (resid 583 and name  HB1) (resid 583 and name   HN)  3.0  1.2  0.5 ! A.1769 at -1.09e+07
assign (resid 583 and name  HB2) (resid 583 and name HD21)  4.0  2.2  1.0 ! A.1768 at -4.03e+06
assign (resid 583 and name  HB2) (resid 583 and name   HN)  3.0  1.2  0.8 ! A.1770 at -9.77e+06
assign (resid 583 and name HD22) (resid 583 and name  HB2)  4.0  2.2  1.0 ! A.1782 at  4.01e+06
assign (resid 583 and name   HA) (resid 584 and name   HN)  3.0  1.2  0.5 ! A.1762 at -1.43e+07
assign (resid 583 and name  HB1) (resid 584 and name   HN)  4.0  2.2  1.0 ! A.1771 at -2.21e+06
assign (resid 583 and name  HB2) (resid 584 and name   HN)  4.0  2.2  1.0 ! A.1772 at -2.96e+06
assign (resid 583 and name   HA) (resid 584 and name   HA)  4.0  2.2  1.0 ! A.1786 at -2.75e+06
assign (resid 583 and name   HN) (resid 584 and name   HN)  4.0  2.2  2.0 ! A.1810 at  1.43e+06
assign (resid 583 and name  HB1) (resid 585 and name   HN)  4.0  2.2  1.0 ! A.1827 at  2.63e+06
assign (resid 583 and name  HB2) (resid 585 and name   HN)  4.0  2.2  2.0 ! A.1828 at  9.60e+05
assign (resid 583 and name HD22) (resid 586 and name HG2#)  4.0  2.2  1.5 ! A.1842 at -2.65e+06
assign (resid 583 and name   HN) (resid 586 and name   HN)  4.0  2.2  1.0 ! A.1851 at  2.78e+06

! K584
assign (resid 584 and name   HA) (resid 584 and name  HD1)  4.0  2.2  1.0 ! A.1788 at -5.15e+06
assign (resid 584 and name   HA) (resid 584 and name  HG1)  3.0  1.2  0.3 ! A.1789 at -2.72e+07
assign (resid 584 and name  HB1) (resid 584 and name  HE1)  3.0  1.2  0.7 ! A.1795 at -6.84e+06
assign (resid 584 and name  HB1) (resid 584 and name   HN)  4.0  2.2  1.0 ! A.1797 at -5.04e+06
assign (resid 584 and name  HD1) (resid 584 and name   HN)  4.0  2.2  2.0 ! A.1799 at -1.59e+06
assign (resid 584 and name  HG1) (resid 584 and name   HN)  4.0  2.2  2.0 ! A.1804 at -1.35e+06
assign (resid 584 and name   HA) (resid 585 and name   HN)  3.0  1.2  0.5 ! A.1790 at -5.91e+06
assign (resid 584 and name  HB1) (resid 585 and name   HN)  3.0  1.2  0.5 ! A.1829 at  8.90e+06
assign (resid 584 and name  HD1) (resid 585 and name   HN)  4.0  2.2  1.0 ! A.1800 at -2.41e+06
assign (resid 584 and name  HG1) (resid 585 and name   HN)  3.0  1.2  0.5 ! A.1830 at  7.76e+06
assign (resid 584 and name  HB1) (resid 585 and name  HA1)  4.0  2.2  1.0 ! A.1814 at -3.76e+06
assign (resid 584 and name  HD1) (resid 585 and name  HA1)  4.0  2.2  2.0 ! A.1816 at -1.45e+06
assign (resid 584 and name  HG1) (resid 585 and name  HA1)  4.0  2.2  1.0 ! A.1817 at -4.92e+06
assign (resid 584 and name  HB1) (resid 585 and name  HA2)  4.0  2.2  1.0 ! A.1815 at -1.96e+06
assign (resid 584 and name  HG1) (resid 585 and name  HA2)  4.0  2.2  1.0 ! A.1818 at -3.61e+06
assign (resid 584 and name   HA) (resid 586 and name   HN)  4.0  2.2  1.0 ! A.1791 at -3.44e+06
assign (resid 584 and name  HB1) (resid 586 and name   HN)  4.0  2.2  1.3 ! A.1852 at  4.05e+06
assign (resid 584 and name  HG1) (resid 586 and name   HN)  4.0  2.2  1.0 ! A.1853 at  2.39e+06
assign (resid 584 and name  HB1) (resid 587 and name   HN)  4.0  2.2  1.6 ! A.1883 at  3.30e+06
assign (resid 584 and name  HD1) (resid 587 and name   HN)  4.0  2.2  2.0 ! A.1884 at  1.77e+06
assign (resid 584 and name  HG1) (resid 587 and name   HN)  4.0  2.2  1.0 ! A.1885 at  2.07e+06

! G585
assign (resid 585 and name  HA1) (resid 586 and name HG2#)  3.0  1.2  0.8 ! A.1823 at -6.52e+06
assign (resid 585 and name  HA1) (resid 586 and name   HN)  3.0  1.2  0.5 ! A.1825 at -7.99e+06
assign (resid 585 and name  HA2) (resid 586 and name HG2#)  3.0  1.2  0.8 ! A.1824 at -6.64e+06
assign (resid 585 and name  HA2) (resid 586 and name   HN)  3.0  1.2  0.5 ! A.1826 at -7.04e+06
assign (resid 585 and name   HN) (resid 586 and name   HN)  3.0  1.2  0.5 ! A.1833 at  8.12e+06
assign (resid 585 and name   HN) (resid 586 and name HG2#)  4.0  2.2  1.5 ! A.1844 at -2.35e+06
assign (resid 585 and name   HN) (resid 587 and name   HN)  4.0  2.2  1.0 ! A.1834 at  3.74e+06
assign (resid 585 and name  HA1) (resid 587 and name   HN)  3.0  1.2  1.9 ! A.1886 at  1.83e+07
assign (resid 585 and name  HA2) (resid 587 and name   HN)  4.0  2.2  1.0 ! A.1887 at  3.73e+06

! T586
assign (resid 586 and name   HA) (resid 586 and name HG2#)  3.0  1.2  0.8 ! A.1836 at -2.77e+07
assign (resid 586 and name   HB) (resid 586 and name   HN)  4.0  2.2  1.0 ! A.1839 at -4.83e+06
assign (resid 586 and name HG2#) (resid 586 and name   HN)  3.0  1.2  1.0 ! A.1847 at -2.19e+07
assign (resid 586 and name   HB) (resid 587 and name   HN)  3.0  1.2  1.5 ! A.1890 at  6.68e+06
assign (resid 586 and name HG2#) (resid 587 and name   HN)  4.0  2.2  1.5 ! A.1848 at -3.91e+06
assign (resid 586 and name   HN) (resid 587 and name   HA)  4.0  2.2  1.0 ! A.1860 at  3.21e+06
assign (resid 586 and name   HN) (resid 587 and name  HB1)  3.0  1.2  1.7 ! A.1861 at  9.67e+06
assign (resid 586 and name   HN) (resid 587 and name  HB2)  4.0  2.2  1.1 ! A.1862 at  7.14e+06
assign (resid 586 and name   HN) (resid 587 and name   HN)  2.5  0.7  0.4 ! A.1863 at  4.42e+07
assign (resid 586 and name   HA) (resid 587 and name   HN)  3.0  1.2  0.5 ! A.1889 at  4.23e+07
assign (resid 586 and name   HB) (resid 597 and name  HG1)  4.0  2.2  1.1 ! A.1841 at -6.77e+06
assign (resid 586 and name   HB) (resid 597 and name  HB1)  4.0  2.2  1.0 ! A.2329 at -5.27e+06

! F587
assign (resid 587 and name  HB1) (resid 587 and name   HN)  4.0  2.2  1.0 ! A.1877 at -4.69e+06
assign (resid 587 and name  HB2) (resid 587 and name   HN)  3.0  1.2  0.8 ! A.1878 at -6.03e+06
assign (resid 587 and name   HA) (resid 588 and name  HG1)  4.0  2.2  1.3 ! A.1869 at -3.45e+06
assign (resid 587 and name   HA) (resid 588 and name  HG2)  4.0  2.2  1.0 ! A.1870 at -4.61e+06
assign (resid 587 and name   HA) (resid 588 and name   HN)  2.5  0.7  0.4 ! A.1960 at  6.31e+07
assign (resid 587 and name  HB1) (resid 588 and name   HN)  2.5  0.7  1.2 ! A.1961 at  4.96e+07
assign (resid 587 and name  HB2) (resid 588 and name   HN)  3.0  1.2  0.5 ! A.1880 at -6.54e+06
assign (resid 587 and name   HN) (resid 588 and name   HN)  3.0  1.2  1.4 ! A.1895 at  1.07e+07
assign (resid 587 and name  HB1) (resid 588 and name   HA)  4.0  2.2  1.5 ! A.1897 at -2.76e+06
assign (resid 587 and name  HB1) (resid 594 and name   HA)  4.0  2.2  1.9 ! A.2159 at -2.89e+06
assign (resid 587 and name  HB1) (resid 594 and name  HB2)  4.0  2.2  1.4 ! A.2174 at -2.44e+06
assign (resid 587 and name   HA) (resid 597 and name  HG1)  4.0  2.2  2.0 ! A.1872 at -1.71e+06
!assign (resid 587 and name   HN) (resid 597 and name  HG1)  4.0  2.2  2.0 ! A.1896 at  1.55e+06
assign (resid 587 and name   HA) (resid 597 and name   HN)  4.0  2.2  1.0 ! A.2345 at  2.77e+06

! K588
assign (resid 588 and name   HA) (resid 588 and name  HE1)  4.0  2.2  1.0 ! A.1900 at -4.07e+06
assign (resid 588 and name  HB1) (resid 588 and name  HE1)  4.0  2.2  1.0 ! A.1908 at -3.08e+06
assign (resid 588 and name  HB1) (resid 588 and name   HN)  3.0  1.2  0.8 ! A.1910 at -6.58e+06
assign (resid 588 and name  HB2) (resid 588 and name  HE1)  4.0  2.2  1.0 ! A.1909 at -2.74e+06
assign (resid 588 and name  HB2) (resid 588 and name   HN)  4.0  2.2  1.0 ! A.1911 at -3.70e+06
assign (resid 588 and name  HD1) (resid 588 and name   HA)  3.0  1.2  0.7 ! A.1920 at -1.70e+07
assign (resid 588 and name  HD2) (resid 588 and name   HA)  3.0  1.2  0.8 ! A.1921 at -1.32e+07
assign (resid 588 and name  HE1) (resid 588 and name   HN)  4.0  2.2  2.0 ! A.1936 at -1.09e+06
assign (resid 588 and name  HE2) (resid 588 and name   HA)  4.0  2.2  1.0 ! A.1929 at -4.27e+06
assign (resid 588 and name  HE2) (resid 588 and name  HB1)  3.0  1.2  0.9 ! A.1931 at -1.56e+07
assign (resid 588 and name  HE2) (resid 588 and name  HB2)  3.0  1.2  1.3 ! A.1933 at -1.18e+07
assign (resid 588 and name  HE2) (resid 588 and name   HN)  4.0  2.2  2.0 ! A.1937 at -1.35e+06
assign (resid 588 and name  HG1) (resid 588 and name   HA)  3.0  1.2  0.7 ! A.1942 at -6.09e+06
assign (resid 588 and name  HG1) (resid 588 and name  HE1)  3.0  1.2  0.3 ! A.1945 at -6.14e+06
assign (resid 588 and name  HG1) (resid 588 and name   HN)  4.0  2.2  1.0 ! A.1949 at -5.01e+06
assign (resid 588 and name  HG2) (resid 588 and name   HA)  4.0  2.2  1.0 ! A.1943 at -4.70e+06
assign (resid 588 and name  HG2) (resid 588 and name  HE1)  4.0  2.2  1.0 ! A.1946 at -5.46e+06
assign (resid 588 and name  HG2) (resid 588 and name   HN)  4.0  2.2  1.0 ! A.1950 at -3.14e+06
assign (resid 588 and name   HA) (resid 589 and name  HB1)  3.0  1.2  1.1 ! A.1902 at -7.76e+06
assign (resid 588 and name   HA) (resid 589 and name   HN)  2.5  0.7  0.4 ! A.1903 at -7.05e+07
assign (resid 588 and name  HB1) (resid 589 and name   HN)  3.0  1.2  0.5 ! A.2003 at  2.22e+07
assign (resid 588 and name  HB2) (resid 589 and name   HN)  2.5  0.7  1.3 ! A.2004 at  4.32e+07
assign (resid 588 and name  HD1) (resid 589 and name   HN)  4.0  2.2  1.0 ! A.1925 at -3.84e+06
assign (resid 588 and name  HD2) (resid 589 and name   HN)  4.0  2.2  1.0 ! A.1926 at -2.37e+06
assign (resid 588 and name  HE1) (resid 589 and name   HN)  4.0  2.2  1.4 ! A.1938 at -3.65e+06
assign (resid 588 and name  HE2) (resid 589 and name   HN)  4.0  2.2  1.0 ! A.1939 at -2.23e+06
assign (resid 588 and name  HG1) (resid 589 and name   HN)  4.0  2.2  1.0 ! A.1951 at -2.45e+06
assign (resid 588 and name  HG2) (resid 589 and name   HN)  4.0  2.2  2.0 ! A.1952 at -1.49e+06
assign (resid 588 and name   HN) (resid 589 and name   HN)  3.0  1.2  1.3 ! A.1970 at  6.94e+06
assign (resid 588 and name   HA) (resid 589 and name   HA)  4.0  2.2  1.0 ! A.1977 at -3.69e+06
assign (resid 588 and name  HB1) (resid 589 and name   HA)  4.0  2.2  1.0 ! A.1978 at -4.35e+06
assign (resid 588 and name  HB2) (resid 589 and name   HA)  4.0  2.2  1.0 ! A.1979 at -1.91e+06
assign (resid 588 and name  HB1) (resid 595 and name  HB2)  4.0  2.2  1.0 ! A.1914 at -4.27e+06
assign (resid 588 and name  HB1) (resid 595 and name   HN)  4.0  2.2  1.0 ! A.1915 at -1.96e+06
assign (resid 588 and name  HB2) (resid 595 and name   HN)  4.0  2.2  1.0 ! A.2258 at  3.68e+06
assign (resid 588 and name   HN) (resid 595 and name  HB2)  4.0  2.2  1.0 ! A.1971 at  5.23e+06
assign (resid 588 and name   HN) (resid 595 and name   HN)  3.0  1.2  0.5 ! A.1972 at  7.33e+06
assign (resid 588 and name  HB1) (resid 595 and name  HB1)  4.0  2.2  1.0 ! A.2232 at -2.26e+06
assign (resid 588 and name  HB2) (resid 595 and name  HB1)  4.0  2.2  2.0 ! A.2234 at -1.60e+06
assign (resid 588 and name   HN) (resid 595 and name  HB1)  4.0  2.2  1.0 ! A.2236 at -2.10e+06
assign (resid 588 and name  HB2) (resid 595 and name  HB2)  4.0  2.2  1.0 ! A.2235 at -2.39e+06
assign (resid 588 and name   HA) (resid 595 and name   HN)  4.0  2.2  1.0 ! A.2257 at  3.34e+06
assign (resid 588 and name   HN) (resid 596 and name   HA)  3.0  1.2  0.5 ! A.2274 at -6.88e+06
assign (resid 588 and name  HB1) (resid 597 and name   HA)  3.0  1.2  0.8 ! A.2316 at -7.61e+06
assign (resid 588 and name  HD1) (resid 597 and name   HA)  4.0  2.2  1.0 ! A.1927 at -2.19e+06
assign (resid 588 and name  HE1) (resid 597 and name   HA)  4.0  2.2  2.0 ! A.1940 at -1.29e+06
assign (resid 588 and name  HE2) (resid 597 and name   HA)  4.0  2.2  1.0 ! A.1941 at -1.81e+06
assign (resid 588 and name  HG1) (resid 597 and name   HA)  3.0  1.2  0.3 ! A.1953 at -6.31e+06
assign (resid 588 and name  HG2) (resid 597 and name   HA)  3.0  1.2  0.3 ! A.1954 at -5.88e+06
assign (resid 588 and name   HN) (resid 597 and name   HA)  4.0  2.2  1.0 ! A.1974 at  2.85e+06
assign (resid 588 and name   HN) (resid 597 and name  HB1)  4.0  2.2  1.3 ! A.1975 at  2.02e+06
assign (resid 588 and name   HN) (resid 597 and name   HN)  4.0  2.2  1.0 ! A.2346 at  2.89e+06
assign (resid 588 and name  HG1) (resid 597 and name  HB1)  4.0  2.2  1.0 ! A.2330 at -2.58e+06
assign (resid 588 and name  HG2) (resid 597 and name  HB1)  3.0  1.2  0.8 ! A.2331 at -5.95e+06
assign (resid 588 and name  HG1) (resid 597 and name  HG1)  4.0  2.2  1.2 ! A.2338 at -4.69e+06
assign (resid 588 and name  HD1) (resid 597 and name HE21)  4.0  2.2  1.0 ! A.2355 at  2.30e+06
assign (resid 588 and name  HD2) (resid 597 and name HE21)  3.0  1.2  0.6 ! A.2357 at  8.26e+06
assign (resid 588 and name  HD1) (resid 597 and name HE22)  4.0  2.2  1.0 ! A.2356 at  4.52e+06
assign (resid 588 and name  HB1) (resid 600 and name  HB2)  4.0  2.2  1.0 ! A.1918 at -5.02e+06
assign (resid 588 and name  HB2) (resid 600 and name  HB2)  4.0  2.2  1.0 ! A.1919 at -1.82e+06
assign (resid 588 and name  HG1) (resid 600 and name  HB2)  4.0  2.2  1.0 ! A.1956 at -3.65e+06
assign (resid 588 and name  HG2) (resid 600 and name  HB1)  4.0  2.2  1.0 ! A.1955 at -1.83e+06
assign (resid 588 and name  HG2) (resid 600 and name  HB2)  4.0  2.2  1.0 ! A.1957 at -2.26e+06
assign (resid 588 and name  HB1) (resid 600 and name   HN)  4.0  2.2  1.0 ! A.2465 at  2.51e+06
assign (resid 588 and name  HG1) (resid 600 and name   HN)  4.0  2.2  1.0 ! A.2466 at  4.69e+06
assign (resid 588 and name  HG1) (resid 601 and name   HN)  4.0  2.2  1.0 ! A.2520 at  2.05e+06

! E589
assign (resid 589 and name   HA) (resid 589 and name  HG1)  3.0  1.2  0.7 ! A.1981 at -1.76e+07
assign (resid 589 and name   HA) (resid 589 and name  HG2)  3.0  1.2  0.7 ! A.1982 at -1.76e+07
assign (resid 589 and name  HB1) (resid 589 and name   HN)  3.0  1.2  0.5 ! A.1991 at -1.55e+07
assign (resid 589 and name  HB2) (resid 589 and name   HN)  3.0  1.2  1.0 ! A.1992 at -1.52e+07
assign (resid 589 and name  HG1) (resid 589 and name   HN)  3.0  1.2  0.9 ! A.1995 at -8.94e+06
assign (resid 589 and name  HG2) (resid 589 and name   HN)  3.0  1.2  0.5 ! A.1996 at -1.08e+07
assign (resid 589 and name   HA) (resid 590 and name   HA)  4.0  2.2  1.0 ! A.1984 at -2.61e+06
assign (resid 589 and name   HA) (resid 590 and name   HN)  2.5  0.7  0.4 ! A.1985 at -5.77e+07
assign (resid 589 and name  HG1) (resid 590 and name   HN)  3.0  1.2  0.5 ! A.1997 at -9.90e+06
assign (resid 589 and name  HG2) (resid 590 and name   HN)  3.0  1.2  1.1 ! A.1998 at -8.56e+06
assign (resid 589 and name  HB2) (resid 590 and name   HN)  3.0  1.2  0.5 ! A.2031 at  3.14e+07
assign (resid 589 and name   HN) (resid 590 and name   HN)  3.0  1.2  1.3 ! A.2032 at  6.35e+06
assign (resid 589 and name  HG1) (resid 592 and name   HA)  4.0  2.2  1.0 ! A.1999 at -5.68e+06
assign (resid 589 and name   HA) (resid 592 and name   HN)  4.0  2.2  2.0 ! A.2116 at  1.76e+06
assign (resid 589 and name  HB2) (resid 592 and name   HN)  3.0  1.2  1.5 ! A.2117 at  1.17e+07
assign (resid 589 and name  HG1) (resid 592 and name   HN)  3.0  1.2  0.5 ! A.2118 at  1.37e+07
assign (resid 589 and name   HA) (resid 593 and name   HN)  3.0  1.2  1.2 ! A.2149 at  1.10e+07
assign (resid 589 and name  HG1) (resid 593 and name   HN)  4.0  2.2  1.0 ! A.2000 at -3.69e+06
assign (resid 589 and name  HG2) (resid 593 and name   HN)  4.0  2.2  1.3 ! A.2001 at -3.04e+06
assign (resid 589 and name   HA) (resid 594 and name   HA)  3.0  1.2  0.3 ! A.1987 at -1.52e+07
assign (resid 589 and name   HN) (resid 594 and name   HA)  4.0  2.2  1.0 ! A.2009 at  2.63e+06
assign (resid 589 and name  HB2) (resid 594 and name   HA)  3.0  1.2  0.3 ! A.2161 at -6.10e+06
assign (resid 589 and name   HA) (resid 595 and name  HB2)  4.0  2.2  2.0 ! A.1988 at -1.68e+06
assign (resid 589 and name   HA) (resid 595 and name   HN)  3.0  1.2  0.5 ! A.2260 at  1.10e+07
assign (resid 589 and name  HB2) (resid 595 and name   HN)  4.0  2.2  1.0 ! A.2261 at  4.74e+06
assign (resid 589 and name   HN) (resid 595 and name   HN)  4.0  2.2  1.0 ! A.2262 at  2.45e+06
assign (resid 589 and name   HN) (resid 600 and name  HB2)  4.0  2.2  1.0 ! A.2010 at  2.38e+06

! Q590
assign (resid 590 and name  HB1) (resid 590 and name   HN)  4.0  2.2  1.0 ! A.2020 at -2.47e+06
assign (resid 590 and name  HG1) (resid 590 and name   HA)  3.0  1.2  0.3 ! A.2022 at -6.46e+06
assign (resid 590 and name  HG1) (resid 590 and name   HN)  4.0  2.2  1.0 ! A.2028 at -3.36e+06
assign (resid 590 and name  HG2) (resid 590 and name   HA)  3.0  1.2  0.7 ! A.2023 at -6.75e+06
assign (resid 590 and name  HG2) (resid 590 and name   HN)  4.0  2.2  1.0 ! A.2029 at -3.15e+06
assign (resid 590 and name HE21) (resid 590 and name   HA)  3.0  1.2  0.3 ! A.2044 at  7.31e+06
assign (resid 590 and name HE21) (resid 590 and name  HB1)  3.0  1.2  0.3 ! A.2046 at  7.61e+06
assign (resid 590 and name HE21) (resid 590 and name  HB2)  3.0  1.2  0.3 ! A.2048 at  6.37e+06
assign (resid 590 and name HE21) (resid 590 and name  HG1)  3.0  1.2  0.6 ! A.2050 at  6.11e+06
assign (resid 590 and name HE22) (resid 590 and name   HA)  3.0  1.2  0.6 ! A.2045 at  6.08e+06
assign (resid 590 and name HE22) (resid 590 and name  HB1)  4.0  2.2  1.0 ! A.2047 at  5.59e+06
assign (resid 590 and name HE22) (resid 590 and name  HB2)  4.0  2.2  1.0 ! A.2049 at  4.83e+06
assign (resid 590 and name HE22) (resid 590 and name  HG2)  4.0  2.2  1.0 ! A.2051 at  4.51e+06
assign (resid 590 and name   HN) (resid 590 and name  HB2)  4.0  2.2  1.0 ! A.2035 at  4.58e+06
assign (resid 590 and name   HA) (resid 591 and name   HN)  3.0  1.2  0.5 ! A.2015 at -1.81e+07
assign (resid 590 and name  HB1) (resid 591 and name  HB2)  4.0  2.2  1.0 ! A.2021 at -3.02e+06
assign (resid 590 and name   HN) (resid 591 and name  HB1)  4.0  2.2  1.9 ! A.2038 at  4.37e+06
assign (resid 590 and name   HN) (resid 591 and name  HB2)  4.0  2.2  1.0 ! A.2039 at  2.34e+06
assign (resid 590 and name  HB1) (resid 591 and name   HA)  4.0  2.2  1.3 ! A.2056 at -3.11e+06
assign (resid 590 and name  HB2) (resid 591 and name   HA)  4.0  2.2  2.3 ! A.2057 at -2.01e+06
assign (resid 590 and name  HB2) (resid 591 and name  HB2)  4.0  2.2  2.0 ! A.2064 at -1.23e+06
assign (resid 590 and name  HG1) (resid 591 and name  HB2)  4.0  2.2  1.0 ! A.2065 at -3.02e+06
assign (resid 590 and name  HG2) (resid 591 and name  HB2)  4.0  2.2  1.0 ! A.2066 at -2.61e+06
assign (resid 590 and name  HB1) (resid 591 and name HD21)  4.0  2.2  1.0 ! A.2087 at  3.14e+06
assign (resid 590 and name  HB2) (resid 591 and name HD21)  4.0  2.2  1.0 ! A.2089 at  2.13e+06
assign (resid 590 and name  HG1) (resid 591 and name HD21)  4.0  2.2  2.0 ! A.2091 at  1.62e+06
assign (resid 590 and name  HB1) (resid 591 and name HD22)  4.0  2.2  1.0 ! A.2088 at  3.30e+06
assign (resid 590 and name  HB2) (resid 591 and name HD22)  4.0  2.2  2.0 ! A.2090 at  1.67e+06
assign (resid 590 and name  HG1) (resid 591 and name HD22)  4.0  2.2  2.0 ! A.2092 at  1.40e+06
assign (resid 590 and name  HB1) (resid 591 and name   HN)  4.0  2.2  1.0 ! A.2080 at  2.95e+06
assign (resid 590 and name  HB2) (resid 591 and name   HN)  4.0  2.2  1.0 ! A.2081 at  2.10e+06
assign (resid 590 and name  HG1) (resid 591 and name   HN)  4.0  2.2  1.0 ! A.2082 at  3.86e+06
assign (resid 590 and name   HN) (resid 593 and name   HA)  4.0  2.2  1.0 ! A.2040 at  1.91e+06
assign (resid 590 and name   HN) (resid 593 and name   HN)  3.0  1.2  0.5 ! A.2041 at  4.05e+07
assign (resid 590 and name   HN) (resid 594 and name   HA)  3.0  1.2  1.2 ! A.2042 at  8.30e+06
assign (resid 590 and name   HN) (resid 603 and name HD1#)  4.0  2.2  1.5 ! A.2043 at  2.12e+06
assign (resid 590 and name HE21) (resid 604 and name   HA)  4.0  2.2  1.0 ! A.2052 at  2.45e+06
assign (resid 590 and name HE21) (resid 604 and name  HB1)  4.0  2.2  1.0 ! A.2054 at  2.89e+06
assign (resid 590 and name HE22) (resid 604 and name   HA)  4.0  2.2  1.0 ! A.2053 at  2.71e+06
assign (resid 590 and name HE22) (resid 604 and name  HB1)  4.0  2.2  1.0 ! A.2055 at  2.72e+06

! N591
assign (resid 591 and name  HB1) (resid 591 and name HD21)  3.0  1.2  0.3 ! A.2071 at -8.67e+06
assign (resid 591 and name  HB1) (resid 591 and name HD22)  4.0  2.2  1.0 ! A.2073 at -3.55e+06
assign (resid 591 and name  HB2) (resid 591 and name HD21)  3.0  1.2  0.3 ! A.2072 at -1.11e+07
assign (resid 591 and name  HB2) (resid 591 and name HD22)  3.0  1.2  0.6 ! A.2074 at -7.27e+06
assign (resid 591 and name  HB2) (resid 591 and name   HN)  4.0  2.2  1.0 ! A.2075 at -2.32e+06
assign (resid 591 and name HD21) (resid 591 and name   HA)  4.0  2.2  1.0 ! A.2093 at  4.18e+06
assign (resid 591 and name HD22) (resid 591 and name   HA)  4.0  2.2  1.0 ! A.2094 at  3.80e+06
assign (resid 591 and name   HN) (resid 591 and name  HB1)  4.0  2.2  1.0 ! A.2084 at  5.11e+06
assign (resid 591 and name   HA) (resid 592 and name   HN)  3.0  1.2  0.5 ! A.2061 at -3.71e+07
assign (resid 591 and name  HB1) (resid 592 and name   HN)  3.0  1.2  1.3 ! A.2076 at -6.67e+06
assign (resid 591 and name  HB2) (resid 592 and name   HN)  4.0  2.2  1.0 ! A.2077 at -5.68e+06
assign (resid 591 and name   HN) (resid 592 and name   HN)  3.0  1.2  0.5 ! A.2086 at  8.62e+06
assign (resid 591 and name   HA) (resid 593 and name   HN)  4.0  2.2  1.0 ! A.2062 at -4.06e+06
assign (resid 591 and name  HB2) (resid 593 and name  HG1)  4.0  2.2  2.0 ! A.2078 at -1.56e+06
assign (resid 591 and name  HB2) (resid 593 and name   HN)  4.0  2.2  1.0 ! A.2079 at -1.92e+06

! D592
assign (resid 592 and name  HB1) (resid 592 and name   HN)  3.0  1.2  1.0 ! A.2109 at -1.32e+07
assign (resid 592 and name  HB2) (resid 592 and name   HN)  3.0  1.2  0.5 ! A.2110 at -1.16e+07
assign (resid 592 and name   HA) (resid 593 and name   HN)  3.0  1.2  0.5 ! A.2104 at -2.11e+07
assign (resid 592 and name  HB1) (resid 593 and name  HB1)  3.0  1.2  1.8 ! A.2111 at -6.16e+06
assign (resid 592 and name  HB1) (resid 593 and name   HN)  3.0  1.2  1.1 ! A.2114 at -8.31e+06
assign (resid 592 and name  HB2) (resid 593 and name  HB1)  4.0  2.2  2.4 ! A.2112 at -2.70e+06 !! relaxed
assign (resid 592 and name  HB2) (resid 593 and name  HG2)  4.0  2.2  1.0 ! A.2113 at -2.10e+06
assign (resid 592 and name  HB2) (resid 593 and name   HN)  4.0  2.2  1.0 ! A.2115 at -4.65e+06
assign (resid 592 and name   HN) (resid 593 and name  HG2)  4.0  2.2  1.0 ! A.2123 at  3.54e+06
assign (resid 592 and name   HN) (resid 593 and name   HN)  3.0  1.2  0.5 ! A.2124 at  4.16e+07
assign (resid 592 and name  HB1) (resid 593 and name  HG1)  4.0  2.2  1.0 ! A.2142 at -4.63e+06

! K593
assign (resid 593 and name  HB1) (resid 593 and name   HN)  3.0  1.2  0.8 ! A.2135 at -7.01e+06
assign (resid 593 and name  HB2) (resid 593 and name   HN)  4.0  2.2  1.0 ! A.2136 at -5.63e+06
assign (resid 593 and name  HD1) (resid 593 and name   HA)  3.0  1.2  1.7 ! A.2140 at -9.89e+06
assign (resid 593 and name  HD1) (resid 593 and name   HN)  4.0  2.2  1.0 ! A.2141 at -3.56e+06
assign (resid 593 and name  HG1) (resid 593 and name   HN)  4.0  2.2  2.0 ! A.2146 at -1.46e+06
assign (resid 593 and name  HG2) (resid 593 and name   HA)  3.0  1.2  0.5 ! A.2143 at -5.99e+06
assign (resid 593 and name  HG2) (resid 593 and name   HN)  4.0  2.2  1.0 ! A.2147 at -3.37e+06
assign (resid 593 and name   HA) (resid 594 and name  HD2)  2.5  0.7  0.2 ! A.2127 at -5.13e+07
assign (resid 593 and name  HB1) (resid 594 and name  HD1)  4.0  2.2  1.0 ! A.2137 at -4.18e+06
assign (resid 593 and name  HB2) (resid 594 and name  HD1)  4.0  2.2  1.0 ! A.2138 at -4.63e+06
assign (resid 593 and name  HG2) (resid 594 and name  HD2)  4.0  2.2  1.0 ! A.2148 at -4.34e+06
assign (resid 593 and name   HN) (resid 594 and name  HD1)  3.0  1.2  1.9 ! A.2156 at  8.54e+06
assign (resid 593 and name   HN) (resid 594 and name  HD2)  3.0  1.2  1.8 ! A.2157 at  1.68e+07
assign (resid 593 and name   HA) (resid 594 and name  HD1)  3.0  1.2  0.3 ! A.2190 at -1.47e+07
assign (resid 593 and name  HB1) (resid 594 and name  HD2)  3.0  1.2  0.3 ! A.2192 at -6.13e+06
assign (resid 593 and name   HA) (resid 594 and name  HG1)  4.0  2.2  1.0 ! A.2206 at -2.55e+06
assign (resid 593 and name   HA) (resid 594 and name  HG2)  3.0  1.2  1.6 ! A.2207 at -1.17e+07

! P594
assign (resid 594 and name   HA) (resid 594 and name  HD1)  4.0  2.2  1.0 ! A.2165 at -3.30e+06
assign (resid 594 and name   HA) (resid 594 and name  HG1)  3.0  1.2  1.0 ! A.2166 at -8.79e+06
assign (resid 594 and name   HA) (resid 594 and name  HG2)  3.0  1.2  0.9 ! A.2167 at -7.06e+06
assign (resid 594 and name  HB1) (resid 594 and name  HD1)  4.0  2.2  1.0 ! A.2179 at -5.27e+06
assign (resid 594 and name  HB1) (resid 594 and name  HD2)  4.0  2.2  1.0 ! A.2180 at -5.27e+06
assign (resid 594 and name  HB2) (resid 594 and name  HD2)  4.0  2.2  1.0 ! A.2181 at -2.42e+06
assign (resid 594 and name  HD1) (resid 594 and name  HB2)  3.0  1.2  0.9 ! A.2196 at -1.28e+07
assign (resid 594 and name   HA) (resid 595 and name   HA)  4.0  2.2  1.0 ! A.2168 at -1.98e+06
assign (resid 594 and name   HA) (resid 595 and name  HB1)  4.0  2.2  1.5 ! A.2169 at -2.30e+06
assign (resid 594 and name   HA) (resid 595 and name  HB2)  4.0  2.2  1.0 ! A.2170 at -2.80e+06
assign (resid 594 and name   HA) (resid 595 and name   HN)  2.5  0.7  0.4 ! A.2263 at  8.39e+07
assign (resid 594 and name  HB1) (resid 595 and name   HN)  3.0  1.2  0.5 ! A.2264 at  1.03e+07
assign (resid 594 and name  HB2) (resid 595 and name   HA)  3.0  1.2  1.0 ! A.2224 at -7.79e+06
assign (resid 594 and name  HB2) (resid 595 and name   HN)  3.0  1.2  0.5 ! A.2265 at  2.21e+07
assign (resid 594 and name  HB1) (resid 595 and name   HA)  4.0  2.2  1.5 ! A.2223 at -2.01e+06
assign (resid 594 and name  HG2) (resid 595 and name   HA)  4.0  2.2  1.0 ! A.2225 at -1.81e+06
assign (resid 594 and name  HG1) (resid 595 and name   HN)  4.0  2.2  1.2 ! A.2266 at  4.46e+06
assign (resid 594 and name  HG2) (resid 595 and name   HN)  4.0  2.2  1.0 ! A.2267 at  3.15e+06
assign (resid 594 and name  HB2) (resid 596 and name   HN)  4.0  2.2  1.2 ! A.2309 at  6.15e+06

! Y595
assign (resid 595 and name  HB1) (resid 595 and name   HN)  4.0  2.2  1.0 ! A.2244 at -4.05e+06
assign (resid 595 and name  HB2) (resid 595 and name   HN)  3.0  1.2  0.5 ! A.2245 at -7.85e+06
assign (resid 595 and name   HA) (resid 596 and name   HA)  4.0  2.2  1.0 ! A.2229 at -2.51e+06
assign (resid 595 and name   HA) (resid 596 and name   HN)  2.5  0.7  0.4 ! A.2310 at  7.74e+07
assign (resid 595 and name  HB1) (resid 596 and name   HN)  3.0  1.2  0.5 ! A.2246 at -6.71e+06
assign (resid 595 and name  HB2) (resid 596 and name   HN)  4.0  2.2  1.0 ! A.2247 at -4.13e+06
assign (resid 595 and name   HN) (resid 596 and name   HA)  4.0  2.2  2.0 ! A.2271 at  1.58e+06
assign (resid 595 and name   HN) (resid 596 and name   HN)  4.0  2.2  1.0 ! A.2272 at  3.17e+06
assign (resid 595 and name   HA) (resid 599 and name  HB1)  4.0  2.2  1.0 ! A.2231 at -4.25e+06
assign (resid 595 and name  HB1) (resid 599 and name  HB1)  4.0  2.2  1.0 ! A.2248 at -3.45e+06
assign (resid 595 and name  HB1) (resid 599 and name   HN)  4.0  2.2  1.0 ! A.2249 at -1.88e+06
assign (resid 595 and name   HA) (resid 599 and name   HN)  4.0  2.2  1.5 ! A.2427 at  2.17e+06
assign (resid 595 and name  HB1) (resid 600 and name   HA)  4.0  2.2  1.0 ! A.2250 at -2.18e+06
assign (resid 595 and name  HB1) (resid 600 and name   HN)  4.0  2.2  1.0 ! A.2252 at -4.67e+06
assign (resid 595 and name  HB2) (resid 600 and name   HA)  4.0  2.2  1.0 ! A.2251 at -2.46e+06
assign (resid 595 and name  HB2) (resid 600 and name   HN)  4.0  2.2  1.0 ! A.2253 at -1.94e+06
assign (resid 595 and name   HA) (resid 600 and name   HN)  4.0  2.2  1.0 ! A.2467 at  3.12e+06

! C596
assign (resid 596 and name  HB1) (resid 596 and name   HN)  4.0  2.2  1.0 ! A.2293 at -4.58e+06
assign (resid 596 and name  HB2) (resid 596 and name   HN)  3.0  1.2  0.5 ! A.2294 at -5.94e+06
assign (resid 596 and name   HA) (resid 597 and name  HB1)  3.0  1.2  1.3 ! A.2277 at -1.01e+07
assign (resid 596 and name   HA) (resid 597 and name   HN)  2.5  0.7  0.4 ! A.2347 at  6.15e+07
assign (resid 596 and name  HB1) (resid 597 and name  HB1)  4.0  2.2  1.0 ! A.2295 at -1.90e+06
assign (resid 596 and name  HB1) (resid 597 and name   HN)  3.0  1.2  0.5 ! A.2297 at -1.14e+07
assign (resid 596 and name  HB2) (resid 597 and name  HB1)  4.0  2.2  1.0 ! A.2296 at -2.14e+06
assign (resid 596 and name  HB2) (resid 597 and name   HN)  3.0  1.2  0.5 ! A.2298 at -7.78e+06
assign (resid 596 and name   HA) (resid 597 and name   HA)  4.0  2.2  1.0 ! A.2319 at -3.17e+06
assign (resid 596 and name   HN) (resid 597 and name   HN)  4.0  2.2  1.0 ! A.2350 at  4.59e+06
assign (resid 596 and name  HB1) (resid 598 and name   HN)  3.0  1.2  0.5 ! A.2384 at  1.91e+07
assign (resid 596 and name  HB2) (resid 598 and name   HN)  4.0  2.2  1.0 ! A.2300 at -3.21e+06
assign (resid 596 and name   HN) (resid 598 and name   HN)  4.0  2.2  1.2 ! A.2385 at  1.83e+06
assign (resid 596 and name  HB1) (resid 599 and name   HN)  3.0  1.2  0.8 ! A.2429 at  6.92e+06
assign (resid 596 and name  HB2) (resid 599 and name   HN)  4.0  2.2  2.0 ! A.2302 at -1.50e+06
assign (resid 596 and name   HN) (resid 599 and name  HB2)  3.0  1.2  0.5 ! A.2315 at  8.03e+06
assign (resid 596 and name   HN) (resid 599 and name  HB1)  4.0  2.2  1.0 ! A.2416 at -3.54e+06
assign (resid 596 and name   HA) (resid 599 and name   HN)  4.0  2.2  1.0 ! A.2428 at  2.14e+06
assign (resid 596 and name   HN) (resid 599 and name   HN)  4.0  2.2  1.0 ! A.2430 at  4.86e+06
assign (resid 596 and name   HN) (resid 600 and name   HN)  4.0  2.2  1.0 ! A.2468 at  4.63e+06

! Q597
assign (resid 597 and name   HA) (resid 597 and name HE22)  3.0  1.2  0.3 ! A.2321 at -5.72e+06
assign (resid 597 and name   HA) (resid 597 and name  HG1)  3.0  1.2  0.7 ! A.2322 at -2.59e+07
assign (resid 597 and name  HB1) (resid 597 and name   HN)  3.0  1.2  0.5 ! A.2336 at -2.89e+07
assign (resid 597 and name  HG1) (resid 597 and name   HN)  3.0  1.2  1.0 ! A.2341 at -1.27e+07
assign (resid 597 and name HE21) (resid 597 and name  HB1)  4.0  2.2  2.0 ! A.2358 at  1.31e+06
assign (resid 597 and name HE21) (resid 597 and name  HG1)  3.0  1.2  0.6 ! A.2360 at  1.57e+07
assign (resid 597 and name HE22) (resid 597 and name  HB1)  4.0  2.2  2.0 ! A.2359 at  1.14e+06
assign (resid 597 and name HE22) (resid 597 and name  HG1)  3.0  1.2  1.1 ! A.2361 at  1.06e+07
assign (resid 597 and name   HA) (resid 598 and name   HN)  3.0  1.2  0.5 ! A.2324 at -8.92e+06
assign (resid 597 and name  HB1) (resid 598 and name   HN)  2.5  0.7  0.4 ! A.2387 at  5.08e+07
assign (resid 597 and name  HG1) (resid 598 and name   HN)  3.0  1.2  0.5 ! A.2342 at -1.01e+07
assign (resid 597 and name   HN) (resid 598 and name   HN)  3.0  1.2  0.5 ! A.2354 at  1.89e+07
assign (resid 597 and name  HB1) (resid 598 and name   HA)  4.0  2.2  1.0 ! A.2364 at -3.86e+06
assign (resid 597 and name  HG1) (resid 598 and name   HA)  4.0  2.2  1.0 ! A.2365 at -4.82e+06
assign (resid 597 and name  HB1) (resid 598 and name  HB1)  4.0  2.2  1.3 ! A.2373 at -2.80e+06
assign (resid 597 and name  HB1) (resid 599 and name   HN)  4.0  2.2  1.0 ! A.2431 at  3.05e+06
assign (resid 597 and name   HA) (resid 600 and name  HB1)  3.0  1.2  0.3 ! A.2325 at -2.01e+07
assign (resid 597 and name   HA) (resid 600 and name  HB2)  3.0  1.2  0.7 ! A.2326 at -1.23e+07
assign (resid 597 and name   HA) (resid 600 and name   HN)  3.0  1.2  0.5 ! A.2469 at  3.17e+07
assign (resid 597 and name   HA) (resid 601 and name  HB1)  4.0  2.2  1.0 ! A.2327 at -4.02e+06
assign (resid 597 and name   HA) (resid 601 and name   HN)  4.0  2.2  1.0 ! A.2328 at -4.55e+06
assign (resid 597 and name HE21) (resid 601 and name  HB1)  4.0  2.2  1.3 ! A.2362 at  4.58e+06
assign (resid 597 and name HE22) (resid 601 and name  HB1)  4.0  2.2  1.0 ! A.2363 at  2.00e+06
assign (resid 597 and name  HG1) (resid 601 and name HD2#)  3.0  1.2  0.8 ! A.2503 at -1.60e+07
assign (resid 597 and name  HG1) (resid 601 and name   HG)  4.0  2.2  2.4 ! A.2514 at -2.73e+06
assign (resid 597 and name  HG1) (resid 601 and name   HN)  4.0  2.2  1.0 ! A.2521 at  3.16e+06

! N598
assign (resid 598 and name   HA) (resid 598 and name HD21)  3.0  1.2  0.3 ! A.2367 at -6.21e+06
assign (resid 598 and name  HB1) (resid 598 and name HD21)  4.0  2.2  1.0 ! A.2376 at -2.54e+06
assign (resid 598 and name  HB1) (resid 598 and name   HN)  3.0  1.2  0.5 ! A.2378 at -3.35e+07
assign (resid 598 and name  HB2) (resid 598 and name HD21)  4.0  2.2  1.0 ! A.2377 at -4.12e+06
assign (resid 598 and name  HB2) (resid 598 and name   HN)  3.0  1.2  0.5 ! A.2379 at -3.56e+07
assign (resid 598 and name HD22) (resid 598 and name  HB1)  4.0  2.2  1.0 ! A.2399 at  3.79e+06
assign (resid 598 and name HD22) (resid 598 and name  HB2)  4.0  2.2  1.0 ! A.2401 at  3.23e+06
assign (resid 598 and name   HN) (resid 598 and name HD22)  4.0  2.2  1.8 ! A.2393 at  2.99e+06
assign (resid 598 and name   HA) (resid 599 and name   HN)  3.0  1.2  0.5 ! A.2369 at -1.03e+07
assign (resid 598 and name  HB1) (resid 599 and name   HN)  3.0  1.2  0.5 ! A.2380 at -1.50e+07
assign (resid 598 and name  HB2) (resid 599 and name   HN)  3.0  1.2  0.9 ! A.2381 at -1.62e+07
assign (resid 598 and name   HN) (resid 599 and name   HN)  2.5  0.7  0.4 ! A.2394 at  5.48e+07
assign (resid 598 and name   HA) (resid 600 and name   HN)  4.0  2.2  1.0 ! A.2470 at  5.24e+06
assign (resid 598 and name   HA) (resid 601 and name  HB1)  3.0  1.2  0.3 ! A.2370 at -2.23e+07
assign (resid 598 and name   HA) (resid 601 and name  HB2)  3.0  1.2  0.3 ! A.2371 at -1.03e+07
assign (resid 598 and name   HA) (resid 601 and name HD2#)  3.0  1.2  0.8 ! A.2372 at -2.79e+07
assign (resid 598 and name  HB1) (resid 601 and name HD2#)  4.0  2.2  1.5 ! A.2382 at -3.73e+06
assign (resid 598 and name  HB2) (resid 601 and name HD2#)  4.0  2.2  1.5 ! A.2383 at -5.68e+06
assign (resid 598 and name   HN) (resid 601 and name  HB1)  4.0  2.2  1.0 ! A.2395 at  3.53e+06
assign (resid 598 and name   HN) (resid 601 and name  HB2)  4.0  2.2  1.0 ! A.2396 at  3.56e+06
assign (resid 598 and name   HN) (resid 601 and name HD2#)  3.0  1.2  1.9 ! A.2397 at  5.96e+06
assign (resid 598 and name   HA) (resid 601 and name HD1#)  4.0  2.2  1.5 ! A.2494 at -4.65e+06
assign (resid 598 and name   HA) (resid 601 and name   HG)  4.0  2.2  1.0 ! A.2515 at -2.13e+06
assign (resid 598 and name   HA) (resid 601 and name   HN)  3.0  1.2  0.7 ! A.2522 at  1.60e+07
assign (resid 598 and name   HA) (resid 602 and name   HN)  3.0  1.2  1.3 ! A.2576 at  7.27e+06

! C599
assign (resid 599 and name  HB1) (resid 599 and name   HN)  3.0  1.2  0.5 ! A.2422 at -9.94e+06
assign (resid 599 and name  HB2) (resid 599 and name   HN)  3.0  1.2  0.5 ! A.2423 at -9.66e+06
assign (resid 599 and name   HA) (resid 600 and name   HN)  4.0  2.2  1.0 ! A.2407 at -4.18e+06
assign (resid 599 and name  HB1) (resid 600 and name   HN)  4.0  2.2  1.0 ! A.2424 at -5.20e+06
assign (resid 599 and name  HB2) (resid 600 and name   HN)  3.0  1.2  0.5 ! A.2425 at -5.96e+06
assign (resid 599 and name   HN) (resid 600 and name   HN)  3.0  1.2  0.5 ! A.2437 at  2.78e+07
assign (resid 599 and name   HN) (resid 600 and name   HA)  4.0  2.2  2.0 ! A.2447 at -1.43e+06
assign (resid 599 and name   HN) (resid 601 and name  HB1)  4.0  2.2  1.0 ! A.2438 at  2.84e+06
assign (resid 599 and name   HN) (resid 601 and name   HN)  4.0  2.2  1.0 ! A.2439 at  4.62e+06
assign (resid 599 and name   HN) (resid 601 and name HD2#)  4.0  2.2  1.5 ! A.2505 at -2.75e+06
assign (resid 599 and name   HA) (resid 602 and name  HB1)  3.0  1.2  0.3 ! A.2408 at -1.70e+07
assign (resid 599 and name   HA) (resid 602 and name  HB2)  3.0  1.2  0.3 ! A.2409 at -2.03e+07
assign (resid 599 and name   HA) (resid 602 and name  HG2)  3.0  1.2  1.0 ! A.2410 at -6.71e+06
assign (resid 599 and name   HA) (resid 602 and name   HN)  3.0  1.2  0.5 ! A.2411 at -1.36e+07
assign (resid 599 and name  HB1) (resid 602 and name  HB2)  4.0  2.2  1.0 ! A.2426 at -2.14e+06
assign (resid 599 and name   HN) (resid 602 and name  HB1)  4.0  2.2  1.6 ! A.2440 at  3.55e+06
assign (resid 599 and name   HN) (resid 602 and name  HB2)  4.0  2.2  1.0 ! A.2441 at  3.96e+06
assign (resid 599 and name   HN) (resid 602 and name   HN)  4.0  2.2  1.0 ! A.2442 at  5.08e+06
assign (resid 599 and name   HA) (resid 603 and name   HG)  3.0  1.2  0.6 ! A.2412 at -5.81e+06
assign (resid 599 and name   HN) (resid 603 and name HD2#)  4.0  2.2  1.7 ! A.2443 at  4.36e+06
assign (resid 599 and name   HN) (resid 603 and name   HG)  4.0  2.2  1.4 ! A.2444 at  3.24e+06
assign (resid 599 and name   HA) (resid 603 and name HD2#)  3.0  1.2  0.8 ! A.2621 at -6.94e+06
assign (resid 599 and name  HB1) (resid 603 and name HD2#)  4.0  2.2  1.5 ! A.2622 at -3.24e+06
assign (resid 599 and name  HB2) (resid 603 and name HD2#)  3.0  1.2  1.8 ! A.2623 at -9.66e+06

! F600
assign (resid 600 and name  HB1) (resid 600 and name   HN)  3.0  1.2  0.5 ! A.2460 at -7.30e+06
assign (resid 600 and name  HB2) (resid 600 and name   HN)  3.0  1.2  0.5 ! A.2461 at -9.72e+06
assign (resid 600 and name   HA) (resid 601 and name  HB1)  4.0  2.2  1.7 ! A.2451 at -2.09e+06
assign (resid 600 and name  HB1) (resid 601 and name  HB1)  4.0  2.2  1.0 ! A.2462 at -3.15e+06
assign (resid 600 and name  HB1) (resid 601 and name   HN)  3.0  1.2  0.5 ! A.2463 at -8.12e+06
assign (resid 600 and name  HB2) (resid 601 and name   HN)  3.0  1.2  0.8 ! A.2464 at -6.77e+06
assign (resid 600 and name   HN) (resid 601 and name  HB1)  3.0  1.2  1.8 ! A.2475 at  1.10e+07
assign (resid 600 and name   HN) (resid 601 and name   HN)  3.0  1.2  0.5 ! A.2476 at  2.96e+07
assign (resid 600 and name   HA) (resid 601 and name   HN)  3.0  1.2  0.5 ! A.2524 at  1.86e+07
assign (resid 600 and name   HN) (resid 602 and name   HN)  3.0  1.2  0.9 ! A.2578 at  6.42e+06
assign (resid 600 and name   HA) (resid 603 and name  HB1)  3.0  1.2  1.3 ! A.2452 at -6.30e+06
assign (resid 600 and name   HA) (resid 603 and name  HB2)  4.0  2.2  1.0 ! A.2453 at -4.47e+06
assign (resid 600 and name   HA) (resid 603 and name HD1#)  3.0  1.2  0.8 ! A.2454 at -6.73e+06
assign (resid 600 and name   HA) (resid 603 and name   HN)  3.0  1.2  0.5 ! A.2455 at -9.05e+06
assign (resid 600 and name   HN) (resid 603 and name HD1#)  4.0  2.2  1.5 ! A.2477 at  4.23e+06
assign (resid 600 and name   HN) (resid 603 and name HD2#)  4.0  2.2  1.5 ! A.2624 at -1.82e+06
assign (resid 600 and name   HN) (resid 603 and name   HN)  4.0  2.2  2.0 ! A.2634 at  1.62e+06
assign (resid 600 and name   HA) (resid 604 and name   HA)  4.0  2.2  1.2 ! A.2456 at -2.49e+06
assign (resid 600 and name   HA) (resid 604 and name  HB2)  4.0  2.2  1.0 ! A.2457 at -3.68e+06
assign (resid 600 and name   HA) (resid 604 and name   HN)  3.0  1.2  0.5 ! A.2652 at  1.47e+07

! L601
assign (resid 601 and name   HA) (resid 601 and name   HG)  3.0  1.2  0.3 ! A.2480 at -3.68e+07
assign (resid 601 and name  HB1) (resid 601 and name   HN)  3.0  1.2  0.5 ! A.2490 at -2.96e+07
assign (resid 601 and name  HB2) (resid 601 and name   HN)  3.0  1.2  0.5 ! A.2491 at -1.89e+07
assign (resid 601 and name HD1#) (resid 601 and name   HA)  2.5  0.7  0.7 ! A.2495 at -5.50e+07
assign (resid 601 and name HD1#) (resid 601 and name  HB1)  2.5  0.7  0.7 ! A.2496 at -8.66e+07
assign (resid 601 and name HD1#) (resid 601 and name  HB2)  3.0  1.2  0.8 ! A.2497 at -2.31e+07
assign (resid 601 and name HD1#) (resid 601 and name   HN)  3.0  1.2  1.0 ! A.2499 at -1.25e+07
assign (resid 601 and name HD2#) (resid 601 and name   HA)  3.0  1.2  0.8 ! A.2506 at -1.35e+07
assign (resid 601 and name HD2#) (resid 601 and name  HB1)  2.5  0.7  0.7 ! A.2507 at -9.59e+07
assign (resid 601 and name HD2#) (resid 601 and name  HB2)  3.0  1.2  0.8 ! A.2508 at -2.53e+07
assign (resid 601 and name HD2#) (resid 601 and name   HN)  3.0  1.2  1.2 ! A.2510 at -1.33e+07
assign (resid 601 and name   HG) (resid 601 and name   HN)  3.0  1.2  1.4 ! A.2518 at -2.11e+07
assign (resid 601 and name   HA) (resid 602 and name   HN)  3.0  1.2  0.5 ! A.2482 at -1.01e+07
assign (resid 601 and name  HB1) (resid 602 and name   HN)  3.0  1.2  0.5 ! A.2492 at -1.46e+07
assign (resid 601 and name  HB2) (resid 602 and name   HN)  3.0  1.2  1.0 ! A.2493 at -5.88e+06
assign (resid 601 and name HD1#) (resid 602 and name   HN)  4.0  2.2  1.5 ! A.2500 at -3.56e+06
assign (resid 601 and name HD2#) (resid 602 and name   HN)  3.0  1.2  1.3 ! A.2511 at -6.58e+06
assign (resid 601 and name   HG) (resid 602 and name   HN)  4.0  2.2  1.0 ! A.2519 at -4.80e+06
assign (resid 601 and name   HN) (resid 602 and name   HN)  2.5  0.7  0.4 ! A.2580 at  8.96e+07
assign (resid 601 and name   HA) (resid 604 and name   HN)  4.0  2.2  1.0 ! A.2653 at  5.21e+06
assign (resid 601 and name   HA) (resid 605 and name  HB1)  3.0  1.2  0.3 ! A.2483 at -2.95e+07
assign (resid 601 and name HD1#) (resid 605 and name  HB1)  3.0  1.2  0.8 ! A.2501 at -1.14e+07
assign (resid 601 and name HD1#) (resid 605 and name  HB2)  3.0  1.2  0.8 ! A.2502 at -7.69e+06
assign (resid 601 and name HD2#) (resid 605 and name  HB1)  4.0  2.2  1.5 ! A.2512 at -4.81e+06
assign (resid 601 and name HD2#) (resid 605 and name  HB2)  4.0  2.2  1.8 ! A.2513 at -3.93e+06
assign (resid 601 and name   HA) (resid 605 and name  HB2)  3.0  1.2  0.3 ! A.2671 at -8.31e+06
assign (resid 601 and name   HA) (resid 605 and name   HN)  3.0  1.2  0.5 ! A.2676 at  1.30e+07
assign (resid 601 and name  HB2) (resid 605 and name   HN)  4.0  2.2  1.8 ! A.2677 at  5.55e+06
assign (resid 601 and name   HG) (resid 605 and name   HN)  4.0  2.2  1.0 ! A.2678 at  3.16e+06

! K602
assign (resid 602 and name   HA) (resid 602 and name  HE1)  4.0  2.2  1.0 ! A.2534 at -2.46e+06
assign (resid 602 and name   HA) (resid 602 and name  HG2)  3.0  1.2  0.6 ! A.2535 at -1.90e+07
assign (resid 602 and name  HB1) (resid 602 and name  HE1)  4.0  2.2  1.0 ! A.2541 at -1.81e+06
assign (resid 602 and name  HB1) (resid 602 and name   HN)  3.0  1.2  0.5 ! A.2544 at -3.08e+07
assign (resid 602 and name  HB2) (resid 602 and name  HE1)  4.0  2.2  2.0 ! A.2542 at -1.78e+06
assign (resid 602 and name  HB2) (resid 602 and name   HN)  3.0  1.2  0.5 ! A.2545 at -2.56e+07
assign (resid 602 and name  HD1) (resid 602 and name   HA)  3.0  1.2  0.3 ! A.2552 at -1.08e+07
assign (resid 602 and name  HD1) (resid 602 and name   HN)  3.0  1.2  0.8 ! A.2555 at -5.80e+06
assign (resid 602 and name  HE1) (resid 602 and name  HG2)  3.0  1.2  0.3 ! A.2559 at -1.04e+07
assign (resid 602 and name  HE1) (resid 602 and name   HN)  4.0  2.2  1.0 ! A.2560 at -2.41e+06
assign (resid 602 and name  HE2) (resid 602 and name   HN)  4.0  2.2  1.0 ! A.2561 at -3.63e+06
assign (resid 602 and name  HG1) (resid 602 and name   HA)  3.0  1.2  0.3 ! A.2564 at -1.25e+07
assign (resid 602 and name  HG1) (resid 602 and name  HE1)  4.0  2.2  1.0 ! A.2568 at -5.37e+06
assign (resid 602 and name  HG1) (resid 602 and name   HN)  3.0  1.2  1.4 ! A.2570 at -9.29e+06
assign (resid 602 and name  HG2) (resid 602 and name  HE2)  3.0  1.2  0.3 ! A.2569 at -6.22e+06
assign (resid 602 and name  HG2) (resid 602 and name   HN)  3.0  1.2  1.7 ! A.2571 at -8.61e+06
assign (resid 602 and name   HA) (resid 603 and name HD2#)  4.0  2.2  1.5 ! A.2537 at -2.69e+06
assign (resid 602 and name   HA) (resid 603 and name   HN)  3.0  1.2  0.5 ! A.2538 at -1.34e+07
assign (resid 602 and name  HB1) (resid 603 and name HD2#)  4.0  2.2  1.5 ! A.2546 at -5.66e+06
assign (resid 602 and name  HB1) (resid 603 and name   HG)  3.0  1.2  0.3 ! A.2548 at -6.25e+06
assign (resid 602 and name  HB1) (resid 603 and name   HN)  3.0  1.2  0.5 ! A.2550 at -8.02e+06
assign (resid 602 and name  HB2) (resid 603 and name HD2#)  4.0  2.2  1.5 ! A.2547 at -5.55e+06
assign (resid 602 and name  HB2) (resid 603 and name   HG)  3.0  1.2  1.1 ! A.2549 at -7.07e+06
assign (resid 602 and name  HB2) (resid 603 and name   HN)  3.0  1.2  0.5 ! A.2551 at -1.13e+07
assign (resid 602 and name  HD1) (resid 603 and name HD2#)  4.0  2.2  1.5 ! A.2556 at -5.07e+06
assign (resid 602 and name  HE1) (resid 603 and name HD2#)  4.0  2.2  1.5 ! A.2562 at -4.87e+06
assign (resid 602 and name  HE2) (resid 603 and name HD2#)  4.0  2.2  1.5 ! A.2563 at -4.46e+06
assign (resid 602 and name  HG1) (resid 603 and name HD2#)  3.0  1.2  0.8 ! A.2572 at -6.55e+06
assign (resid 602 and name  HG1) (resid 603 and name   HN)  4.0  2.2  1.0 ! A.2574 at -2.75e+06
assign (resid 602 and name  HG2) (resid 603 and name HD2#)  3.0  1.2  0.8 ! A.2573 at -7.13e+06
assign (resid 602 and name  HG2) (resid 603 and name   HN)  4.0  2.2  1.0 ! A.2575 at -3.00e+06
assign (resid 602 and name   HN) (resid 603 and name  HB1)  4.0  2.2  2.0 ! A.2586 at  4.96e+06
assign (resid 602 and name   HN) (resid 603 and name  HB2)  4.0  2.2  1.0 ! A.2587 at  3.75e+06
assign (resid 602 and name   HN) (resid 603 and name HD1#)  4.0  2.2  1.1 ! A.2588 at  7.84e+06
assign (resid 602 and name   HN) (resid 603 and name HD2#)  3.0  1.2  1.2 ! A.2589 at  7.84e+06
assign (resid 602 and name   HN) (resid 603 and name   HG)  3.0  1.2  0.7 ! A.2590 at  2.70e+07
assign (resid 602 and name   HN) (resid 603 and name   HN)  2.5  0.7  0.4 ! A.2591 at  8.96e+07
assign (resid 602 and name  HB1) (resid 603 and name   HA)  4.0  2.2  1.0 ! A.2592 at -2.00e+06
assign (resid 602 and name  HB2) (resid 603 and name   HA)  4.0  2.2  1.4 ! A.2593 at -3.25e+06
assign (resid 602 and name  HG1) (resid 603 and name   HA)  4.0  2.2  1.0 ! A.2594 at -2.17e+06
assign (resid 602 and name   HA) (resid 605 and name   HN)  4.0  2.2  1.0 ! A.2679 at  5.68e+06

! L603
assign (resid 603 and name   HA) (resid 603 and name   HG)  3.0  1.2  0.5 ! A.2597 at -2.36e+07
assign (resid 603 and name  HB1) (resid 603 and name   HN)  3.0  1.2  0.5 ! A.2609 at -1.18e+07
assign (resid 603 and name  HB2) (resid 603 and name   HN)  3.0  1.2  0.5 ! A.2610 at -1.06e+07
assign (resid 603 and name HD1#) (resid 603 and name   HA)  3.0  1.2  0.8 ! A.2614 at -3.95e+07
assign (resid 603 and name HD1#) (resid 603 and name  HB2)  3.0  1.2  0.8 ! A.2615 at -2.76e+07
assign (resid 603 and name HD1#) (resid 603 and name   HN)  3.0  1.2  1.0 ! A.2617 at -1.19e+07
assign (resid 603 and name HD2#) (resid 603 and name   HA)  4.0  2.2  1.5 ! A.2625 at -4.84e+06
assign (resid 603 and name HD2#) (resid 603 and name  HB2)  3.0  1.2  0.8 ! A.2626 at -2.03e+07
assign (resid 603 and name HD2#) (resid 603 and name   HN)  3.0  1.2  1.0 ! A.2628 at -5.97e+06
assign (resid 603 and name   HG) (resid 603 and name   HN)  3.0  1.2  0.5 ! A.2632 at -1.40e+07
assign (resid 603 and name   HA) (resid 604 and name   HN)  3.0  1.2  0.5 ! A.2599 at -8.15e+06
assign (resid 603 and name  HB1) (resid 604 and name   HN)  3.0  1.2  0.8 ! A.2655 at  3.27e+07
assign (resid 603 and name  HB2) (resid 604 and name   HN)  3.0  1.2  0.5 ! A.2656 at  9.30e+06
assign (resid 603 and name   HG) (resid 604 and name   HN)  3.0  1.2  0.5 ! A.2659 at  1.11e+07
assign (resid 603 and name   HN) (resid 604 and name   HA)  4.0  2.2  1.3 ! A.2641 at  2.81e+06
assign (resid 603 and name   HN) (resid 604 and name  HB2)  4.0  2.2  2.0 ! A.2644 at -1.74e+06
assign (resid 603 and name HD1#) (resid 604 and name   HN)  3.0  1.2  1.2 ! A.2657 at  1.46e+07
assign (resid 603 and name HD2#) (resid 604 and name   HN)  3.0  1.2  1.3 ! A.2658 at  1.46e+07
assign (resid 603 and name   HN) (resid 604 and name   HN)  2.5  0.7  0.4 ! A.2660 at  6.77e+07
assign (resid 603 and name   HA) (resid 605 and name   HN)  3.0  1.2  1.1 ! A.2680 at  5.73e+06
assign (resid 603 and name   HN) (resid 605 and name   HN)  3.0  1.2  0.5 ! A.2642 at  7.64e+06
assign (resid 603 and name  HB1) (resid 605 and name   HN)  4.0  2.2  1.5 ! A.2681 at  6.82e+06
assign (resid 603 and name  HB2) (resid 605 and name   HN)  4.0  2.2  1.0 ! A.2682 at  2.37e+06
assign (resid 603 and name   HG) (resid 605 and name   HN)  4.0  2.2  1.1 ! A.2683 at  1.17e+07

! F604
assign (resid 604 and name  HB1) (resid 604 and name   HN)  3.0  1.2  0.5 ! A.2649 at -7.34e+06
assign (resid 604 and name  HB2) (resid 604 and name   HN)  3.0  1.2  0.5 ! A.2650 at -8.12e+06
assign (resid 604 and name  HB2) (resid 605 and name   HN)  3.0  1.2  0.9 ! A.2686 at  1.72e+07
assign (resid 604 and name   HN) (resid 605 and name   HA)  4.0  2.2  1.2 ! A.2664 at  4.16e+06
assign (resid 604 and name   HN) (resid 605 and name  HB1)  4.0  2.2  1.3 ! A.2665 at  4.20e+06
assign (resid 604 and name   HN) (resid 605 and name   HN)  2.5  0.7  0.4 ! A.2666 at  8.49e+07
assign (resid 604 and name   HA) (resid 605 and name   HN)  3.0  1.2  0.5 ! A.2685 at  2.61e+07

! C605
assign (resid 605 and name  HB1) (resid 605 and name   HN)  3.0  1.2  0.5 ! A.2674 at -1.01e+07
assign (resid 605 and name  HB2) (resid 605 and name   HN)  3.0  1.2  0.5 ! A.2675 at -1.20e+07

!@ END_XPLR_NOE_FILE
# Restraints file 2: D_1000242640_mr_P2.xplor-nih.V2
!@ BEGIN_XPLR_NOE_FILE
! G534

! A535
assign (resid 535 and name   HA) (resid 536 and name   HN)  3.0  1.2  0.5 ! A.10   at  1.57e+07
assign (resid 535 and name  HB#) (resid 536 and name   HN)  4.0  2.2  1.5 ! A.11   at  2.94e+06

! M536
assign (resid 536 and name   HA) (resid 536 and name  HG2)  3.0  1.2  0.3 ! A.2    at -1.27e+07
assign (resid 536 and name  HG1) (resid 536 and name   HA)  4.0  2.2  1.0 ! A.6    at -2.45e+06
assign (resid 536 and name   HN) (resid 536 and name  HB2)  3.0  1.2  0.5 ! A.13   at  7.38e+06
assign (resid 536 and name   HN) (resid 536 and name  HG1)  4.0  2.2  1.0 ! A.14   at  2.18e+06
assign (resid 536 and name   HN) (resid 536 and name  HG2)  4.0  2.2  1.0 ! A.15   at  2.18e+06
assign (resid 536 and name   HA) (resid 537 and name   HN)  2.5  0.7  0.9 ! A.31   at  7.43e+07
assign (resid 536 and name   HN) (resid 537 and name   HA)  3.0  1.2  1.3 ! A.16   at  1.02e+08
assign (resid 536 and name  HB1) (resid 537 and name   HN)  3.0  1.2  0.5 ! A.32   at  9.86e+06
assign (resid 536 and name  HB2) (resid 537 and name   HN)  3.0  1.2  0.5 ! A.33   at  6.50e+06
assign (resid 536 and name   HN) (resid 538 and name  HD1)  4.0  2.2  1.7 ! A.17   at  2.30e+06
assign (resid 536 and name   HN) (resid 540 and name   HA)  4.0  2.2  1.0 ! A.18   at  4.68e+06

! D537
assign (resid 537 and name  HB1) (resid 537 and name   HN)  3.0  1.2  0.5 ! A.23   at -8.25e+06
assign (resid 537 and name  HB2) (resid 537 and name   HN)  3.0  1.2  0.5 ! A.24   at -1.01e+07
assign (resid 537 and name  HB1) (resid 538 and name  HD1)  3.0  1.2  0.3 ! A.52   at -6.73e+06
assign (resid 537 and name  HB1) (resid 538 and name  HD2)  3.0  1.2  0.3 ! A.53   at -1.66e+07
assign (resid 537 and name  HB2) (resid 538 and name  HD1)  4.0  2.2  1.0 ! A.54   at -4.50e+06
assign (resid 537 and name  HB2) (resid 538 and name  HD2)  3.0  1.2  0.3 ! A.55   at -5.93e+06
assign (resid 537 and name   HN) (resid 538 and name  HD1)  4.0  2.2  1.0 ! A.37   at  3.40e+06
assign (resid 537 and name   HN) (resid 538 and name  HD2)  4.0  2.2  1.0 ! A.38   at  3.45e+06
assign (resid 537 and name   HA) (resid 538 and name  HD1)  2.5  0.7  0.2 ! A.50   at -5.53e+07
assign (resid 537 and name   HA) (resid 538 and name  HD2)  2.5  0.7  0.2 ! A.51   at -6.63e+07
assign (resid 537 and name  HB1) (resid 539 and name   HN)  4.0  2.2  1.0 ! A.84   at  5.39e+06
assign (resid 537 and name  HB2) (resid 539 and name   HN)  4.0  2.2  1.0 ! A.30   at -2.09e+06
assign (resid 537 and name   HA) (resid 539 and name   HN)  2.5  0.7  1.1 ! A.83   at  5.81e+07
assign (resid 537 and name   HN) (resid 540 and name  HB2)  4.0  2.2  1.0 ! A.39   at  1.91e+06
assign (resid 537 and name  HB1) (resid 540 and name   HN)  4.0  2.2  1.0 ! A.105  at  2.83e+06

! P538
assign (resid 538 and name   HA) (resid 538 and name  HG1)  3.0  1.2  0.8 ! A.41   at -2.36e+07
assign (resid 538 and name   HA) (resid 538 and name  HG2)  3.0  1.2  1.0 ! A.42   at -2.74e+07
assign (resid 538 and name  HB1) (resid 538 and name  HD1)  3.0  1.2  0.3 ! A.47   at -8.36e+06
assign (resid 538 and name   HA) (resid 539 and name   HN)  2.5  0.7  0.9 ! A.43   at -5.79e+07
assign (resid 538 and name  HB1) (resid 539 and name   HN)  4.0  2.2  1.0 ! A.49   at -3.53e+06
assign (resid 538 and name  HD2) (resid 539 and name   HN)  3.0  1.2  0.5 ! A.88   at  1.15e+07
assign (resid 538 and name  HD1) (resid 539 and name   HN)  4.0  2.2  2.0 ! A.87   at  1.32e+06
assign (resid 538 and name   HA) (resid 540 and name  HB2)  4.0  2.2  1.0 ! A.44   at -4.39e+06
assign (resid 538 and name   HA) (resid 540 and name   HN)  4.0  2.2  1.0 ! A.45   at -4.88e+06

! E539
assign (resid 539 and name  HB2) (resid 539 and name   HN)  3.0  1.2  0.5 ! A.75   at -2.49e+07
assign (resid 539 and name  HG1) (resid 539 and name   HA)  3.0  1.2  0.8 ! A.77   at -1.05e+07
assign (resid 539 and name  HG1) (resid 539 and name   HN)  3.0  1.2  0.5 ! A.81   at -6.43e+06
assign (resid 539 and name  HG2) (resid 539 and name   HA)  3.0  1.2  0.3 ! A.78   at -1.24e+07
assign (resid 539 and name  HG2) (resid 539 and name   HN)  4.0  2.2  1.0 ! A.82   at -4.56e+06
assign (resid 539 and name   HN) (resid 539 and name  HB1)  3.0  1.2  0.5 ! A.90   at  1.43e+07
assign (resid 539 and name   HA) (resid 540 and name  HB1)  3.0  1.2  1.3 ! A.69   at -8.63e+06
assign (resid 539 and name   HA) (resid 540 and name  HB2)  3.0  1.2  1.7 ! A.70   at -8.63e+06
assign (resid 539 and name   HA) (resid 540 and name   HN)  2.5  0.7  1.0 ! A.71   at -5.07e+07
assign (resid 539 and name  HB2) (resid 540 and name   HN)  2.5  0.7  0.4 ! A.109  at  4.31e+07
assign (resid 539 and name   HN) (resid 540 and name  HB1)  4.0  2.2  1.0 ! A.94   at  2.36e+06
assign (resid 539 and name   HN) (resid 540 and name  HB2)  4.0  2.2  1.0 ! A.95   at  2.36e+06
assign (resid 539 and name   HN) (resid 540 and name   HN)  3.0  1.2  0.5 ! A.96   at  3.25e+07
assign (resid 539 and name  HB1) (resid 540 and name   HA)  4.0  2.2  1.0 ! A.97   at -4.08e+06
assign (resid 539 and name  HB2) (resid 540 and name   HA)  4.0  2.2  1.0 ! A.98   at -4.07e+06
assign (resid 539 and name  HB1) (resid 540 and name   HN)  3.0  1.2  0.5 ! A.108  at  6.47e+06
assign (resid 539 and name  HG1) (resid 540 and name   HN)  4.0  2.2  1.0 ! A.110  at  3.39e+06
assign (resid 539 and name  HG2) (resid 540 and name   HN)  3.0  1.2  0.5 ! A.111  at  6.47e+06
assign (resid 539 and name   HA) (resid 541 and name   HN)  4.0  2.2  1.0 ! A.120  at  2.75e+06
assign (resid 539 and name  HB2) (resid 541 and name   HN)  4.0  2.2  1.0 ! A.121  at  2.62e+06

! F540
assign (resid 540 and name  HB1) (resid 540 and name   HN)  3.0  1.2  0.5 ! A.103  at -2.29e+07
assign (resid 540 and name  HB2) (resid 540 and name   HN)  3.0  1.2  0.5 ! A.104  at -2.12e+07
assign (resid 540 and name   HA) (resid 541 and name   HN)  2.5  0.7  1.0 ! A.122  at  5.47e+07

! Y541
assign (resid 541 and name  HB1) (resid 541 and name   HN)  3.0  1.2  0.5 ! A.118  at -9.72e+06
assign (resid 541 and name  HB2) (resid 541 and name   HN)  3.0  1.2  0.5 ! A.119  at -6.53e+06
assign (resid 541 and name   HA) (resid 542 and name   HN)  3.0  1.2  0.5 ! A.132  at  1.10e+07
assign (resid 541 and name  HB1) (resid 542 and name   HN)  4.0  2.2  1.0 ! A.133  at  2.75e+06

! H542
assign (resid 542 and name  HB2) (resid 542 and name   HN)  4.0  2.2  1.0 ! A.130  at -1.83e+06
assign (resid 542 and name   HN) (resid 542 and name  HB1)  3.0  1.2  0.5 ! A.135  at  6.77e+06
assign (resid 542 and name   HA) (resid 543 and name   HN)  2.5  0.7  0.9 ! A.147  at  4.32e+07
assign (resid 542 and name  HB1) (resid 543 and name   HN)  3.0  1.2  0.5 ! A.148  at  7.90e+06
assign (resid 542 and name  HB2) (resid 543 and name   HN)  3.0  1.2  0.5 ! A.149  at  8.36e+06

! E543
assign (resid 543 and name   HA) (resid 543 and name  HG1)  3.0  1.2  0.3 ! A.138  at -2.55e+07
assign (resid 543 and name  HB1) (resid 543 and name   HN)  4.0  2.2  1.0 ! A.143  at -5.65e+06
assign (resid 543 and name  HG1) (resid 543 and name   HN)  3.0  1.2  0.5 ! A.146  at -1.52e+07
assign (resid 543 and name   HA) (resid 544 and name   HN)  3.0  1.2  0.5 ! A.140  at -1.41e+07
assign (resid 543 and name  HG1) (resid 544 and name   HN)  4.0  2.2  1.0 ! A.167  at  2.18e+06

! R544
assign (resid 544 and name   HA) (resid 544 and name  HD1)  3.0  1.2  0.3 ! A.154  at -2.35e+07
assign (resid 544 and name   HA) (resid 544 and name  HG1)  2.5  0.7  0.9 ! A.155  at -7.70e+07
assign (resid 544 and name  HB1) (resid 544 and name  HD1)  3.0  1.2  0.3 ! A.159  at -9.70e+06
assign (resid 544 and name   HN) (resid 544 and name  HB1)  4.0  2.2  1.0 ! A.169  at  4.71e+06
assign (resid 544 and name   HN) (resid 544 and name  HB2)  3.0  1.2  0.5 ! A.170  at  9.22e+06
assign (resid 544 and name   HN) (resid 544 and name  HG1)  4.0  2.2  1.0 ! A.171  at  5.19e+06

! R545
assign (resid 545 and name   HA) (resid 545 and name  HD1)  3.0  1.2  0.7 ! A.174  at -2.35e+07
assign (resid 545 and name   HA) (resid 545 and name  HG1)  2.5  0.7  0.9 ! A.175  at -6.66e+07
assign (resid 545 and name  HB1) (resid 545 and name  HD1)  3.0  1.2  0.3 ! A.180  at -9.70e+06
assign (resid 545 and name  HB1) (resid 545 and name   HN)  4.0  2.2  1.0 ! A.184  at -2.71e+06
assign (resid 545 and name  HB2) (resid 545 and name  HD1)  3.0  1.2  0.3 ! A.181  at -3.24e+07
assign (resid 545 and name  HB2) (resid 545 and name   HN)  4.0  2.2  1.0 ! A.185  at -3.92e+06
assign (resid 545 and name   HN) (resid 545 and name  HD1)  4.0  2.2  1.0 ! A.193  at  2.98e+06
assign (resid 545 and name   HN) (resid 545 and name  HG1)  3.0  1.2  0.5 ! A.194  at  1.45e+07
assign (resid 545 and name   HA) (resid 546 and name   HN)  3.0  1.2  0.5 ! A.177  at -1.15e+07
assign (resid 545 and name   HN) (resid 546 and name  HA1)  4.0  2.2  1.0 ! A.195  at  2.47e+06
assign (resid 545 and name  HB1) (resid 546 and name  HA1)  4.0  2.2  1.0 ! A.196  at -3.10e+06
assign (resid 545 and name  HB2) (resid 546 and name  HA1)  3.0  1.2  1.3 ! A.197  at -7.63e+06
assign (resid 545 and name  HG1) (resid 546 and name  HA1)  4.0  2.2  2.2 ! A.198  at -4.06e+06
assign (resid 545 and name  HB1) (resid 546 and name   HN)  4.0  2.2  1.0 ! A.205  at  2.40e+06
assign (resid 545 and name  HB2) (resid 546 and name   HN)  4.0  2.2  1.0 ! A.206  at  2.02e+06
assign (resid 545 and name  HG1) (resid 546 and name   HN)  4.0  2.2  1.0 ! A.207  at  2.48e+06

! G546
assign (resid 546 and name  HA1) (resid 547 and name   HN)  3.0  1.2  0.5 ! A.200  at -1.19e+07
assign (resid 546 and name   HN) (resid 547 and name  HB2)  4.0  2.2  2.0 ! A.209  at  9.20e+05
assign (resid 546 and name  HA1) (resid 548 and name HD1#)  4.0  2.2  1.5 ! A.201  at -2.14e+06
assign (resid 546 and name  HA1) (resid 555 and name  HB1)  3.0  1.2  0.3 ! A.202  at -7.17e+06
assign (resid 546 and name   HN) (resid 555 and name  HB1)  4.0  2.2  1.0 ! A.210  at  2.53e+06
assign (resid 546 and name  HA1) (resid 556 and name   HB)  4.0  2.2  1.4 ! A.203  at -2.09e+06
assign (resid 546 and name  HA1) (resid 556 and name   HN)  4.0  2.2  1.0 ! A.675  at  3.50e+06

! S547
assign (resid 547 and name  HB1) (resid 547 and name   HN)  3.0  1.2  0.9 ! A.220  at -1.54e+07
assign (resid 547 and name  HB2) (resid 547 and name   HN)  3.0  1.2  0.5 ! A.221  at -1.22e+07
assign (resid 547 and name   HA) (resid 548 and name  HB2)  4.0  2.2  1.0 ! A.214  at -5.23e+06
assign (resid 547 and name   HA) (resid 548 and name HD1#)  4.0  2.2  1.5 ! A.215  at -5.42e+06
assign (resid 547 and name   HA) (resid 548 and name HD2#)  4.0  2.2  1.5 ! A.216  at -2.05e+06
assign (resid 547 and name   HN) (resid 548 and name HD1#)  4.0  2.2  2.5 ! A.238  at  1.11e+06
assign (resid 547 and name   HA) (resid 548 and name   HN)  2.5  0.7  0.4 ! A.287  at  1.20e+08
assign (resid 547 and name  HB1) (resid 548 and name   HN)  3.0  1.2  0.5 ! A.288  at  1.99e+07
assign (resid 547 and name  HB2) (resid 548 and name   HN)  3.0  1.2  1.6 ! A.289  at  1.85e+07
assign (resid 547 and name  HB1) (resid 555 and name  HB1)  4.0  2.2  2.1 ! A.222  at -2.90e+06
assign (resid 547 and name  HB2) (resid 555 and name  HB1)  4.0  2.2  1.4 ! A.223  at -2.91e+06
assign (resid 547 and name   HN) (resid 555 and name  HB1)  4.0  2.2  1.0 ! A.239  at  3.84e+06
assign (resid 547 and name   HN) (resid 555 and name  HG1)  4.0  2.2  2.0 ! A.240  at  1.32e+06
assign (resid 547 and name  HB1) (resid 556 and name   HB)  3.0  1.2  0.3 ! A.224  at -1.82e+07
assign (resid 547 and name  HB1) (resid 556 and name HD1#)  3.0  1.2  0.8 ! A.226  at -7.84e+06
assign (resid 547 and name  HB1) (resid 556 and name HG2#)  4.0  2.2  1.5 ! A.228  at -2.74e+06
assign (resid 547 and name  HB2) (resid 556 and name   HB)  3.0  1.2  0.3 ! A.225  at -1.45e+07
assign (resid 547 and name  HB2) (resid 556 and name HD1#)  3.0  1.2  0.8 ! A.227  at -6.77e+06
assign (resid 547 and name  HB2) (resid 556 and name HG2#)  4.0  2.2  1.5 ! A.229  at -2.67e+06
assign (resid 547 and name   HN) (resid 556 and name   HB)  4.0  2.2  1.0 ! A.241  at  2.89e+06
assign (resid 547 and name  HB1) (resid 556 and name   HN)  4.0  2.2  1.0 ! A.676  at  4.04e+06
assign (resid 547 and name  HB2) (resid 556 and name   HN)  4.0  2.2  1.0 ! A.677  at  3.88e+06
assign (resid 547 and name   HA) (resid 567 and name  HE1)  4.0  2.2  1.0 ! A.217  at -4.47e+06
assign (resid 547 and name  HB1) (resid 567 and name  HE1)  4.0  2.2  1.0 ! A.230  at -3.57e+06
assign (resid 547 and name  HB1) (resid 567 and name  HG1)  4.0  2.2  1.0 ! A.232  at -4.51e+06
assign (resid 547 and name  HB2) (resid 567 and name  HE1)  4.0  2.2  1.0 ! A.231  at -2.07e+06
assign (resid 547 and name  HB2) (resid 567 and name  HG1)  4.0  2.2  1.0 ! A.233  at -2.27e+06
assign (resid 547 and name  HB1) (resid 567 and name  HD1)  4.0  2.2  1.0 ! A.1035 at -3.85e+06

! L548
assign (resid 548 and name   HA) (resid 548 and name HD1#)  3.0  1.2  0.8 ! A.243  at -2.96e+07
assign (resid 548 and name   HA) (resid 548 and name HD2#)  3.0  1.2  0.8 ! A.244  at -7.21e+06
assign (resid 548 and name   HA) (resid 548 and name   HG)  3.0  1.2  0.3 ! A.245  at -1.84e+07
assign (resid 548 and name  HB1) (resid 548 and name HD1#)  3.0  1.2  0.8 ! A.252  at -1.26e+07
assign (resid 548 and name  HB1) (resid 548 and name HD2#)  3.0  1.2  0.8 ! A.254  at -2.25e+07
assign (resid 548 and name  HB1) (resid 548 and name   HN)  3.0  1.2  0.5 ! A.257  at -1.28e+07
assign (resid 548 and name  HB2) (resid 548 and name HD1#)  3.0  1.2  0.8 ! A.253  at -1.66e+07
assign (resid 548 and name  HB2) (resid 548 and name HD2#)  3.0  1.2  0.8 ! A.255  at -1.55e+07
assign (resid 548 and name  HB2) (resid 548 and name   HN)  3.0  1.2  0.5 ! A.258  at -9.11e+06
assign (resid 548 and name HD1#) (resid 548 and name   HN)  3.0  1.2  1.0 ! A.265  at -2.02e+07
assign (resid 548 and name HD2#) (resid 548 and name   HN)  3.0  1.2  1.0 ! A.275  at -7.48e+06
assign (resid 548 and name   HG) (resid 548 and name   HN)  3.0  1.2  1.0 ! A.285  at -1.47e+07
assign (resid 548 and name   HA) (resid 549 and name   HN)  2.5  0.7  0.4 ! A.331  at  9.30e+07
assign (resid 548 and name  HB1) (resid 549 and name   HN)  3.0  1.2  0.5 ! A.332  at  1.86e+07
assign (resid 548 and name  HB2) (resid 549 and name   HN)  3.0  1.2  1.0 ! A.260  at -7.05e+06
assign (resid 548 and name HD1#) (resid 549 and name   HN)  3.0  1.2  1.0 ! A.266  at -1.34e+07
assign (resid 548 and name HD2#) (resid 549 and name   HN)  4.0  2.2  1.5 ! A.276  at -4.29e+06
assign (resid 548 and name   HA) (resid 549 and name  HB1)  4.0  2.2  1.0 ! A.305  at -4.18e+06
assign (resid 548 and name   HA) (resid 549 and name  HB2)  4.0  2.2  1.0 ! A.306  at -4.19e+06
assign (resid 548 and name  HB1) (resid 550 and name   HA)  4.0  2.2  1.0 ! A.348  at -5.56e+06
assign (resid 548 and name  HB2) (resid 550 and name   HA)  4.0  2.2  1.0 ! A.349  at -3.39e+06
assign (resid 548 and name  HB1) (resid 551 and name   HN)  4.0  2.2  1.0 ! A.402  at  2.73e+06
assign (resid 548 and name HD1#) (resid 552 and name   HN)  4.0  2.2  2.9 ! A.431  at  1.54e+06
assign (resid 548 and name  HB1) (resid 553 and name   HA)  3.0  1.2  0.3 ! A.261  at -6.27e+06
assign (resid 548 and name  HB2) (resid 553 and name   HA)  3.0  1.2  0.7 ! A.262  at -8.92e+06
assign (resid 548 and name HD1#) (resid 553 and name   HA)  3.0  1.2  1.5 ! A.445  at -6.28e+06
assign (resid 548 and name HD2#) (resid 553 and name   HA)  3.0  1.2  0.8 ! A.277  at -9.54e+06
assign (resid 548 and name HD2#) (resid 553 and name  HB1)  3.0  1.2  0.8 ! A.278  at -1.35e+07
assign (resid 548 and name HD2#) (resid 553 and name  HG1)  3.0  1.2  0.8 ! A.279  at -8.22e+06
assign (resid 548 and name   HG) (resid 553 and name   HA)  4.0  2.2  2.0 ! A.286  at -1.68e+06
assign (resid 548 and name HD1#) (resid 553 and name  HB1)  4.0  2.2  2.5 ! A.452  at -1.23e+06
assign (resid 548 and name HD2#) (resid 553 and name  HG2)  4.0  2.2  1.5 ! A.458  at -4.40e+06
assign (resid 548 and name  HB1) (resid 553 and name HE21)  4.0  2.2  1.0 ! A.483  at  1.85e+06
assign (resid 548 and name HD2#) (resid 553 and name HE21)  4.0  2.2  1.5 ! A.486  at  2.13e+06
assign (resid 548 and name  HB1) (resid 553 and name HE22)  4.0  2.2  1.0 ! A.484  at  2.27e+06
assign (resid 548 and name HD1#) (resid 553 and name HE22)  4.0  2.2  2.5 ! A.485  at  9.98e+05
assign (resid 548 and name HD2#) (resid 553 and name HE22)  4.0  2.2  2.5 ! A.487  at  1.37e+06
assign (resid 548 and name  HB1) (resid 553 and name   HN)  3.0  1.2  0.5 ! A.467  at  6.96e+06
assign (resid 548 and name  HB2) (resid 553 and name   HN)  4.0  2.2  1.0 ! A.468  at  4.66e+06
assign (resid 548 and name HD1#) (resid 553 and name   HN)  4.0  2.2  1.5 ! A.469  at  3.32e+06
assign (resid 548 and name HD2#) (resid 553 and name   HN)  4.0  2.2  1.5 ! A.470  at  1.88e+06
assign (resid 548 and name HD1#) (resid 554 and name   HA)  3.0  1.2  0.8 ! A.268  at -1.46e+07
assign (resid 548 and name HD2#) (resid 554 and name   HA)  4.0  2.2  1.5 ! A.280  at -4.99e+06
assign (resid 548 and name   HA) (resid 554 and name   HN)  4.0  2.2  1.0 ! A.539  at  2.66e+06
assign (resid 548 and name  HB2) (resid 554 and name   HN)  3.0  1.2  1.5 ! A.540  at  6.23e+06
assign (resid 548 and name HD1#) (resid 554 and name   HN)  3.0  1.2  1.0 ! A.541  at  6.89e+06
assign (resid 548 and name HD2#) (resid 554 and name   HN)  4.0  2.2  1.5 ! A.542  at  4.58e+06
assign (resid 548 and name HD1#) (resid 555 and name  HD1)  3.0  1.2  0.8 ! A.269  at -9.72e+06
assign (resid 548 and name HD1#) (resid 555 and name  HD2)  3.0  1.2  0.8 ! A.270  at -1.18e+07
assign (resid 548 and name HD1#) (resid 555 and name  HG1)  3.0  1.2  0.8 ! A.271  at -1.60e+07
assign (resid 548 and name HD1#) (resid 555 and name  HG2)  3.0  1.2  0.8 ! A.272  at -9.89e+06
assign (resid 548 and name   HA) (resid 555 and name   HA)  3.0  1.2  0.3 ! A.561  at -3.76e+07
assign (resid 548 and name HD1#) (resid 555 and name   HA)  3.0  1.2  0.8 ! A.562  at -2.98e+07
assign (resid 548 and name   HG) (resid 555 and name   HA)  3.0  1.2  0.7 ! A.563  at -7.94e+06
assign (resid 548 and name HD1#) (resid 555 and name  HB1)  3.0  1.2  0.8 ! A.573  at -6.98e+06
assign (resid 548 and name HD1#) (resid 555 and name  HB2)  4.0  2.2  1.5 ! A.574  at -4.20e+06
assign (resid 548 and name   HA) (resid 556 and name HD1#)  4.0  2.2  1.5 ! A.248  at -2.04e+06
assign (resid 548 and name   HA) (resid 556 and name HG12)  4.0  2.2  1.0 ! A.249  at -2.48e+06
assign (resid 548 and name   HA) (resid 556 and name   HN)  3.0  1.2  0.5 ! A.678  at  2.38e+07

! C549
assign (resid 549 and name  HB1) (resid 549 and name   HN)  3.0  1.2  0.5 ! A.311  at -1.71e+07
assign (resid 549 and name  HB2) (resid 549 and name   HN)  3.0  1.2  0.5 ! A.312  at -1.53e+07
assign (resid 549 and name   HA) (resid 550 and name  HB2)  3.0  1.2  1.4 ! A.298  at -8.25e+06
assign (resid 549 and name   HA) (resid 550 and name   HN)  2.5  0.7  0.4 ! A.374  at  1.09e+08
assign (resid 549 and name  HB1) (resid 550 and name   HN)  4.0  2.2  2.0 ! A.313  at -1.62e+06
assign (resid 549 and name  HB2) (resid 550 and name   HN)  3.0  1.2  1.1 ! A.375  at  1.24e+07
assign (resid 549 and name   HN) (resid 550 and name   HN)  3.0  1.2  1.2 ! A.376  at  6.50e+06
assign (resid 549 and name   HN) (resid 550 and name   HA)  4.0  2.2  1.0 ! A.350  at -1.92e+06
assign (resid 549 and name  HB1) (resid 551 and name   HN)  4.0  2.2  2.0 ! A.315  at -1.67e+06
assign (resid 549 and name  HB2) (resid 551 and name   HN)  4.0  2.2  2.2 ! A.316  at -2.17e+06
assign (resid 549 and name  HB1) (resid 552 and name   HN)  3.0  1.2  0.5 ! A.432  at  1.76e+07
assign (resid 549 and name  HB1) (resid 553 and name   HA)  4.0  2.2  2.0 ! A.318  at -1.57e+06
assign (resid 549 and name  HB1) (resid 553 and name   HN)  3.0  1.2  0.5 ! A.471  at  1.42e+07
assign (resid 549 and name   HN) (resid 553 and name   HA)  4.0  2.2  1.0 ! A.340  at  2.77e+06
assign (resid 549 and name   HN) (resid 553 and name   HN)  4.0  2.2  2.0 ! A.341  at  1.67e+06
assign (resid 549 and name   HN) (resid 554 and name   HA)  4.0  2.2  1.0 ! A.342  at  2.06e+06
assign (resid 549 and name  HB1) (resid 554 and name   HN)  3.0  1.2  0.5 ! A.543  at  2.42e+07
assign (resid 549 and name   HN) (resid 555 and name   HA)  4.0  2.2  1.0 ! A.564  at -4.77e+06
assign (resid 549 and name   HA) (resid 556 and name HD1#)  3.0  1.2  0.8 ! A.300  at -3.38e+07
assign (resid 549 and name   HA) (resid 556 and name HG11)  3.0  1.2  0.3 ! A.301  at -5.92e+06
assign (resid 549 and name   HA) (resid 556 and name HG12)  4.0  2.2  1.0 ! A.302  at -3.23e+06
assign (resid 549 and name  HB1) (resid 556 and name HD1#)  3.0  1.2  0.8 ! A.320  at -6.43e+06
assign (resid 549 and name  HB1) (resid 556 and name HG11)  4.0  2.2  1.0 ! A.322  at -4.33e+06
assign (resid 549 and name  HB1) (resid 556 and name HG12)  4.0  2.2  1.0 ! A.324  at -3.45e+06
assign (resid 549 and name  HB1) (resid 556 and name HG2#)  4.0  2.2  2.5 ! A.326  at -1.77e+06
assign (resid 549 and name  HB2) (resid 556 and name HD1#)  3.0  1.2  0.8 ! A.321  at -6.23e+06
assign (resid 549 and name  HB2) (resid 556 and name HG11)  3.0  1.2  0.3 ! A.323  at -7.46e+06
assign (resid 549 and name  HB2) (resid 556 and name HG12)  3.0  1.2  0.3 ! A.325  at -5.95e+06
assign (resid 549 and name   HN) (resid 556 and name HD1#)  3.0  1.2  1.0 ! A.343  at  1.48e+07
assign (resid 549 and name   HN) (resid 556 and name HG11)  3.0  1.2  0.5 ! A.344  at  1.11e+07
assign (resid 549 and name   HN) (resid 556 and name HG12)  3.0  1.2  0.5 ! A.345  at  7.19e+06
assign (resid 549 and name  HB2) (resid 556 and name   HA)  4.0  2.2  1.0 ! A.617  at -2.77e+06
assign (resid 549 and name   HA) (resid 568 and name   HA)  3.0  1.2  0.3 ! A.303  at -9.49e+06
assign (resid 549 and name  HB1) (resid 568 and name   HA)  4.0  2.2  1.0 ! A.1071 at -3.86e+06
assign (resid 549 and name  HB2) (resid 568 and name   HA)  4.0  2.2  1.0 ! A.328  at -2.02e+06
assign (resid 549 and name   HN) (resid 568 and name   HA)  4.0  2.2  1.0 ! A.346  at  2.03e+06
assign (resid 549 and name   HA) (resid 568 and name   HN)  4.0  2.2  1.0 ! A.1108 at  5.41e+06
assign (resid 549 and name   HA) (resid 569 and name   HN)  3.0  1.2  0.5 ! A.1140 at  1.03e+07
assign (resid 549 and name  HB1) (resid 569 and name   HN)  4.0  2.2  1.0 ! A.329  at -2.44e+06
assign (resid 549 and name  HB2) (resid 569 and name   HN)  4.0  2.2  1.0 ! A.330  at -4.28e+06
assign (resid 549 and name   HN) (resid 569 and name   HN)  4.0  2.2  1.0 ! A.347  at  2.94e+06

! S550
assign (resid 550 and name  HB1) (resid 550 and name   HN)  3.0  1.2  0.5 ! A.363  at -1.18e+07
assign (resid 550 and name  HB2) (resid 550 and name   HN)  3.0  1.2  0.5 ! A.364  at -2.38e+07
assign (resid 550 and name   HA) (resid 551 and name   HN)  3.0  1.2  0.5 ! A.354  at -6.70e+06
assign (resid 550 and name  HB1) (resid 551 and name   HN)  3.0  1.2  0.5 ! A.404  at  1.32e+07
assign (resid 550 and name  HB2) (resid 551 and name   HN)  3.0  1.2  1.2 ! A.405  at  1.08e+07
assign (resid 550 and name   HN) (resid 551 and name  HA2)  4.0  2.2  1.9 ! A.380  at  3.23e+06
assign (resid 550 and name   HN) (resid 551 and name   HN)  3.0  1.2  1.2 ! A.406  at  1.42e+07
assign (resid 550 and name   HA) (resid 552 and name   HN)  4.0  2.2  1.0 ! A.355  at -1.81e+06
assign (resid 550 and name   HN) (resid 552 and name   HN)  4.0  2.2  1.0 ! A.382  at  3.10e+06
assign (resid 550 and name   HA) (resid 553 and name  HG1)  4.0  2.2  1.0 ! A.356  at -4.52e+06
assign (resid 550 and name   HA) (resid 553 and name   HN)  4.0  2.2  1.0 ! A.357  at -4.04e+06
assign (resid 550 and name   HN) (resid 553 and name   HN)  4.0  2.2  2.0 ! A.383  at  1.65e+06
assign (resid 550 and name   HA) (resid 553 and name HE21)  3.0  1.2  0.3 ! A.488  at  6.66e+06
assign (resid 550 and name  HB1) (resid 553 and name HE21)  4.0  2.2  1.0 ! A.490  at  1.96e+06
assign (resid 550 and name  HB2) (resid 553 and name HE21)  4.0  2.2  2.0 ! A.492  at  1.41e+06
assign (resid 550 and name   HA) (resid 553 and name HE22)  3.0  1.2  0.3 ! A.489  at  1.13e+07
assign (resid 550 and name  HB1) (resid 553 and name HE22)  4.0  2.2  2.0 ! A.491  at  1.54e+06
assign (resid 550 and name  HB2) (resid 553 and name HE22)  4.0  2.2  2.0 ! A.493  at  1.29e+06
assign (resid 550 and name   HA) (resid 556 and name HD1#)  4.0  2.2  1.5 ! A.358  at -1.82e+06
assign (resid 550 and name  HB2) (resid 556 and name HD1#)  4.0  2.2  1.5 ! A.367  at -3.12e+06
assign (resid 550 and name   HN) (resid 556 and name HD1#)  3.0  1.2  1.0 ! A.384  at  2.31e+07
assign (resid 550 and name   HN) (resid 556 and name HG11)  4.0  2.2  1.0 ! A.385  at  3.27e+06
assign (resid 550 and name   HN) (resid 556 and name HG12)  4.0  2.2  2.0 ! A.386  at  1.73e+06
assign (resid 550 and name   HA) (resid 566 and name  HB1)  4.0  2.2  1.0 ! A.359  at -2.07e+06
assign (resid 550 and name  HB1) (resid 566 and name  HB1)  3.0  1.2  0.3 ! A.368  at -1.35e+07
assign (resid 550 and name  HB1) (resid 566 and name  HD2)  3.0  1.2  0.3 ! A.370  at -1.04e+07
assign (resid 550 and name  HB2) (resid 566 and name  HB1)  3.0  1.2  0.3 ! A.369  at -1.12e+07
assign (resid 550 and name  HB2) (resid 566 and name  HD2)  3.0  1.2  0.3 ! A.371  at -1.28e+07
assign (resid 550 and name   HN) (resid 566 and name  HB1)  4.0  2.2  1.0 ! A.387  at  3.79e+06
assign (resid 550 and name  HB1) (resid 566 and name   HA)  4.0  2.2  1.0 ! A.977  at -2.13e+06
assign (resid 550 and name  HB1) (resid 566 and name  HD1)  4.0  2.2  1.0 ! A.990  at -3.75e+06
assign (resid 550 and name  HB1) (resid 567 and name   HN)  4.0  2.2  1.0 ! A.372  at -3.64e+06
assign (resid 550 and name  HB2) (resid 567 and name   HN)  3.0  1.2  1.0 ! A.1057 at  1.37e+07
assign (resid 550 and name   HN) (resid 567 and name  HB1)  3.0  1.2  0.5 ! A.388  at  6.36e+06
assign (resid 550 and name   HN) (resid 567 and name   HN)  3.0  1.2  0.5 ! A.1058 at  7.01e+06
assign (resid 550 and name   HN) (resid 568 and name   HA)  3.0  1.2  0.5 ! A.389  at  1.93e+07
assign (resid 550 and name  HB2) (resid 568 and name   HA)  4.0  2.2  1.0 ! A.1073 at -2.33e+06
assign (resid 550 and name   HN) (resid 569 and name   HN)  4.0  2.2  1.0 ! A.390  at  2.61e+06

! G551
assign (resid 551 and name  HA1) (resid 552 and name   HN)  3.0  1.2  0.5 ! A.395  at -9.57e+06
assign (resid 551 and name  HA2) (resid 552 and name   HN)  3.0  1.2  0.5 ! A.396  at -8.55e+06
assign (resid 551 and name   HN) (resid 552 and name   HA)  4.0  2.2  2.0 ! A.409  at  9.18e+05
assign (resid 551 and name   HN) (resid 552 and name   HN)  3.0  1.2  0.5 ! A.410  at  4.23e+07
assign (resid 551 and name   HN) (resid 552 and name  HB2)  4.0  2.2  1.0 ! A.419  at -2.17e+06
assign (resid 551 and name  HA1) (resid 553 and name   HN)  4.0  2.2  1.0 ! A.397  at -2.57e+06
assign (resid 551 and name   HN) (resid 553 and name  HG1)  3.0  1.2  1.1 ! A.411  at  7.91e+06
assign (resid 551 and name   HN) (resid 553 and name   HN)  3.0  1.2  0.5 ! A.412  at  1.21e+07
assign (resid 551 and name  HA1) (resid 553 and name HE21)  4.0  2.2  2.0 ! A.494  at  1.07e+06
assign (resid 551 and name  HA1) (resid 553 and name HE22)  4.0  2.2  1.0 ! A.495  at  2.11e+06
assign (resid 551 and name   HN) (resid 554 and name   HN)  4.0  2.2  2.0 ! A.413  at  9.88e+05
assign (resid 551 and name   HN) (resid 556 and name HD1#)  4.0  2.2  2.6 ! A.414  at  3.72e+06
!assign (resid 551 and name   HN) (resid 566 and name  HB1)  4.0  2.2  2.0 ! A.415  at  1.55e+06
assign (resid 551 and name   HN) (resid 568 and name   HA)  4.0  2.2  1.4 ! A.416  at  5.70e+06 !! relaxed
assign (resid 551 and name  HA1) (resid 572 and name  HB1)  4.0  2.2  1.0 ! A.398  at -4.64e+06
assign (resid 551 and name  HA1) (resid 572 and name  HB2)  4.0  2.2  1.0 ! A.400  at -3.90e+06
assign (resid 551 and name  HA2) (resid 572 and name  HB1)  4.0  2.2  1.0 ! A.399  at -3.59e+06
assign (resid 551 and name  HA2) (resid 572 and name  HB2)  4.0  2.2  1.8 ! A.401  at -4.07e+06
assign (resid 551 and name   HN) (resid 572 and name  HB1)  4.0  2.2  2.1 ! A.417  at  4.89e+06
assign (resid 551 and name   HN) (resid 572 and name  HB2)  4.0  2.2  2.2 ! A.418  at  4.58e+06

! C552
assign (resid 552 and name  HB1) (resid 552 and name   HN)  3.0  1.2  0.5 ! A.424  at -5.81e+06
assign (resid 552 and name  HB2) (resid 552 and name   HN)  3.0  1.2  0.5 ! A.425  at -8.84e+06
assign (resid 552 and name  HB1) (resid 553 and name   HN)  4.0  2.2  1.0 ! A.476  at  4.92e+06
assign (resid 552 and name  HB2) (resid 553 and name   HN)  4.0  2.2  1.0 ! A.427  at -4.27e+06
assign (resid 552 and name   HN) (resid 553 and name   HN)  2.5  0.7  0.4 ! A.440  at  4.72e+07
assign (resid 552 and name   HN) (resid 553 and name   HA)  3.0  1.2  1.1 ! A.447  at -7.07e+06
assign (resid 552 and name   HA) (resid 553 and name   HN)  3.0  1.2  0.5 ! A.475  at  1.12e+07
assign (resid 552 and name  HB1) (resid 554 and name  HD1)  4.0  2.2  1.0 ! A.428  at -2.69e+06
assign (resid 552 and name  HB1) (resid 554 and name  HG2)  4.0  2.2  1.0 ! A.429  at -2.67e+06
assign (resid 552 and name  HB1) (resid 554 and name   HN)  4.0  2.2  1.0 ! A.430  at -1.89e+06
assign (resid 552 and name   HN) (resid 554 and name   HN)  3.0  1.2  0.9 ! A.546  at  6.21e+06
assign (resid 552 and name   HA) (resid 554 and name   HN)  4.0  2.2  1.0 ! A.544  at  2.43e+06
assign (resid 552 and name   HN) (resid 556 and name HD1#)  4.0  2.2  1.5 ! A.442  at  1.90e+06
assign (resid 552 and name   HN) (resid 568 and name   HA)  4.0  2.2  1.0 ! A.443  at  1.82e+06
assign (resid 552 and name   HN) (resid 569 and name  HB1)  4.0  2.2  2.9 ! A.1126 at -2.09e+06
assign (resid 552 and name   HN) (resid 569 and name  HB2)  4.0  2.2  1.5 ! A.1127 at -4.78e+06
assign (resid 552 and name   HN) (resid 569 and name   HN)  4.0  2.2  1.0 ! A.1142 at  3.41e+06
assign (resid 552 and name   HN) (resid 572 and name  HB1)  4.0  2.2  2.0 ! A.1268 at -1.48e+06
assign (resid 552 and name   HN) (resid 572 and name  HB2)  4.0  2.2  2.0 ! A.1269 at -1.25e+06

! Q553
assign (resid 553 and name   HA) (resid 553 and name  HG1)  2.5  0.7  0.2 ! A.448  at -5.28e+07
assign (resid 553 and name   HA) (resid 553 and name  HG2)  3.0  1.2  0.7 ! A.449  at -1.85e+07
assign (resid 553 and name  HB1) (resid 553 and name   HN)  4.0  2.2  1.0 ! A.456  at -4.70e+06
assign (resid 553 and name  HG1) (resid 553 and name HE21)  3.0  1.2  0.3 ! A.461  at -9.37e+06
assign (resid 553 and name  HG1) (resid 553 and name HE22)  4.0  2.2  1.0 ! A.463  at -3.03e+06
assign (resid 553 and name  HG1) (resid 553 and name   HN)  3.0  1.2  0.9 ! A.465  at -9.08e+06
assign (resid 553 and name  HG2) (resid 553 and name HE21)  3.0  1.2  0.3 ! A.462  at -8.83e+06
assign (resid 553 and name  HG2) (resid 553 and name HE22)  4.0  2.2  1.0 ! A.464  at -2.49e+06
assign (resid 553 and name  HG2) (resid 553 and name   HN)  3.0  1.2  1.3 ! A.466  at -8.73e+06
assign (resid 553 and name HE21) (resid 553 and name   HA)  4.0  2.2  1.0 ! A.496  at  3.18e+06
assign (resid 553 and name HE21) (resid 553 and name   HN)  4.0  2.2  1.0 ! A.500  at  2.30e+06
assign (resid 553 and name HE22) (resid 553 and name   HA)  4.0  2.2  1.0 ! A.497  at  2.27e+06
assign (resid 553 and name HE22) (resid 553 and name   HN)  4.0  2.2  2.0 ! A.501  at  1.60e+06
assign (resid 553 and name   HA) (resid 554 and name   HN)  3.0  1.2  0.5 ! A.451  at -1.23e+07
assign (resid 553 and name   HN) (resid 554 and name   HN)  3.0  1.2  0.5 ! A.481  at  2.49e+07
assign (resid 553 and name  HB1) (resid 554 and name   HN)  3.0  1.2  1.4 ! A.548  at  1.34e+07
assign (resid 553 and name   HN) (resid 556 and name HD1#)  4.0  2.2  1.5 ! A.482  at  2.01e+06

! K554
assign (resid 554 and name   HA) (resid 554 and name  HD1)  3.0  1.2  0.3 ! A.506  at -1.94e+07
assign (resid 554 and name   HA) (resid 554 and name  HG1)  3.0  1.2  0.8 ! A.507  at -8.11e+06
assign (resid 554 and name   HA) (resid 554 and name  HG2)  3.0  1.2  0.3 ! A.508  at -1.55e+07
assign (resid 554 and name  HB1) (resid 554 and name   HN)  4.0  2.2  1.0 ! A.517  at -4.07e+06
assign (resid 554 and name  HD1) (resid 554 and name   HN)  4.0  2.2  1.0 ! A.524  at -4.03e+06
assign (resid 554 and name  HD2) (resid 554 and name   HA)  3.0  1.2  0.3 ! A.523  at -1.28e+07
assign (resid 554 and name  HD2) (resid 554 and name   HN)  4.0  2.2  1.0 ! A.525  at -3.18e+06
assign (resid 554 and name  HG1) (resid 554 and name   HN)  4.0  2.2  1.0 ! A.533  at -5.35e+06
assign (resid 554 and name  HG2) (resid 554 and name   HN)  3.0  1.2  0.5 ! A.534  at -5.72e+06
assign (resid 554 and name   HN) (resid 554 and name  HB2)  3.0  1.2  0.5 ! A.552  at  2.99e+07
assign (resid 554 and name   HA) (resid 555 and name  HD1)  3.0  1.2  0.3 ! A.510  at -3.41e+07
assign (resid 554 and name   HA) (resid 555 and name  HD2)  2.5  0.7  0.2 ! A.511  at -4.66e+07
assign (resid 554 and name  HB1) (resid 555 and name  HD1)  3.0  1.2  0.3 ! A.518  at -1.31e+07
assign (resid 554 and name  HB1) (resid 555 and name  HD2)  3.0  1.2  0.3 ! A.520  at -1.12e+07
assign (resid 554 and name  HB2) (resid 555 and name  HD1)  3.0  1.2  1.5 ! A.519  at -1.16e+07
assign (resid 554 and name  HB2) (resid 555 and name  HD2)  4.0  2.2  1.0 ! A.521  at -5.37e+06
assign (resid 554 and name  HD2) (resid 555 and name  HD1)  4.0  2.2  1.0 ! A.526  at -3.35e+06
assign (resid 554 and name  HG1) (resid 555 and name  HD1)  4.0  2.2  1.4 ! A.535  at -3.25e+06 !! relaxed
assign (resid 554 and name  HG1) (resid 555 and name  HD2)  4.0  2.2  1.0 ! A.537  at -2.69e+06
assign (resid 554 and name  HG2) (resid 555 and name  HD1)  4.0  2.2  1.0 ! A.536  at -3.54e+06
assign (resid 554 and name  HG2) (resid 555 and name  HD2)  4.0  2.2  1.0 ! A.538  at -4.28e+06
assign (resid 554 and name   HN) (resid 555 and name   HA)  4.0  2.2  1.0 ! A.556  at  2.21e+06
assign (resid 554 and name   HN) (resid 555 and name  HD1)  3.0  1.2  1.5 ! A.557  at  3.87e+07
assign (resid 554 and name   HN) (resid 555 and name  HD2)  4.0  2.2  1.0 ! A.558  at  3.02e+06
assign (resid 554 and name   HA) (resid 555 and name  HG1)  4.0  2.2  1.0 ! A.602  at -4.25e+06
assign (resid 554 and name   HA) (resid 555 and name  HG2)  4.0  2.2  1.0 ! A.603  at -5.09e+06
assign (resid 554 and name   HN) (resid 556 and name HD1#)  4.0  2.2  1.5 ! A.559  at  1.88e+06
assign (resid 554 and name   HN) (resid 556 and name HG12)  4.0  2.2  2.0 ! A.560  at  1.34e+06

! P555
assign (resid 555 and name   HA) (resid 555 and name  HD1)  4.0  2.2  1.0 ! A.567  at -4.37e+06
assign (resid 555 and name   HA) (resid 555 and name  HD2)  4.0  2.2  1.0 ! A.568  at -3.70e+06
assign (resid 555 and name   HA) (resid 555 and name  HG1)  3.0  1.2  0.3 ! A.569  at -8.46e+06
assign (resid 555 and name   HA) (resid 555 and name  HG2)  3.0  1.2  0.9 ! A.570  at -8.41e+06
assign (resid 555 and name  HB1) (resid 555 and name  HD1)  3.0  1.2  1.1 ! A.579  at -1.28e+07
assign (resid 555 and name  HB1) (resid 555 and name  HD2)  3.0  1.2  0.9 ! A.581  at -1.32e+07
assign (resid 555 and name  HB2) (resid 555 and name  HD1)  3.0  1.2  0.9 ! A.580  at -7.87e+06
assign (resid 555 and name   HA) (resid 556 and name HG11)  3.0  1.2  0.3 ! A.571  at -6.23e+06
assign (resid 555 and name   HA) (resid 556 and name HG12)  4.0  2.2  1.0 ! A.572  at -2.91e+06
assign (resid 555 and name  HB1) (resid 556 and name   HN)  3.0  1.2  0.5 ! A.582  at -8.02e+06
assign (resid 555 and name  HB2) (resid 556 and name   HN)  3.0  1.2  0.5 ! A.681  at  1.62e+07
assign (resid 555 and name   HA) (resid 556 and name   HA)  4.0  2.2  1.0 ! A.618  at -3.01e+06
assign (resid 555 and name   HA) (resid 556 and name   HB)  4.0  2.2  1.0 ! A.626  at -4.62e+06
assign (resid 555 and name  HB1) (resid 556 and name   HB)  3.0  1.2  2.0 ! A.627  at -6.43e+06
assign (resid 555 and name   HA) (resid 556 and name   HN)  2.5  0.7  0.4 ! A.679  at  1.25e+08
assign (resid 555 and name  HG2) (resid 556 and name   HN)  4.0  2.2  1.0 ! A.682  at  3.77e+06
assign (resid 555 and name  HB1) (resid 557 and name HG2#)  3.0  1.2  0.8 ! A.584  at -7.31e+06
assign (resid 555 and name  HB2) (resid 557 and name HG2#)  3.0  1.2  0.8 ! A.585  at -2.56e+07
assign (resid 555 and name  HG1) (resid 557 and name HG2#)  4.0  2.2  2.5 ! A.615  at -1.67e+06
assign (resid 555 and name  HG2) (resid 557 and name HG2#)  4.0  2.2  1.5 ! A.616  at -2.26e+06

! I556
assign (resid 556 and name   HA) (resid 556 and name HD1#)  4.0  2.2  1.5 ! A.620  at -4.98e+06
assign (resid 556 and name   HA) (resid 556 and name HG11)  3.0  1.2  0.3 ! A.621  at -8.54e+06
assign (resid 556 and name   HA) (resid 556 and name HG12)  3.0  1.2  0.3 ! A.622  at -1.21e+07
assign (resid 556 and name   HA) (resid 556 and name HG2#)  3.0  1.2  0.8 ! A.623  at -2.10e+07
assign (resid 556 and name   HB) (resid 556 and name HD1#)  3.0  1.2  0.8 ! A.629  at -2.34e+07
assign (resid 556 and name   HB) (resid 556 and name   HN)  3.0  1.2  0.5 ! A.633  at -2.11e+07
assign (resid 556 and name HD1#) (resid 556 and name   HN)  3.0  1.2  1.0 ! A.641  at -1.21e+07
assign (resid 556 and name HG11) (resid 556 and name   HN)  3.0  1.2  0.5 ! A.658  at -9.79e+06
assign (resid 556 and name HG12) (resid 556 and name   HN)  4.0  2.2  1.0 ! A.659  at -5.35e+06
assign (resid 556 and name HG2#) (resid 556 and name   HN)  3.0  1.2  1.0 ! A.665  at -1.05e+07
assign (resid 556 and name HG2#) (resid 557 and name   HA)  3.0  1.2  0.8 ! A.666  at -6.50e+06
assign (resid 556 and name HG2#) (resid 557 and name   HB)  4.0  2.2  2.5 ! A.693  at -1.68e+06
assign (resid 556 and name HG2#) (resid 558 and name   HN)  3.0  1.2  1.0 ! A.707  at  9.56e+06
assign (resid 556 and name HG2#) (resid 558 and name  HA1)  4.0  2.2  2.5 ! A.698  at -8.34e+05
assign (resid 556 and name HD1#) (resid 560 and name   HA)  3.0  1.2  0.8 ! A.739  at -8.25e+06
assign (resid 556 and name HG2#) (resid 560 and name   HA)  3.0  1.2  0.8 ! A.668  at -1.20e+07
assign (resid 556 and name HG2#) (resid 560 and name   HN)  4.0  2.2  1.5 ! A.669  at -3.52e+06
assign (resid 556 and name HD1#) (resid 560 and name  HB1)  3.0  1.2  0.8 ! A.749  at -1.09e+07
assign (resid 556 and name HG2#) (resid 560 and name  HB1)  3.0  1.2  0.8 ! A.751  at -2.31e+07
assign (resid 556 and name   HB) (resid 560 and name  HB2)  4.0  2.2  1.0 ! A.748  at -3.27e+06
assign (resid 556 and name HD1#) (resid 560 and name  HB2)  3.0  1.2  0.8 ! A.750  at -1.15e+07
assign (resid 556 and name HG2#) (resid 560 and name  HB2)  3.0  1.2  0.8 ! A.752  at -1.76e+07
assign (resid 556 and name HD1#) (resid 560 and name   HN)  4.0  2.2  1.5 ! A.763  at  2.20e+06
assign (resid 556 and name HG2#) (resid 561 and name   HN)  4.0  2.2  1.5 ! A.670  at -5.23e+06
assign (resid 556 and name HD1#) (resid 567 and name   HA)  3.0  1.2  0.8 ! A.1016 at -7.69e+06
assign (resid 556 and name HD1#) (resid 567 and name  HB1)  4.0  2.2  1.5 ! A.1027 at -5.34e+06
assign (resid 556 and name HD1#) (resid 567 and name  HB2)  4.0  2.2  1.5 ! A.1028 at -5.54e+06
assign (resid 556 and name HD1#) (resid 567 and name  HD1)  4.0  2.2  1.5 ! A.1036 at -2.18e+06
assign (resid 556 and name HD1#) (resid 567 and name  HD2)  4.0  2.2  1.5 ! A.1037 at -2.99e+06
assign (resid 556 and name HD1#) (resid 567 and name  HE1)  4.0  2.2  1.5 ! A.1045 at -3.73e+06
assign (resid 556 and name HD1#) (resid 567 and name  HG1)  4.0  2.2  1.5 ! A.1051 at -2.86e+06
assign (resid 556 and name HD1#) (resid 567 and name   HN)  3.0  1.2  1.5 ! A.1059 at  6.00e+06
assign (resid 556 and name HD1#) (resid 568 and name   HA)  3.0  1.2  0.8 ! A.644  at -1.30e+07
assign (resid 556 and name HG11) (resid 568 and name   HA)  4.0  2.2  1.0 ! A.1075 at -2.33e+06
assign (resid 556 and name HG12) (resid 568 and name   HA)  4.0  2.2  2.0 ! A.1076 at -1.79e+06
assign (resid 556 and name HG2#) (resid 568 and name   HA)  4.0  2.2  2.5 ! A.1077 at -1.63e+06
assign (resid 556 and name HD1#) (resid 568 and name   HN)  3.0  1.2  1.0 ! A.1109 at  2.44e+07
assign (resid 556 and name HG2#) (resid 568 and name   HN)  4.0  2.2  1.5 ! A.1110 at  3.55e+06
assign (resid 556 and name HD1#) (resid 569 and name   HA)  4.0  2.2  1.5 ! A.645  at -2.45e+06
assign (resid 556 and name HD1#) (resid 569 and name   HN)  3.0  1.2  1.0 ! A.646  at -8.50e+06
assign (resid 556 and name HG2#) (resid 569 and name   HA)  3.0  1.2  0.8 ! A.671  at -7.62e+06
assign (resid 556 and name HG2#) (resid 569 and name   HN)  4.0  2.2  1.5 ! A.672  at -1.87e+06
assign (resid 556 and name HG11) (resid 569 and name   HN)  4.0  2.2  1.0 ! A.1144 at  4.64e+06
assign (resid 556 and name HG12) (resid 569 and name   HN)  4.0  2.2  1.0 ! A.1145 at  5.08e+06
assign (resid 556 and name HG2#) (resid 570 and name  HD2)  4.0  2.2  1.5 ! A.673  at -3.74e+06
assign (resid 556 and name HG2#) (resid 570 and name  HG1)  3.0  1.2  0.8 ! A.674  at -7.60e+06
assign (resid 556 and name HD1#) (resid 570 and name  HD1)  4.0  2.2  1.5 ! A.1185 at -1.94e+06
assign (resid 556 and name HG2#) (resid 570 and name  HD1)  4.0  2.2  2.5 ! A.1186 at -5.16e+05

! T557
assign (resid 557 and name   HA) (resid 557 and name HG2#)  2.5  0.7  0.7 ! A.691  at -7.98e+07
assign (resid 557 and name   HA) (resid 558 and name   HN)  3.0  1.2  0.5 ! A.692  at -9.63e+06
assign (resid 557 and name HG2#) (resid 558 and name  HA1)  4.0  2.2  2.5 ! A.699  at -1.58e+06
assign (resid 557 and name HG2#) (resid 558 and name  HA2)  4.0  2.2  1.5 ! A.700  at -2.78e+06
assign (resid 557 and name   HB) (resid 558 and name   HN)  4.0  2.2  1.0 ! A.709  at  5.54e+06
assign (resid 557 and name HG2#) (resid 558 and name   HN)  4.0  2.2  1.5 ! A.710  at  5.20e+06

! G558
assign (resid 558 and name  HA1) (resid 559 and name   HN)  3.0  1.2  0.5 ! A.704  at -9.94e+06
assign (resid 558 and name  HA2) (resid 559 and name   HN)  3.0  1.2  0.5 ! A.705  at -1.07e+07
assign (resid 558 and name   HN) (resid 559 and name   HN)  4.0  2.2  1.0 ! A.713  at  1.85e+06
assign (resid 558 and name  HA1) (resid 570 and name  HG2)  4.0  2.2  1.0 ! A.706  at -3.21e+06
assign (resid 558 and name   HN) (resid 570 and name  HG2)  4.0  2.2  1.7 ! A.714  at  1.96e+06

! R559
assign (resid 559 and name   HA) (resid 559 and name  HD1)  3.0  1.2  0.3 ! A.716  at -7.16e+06
assign (resid 559 and name   HA) (resid 559 and name  HG2)  3.0  1.2  0.3 ! A.717  at -1.88e+07
assign (resid 559 and name  HB1) (resid 559 and name  HD1)  3.0  1.2  0.3 ! A.721  at -2.37e+07
assign (resid 559 and name  HB1) (resid 559 and name   HN)  3.0  1.2  0.5 ! A.723  at -1.19e+07
assign (resid 559 and name  HG1) (resid 559 and name   HA)  3.0  1.2  0.7 ! A.726  at -8.85e+06
assign (resid 559 and name  HG1) (resid 559 and name   HN)  3.0  1.2  0.5 ! A.731  at -6.07e+06
assign (resid 559 and name  HG2) (resid 559 and name   HN)  3.0  1.2  0.5 ! A.732  at -7.74e+06
assign (resid 559 and name   HN) (resid 559 and name  HD1)  4.0  2.2  1.0 ! A.737  at  3.61e+06
assign (resid 559 and name   HA) (resid 560 and name  HB1)  3.0  1.2  0.9 ! A.719  at -6.08e+06
assign (resid 559 and name   HA) (resid 560 and name  HB2)  4.0  2.2  1.5 ! A.754  at -4.73e+06
assign (resid 559 and name   HA) (resid 560 and name   HN)  2.5  0.7  0.4 ! A.765  at  1.05e+08
assign (resid 559 and name  HB1) (resid 560 and name   HN)  3.0  1.2  0.5 ! A.766  at  2.30e+07
assign (resid 559 and name  HD1) (resid 560 and name   HN)  4.0  2.2  1.0 ! A.767  at  2.75e+06
assign (resid 559 and name  HG2) (resid 560 and name   HN)  3.0  1.2  0.9 ! A.768  at  6.68e+06
assign (resid 559 and name  HD1) (resid 570 and name  HG1)  4.0  2.2  1.0 ! A.1209 at -1.96e+06

! C560
assign (resid 560 and name  HB1) (resid 560 and name   HN)  3.0  1.2  0.5 ! A.757  at -8.95e+06
assign (resid 560 and name  HB2) (resid 560 and name   HN)  3.0  1.2  1.0 ! A.758  at -8.45e+06
assign (resid 560 and name   HA) (resid 561 and name   HA)  4.0  2.2  1.0 ! A.743  at -2.68e+06
assign (resid 560 and name   HA) (resid 561 and name HG12)  4.0  2.2  1.0 ! A.744  at -2.44e+06
assign (resid 560 and name   HA) (resid 561 and name   HN)  2.5  0.7  0.4 ! A.745  at -6.31e+07
assign (resid 560 and name  HB1) (resid 561 and name   HA)  4.0  2.2  2.0 ! A.759  at -1.54e+06
assign (resid 560 and name  HB1) (resid 561 and name   HN)  3.0  1.2  0.9 ! A.761  at -1.78e+07
assign (resid 560 and name  HB2) (resid 561 and name   HA)  4.0  2.2  1.0 ! A.760  at -2.11e+06
assign (resid 560 and name  HB2) (resid 561 and name   HN)  3.0  1.2  0.5 ! A.762  at -1.90e+07
assign (resid 560 and name   HA) (resid 561 and name   HB)  4.0  2.2  1.0 ! A.780  at -3.55e+06
assign (resid 560 and name   HA) (resid 561 and name HG11)  4.0  2.2  1.0 ! A.802  at -2.39e+06
assign (resid 560 and name  HB2) (resid 568 and name   HN)  3.0  1.2  0.5 ! A.1111 at  1.03e+07
assign (resid 560 and name   HA) (resid 569 and name   HA)  3.0  1.2  1.0 ! A.746  at -6.06e+06
assign (resid 560 and name   HA) (resid 570 and name  HD2)  3.0  1.2  0.7 ! A.747  at -1.13e+07
assign (resid 560 and name   HA) (resid 570 and name   HA)  4.0  2.2  2.0 ! A.1157 at -1.51e+06
assign (resid 560 and name   HA) (resid 570 and name  HD1)  3.0  1.2  0.3 ! A.1188 at -1.03e+07
assign (resid 560 and name   HA) (resid 570 and name  HG1)  4.0  2.2  1.0 ! A.1210 at -2.53e+06
assign (resid 560 and name   HA) (resid 570 and name  HG2)  3.0  1.2  0.3 ! A.1211 at -6.82e+06

! I561
assign (resid 561 and name   HA) (resid 561 and name HD1#)  3.0  1.2  0.8 ! A.773  at -1.57e+07
assign (resid 561 and name   HA) (resid 561 and name HG11)  3.0  1.2  1.0 ! A.774  at -7.68e+06
assign (resid 561 and name   HA) (resid 561 and name HG12)  3.0  1.2  0.3 ! A.775  at -1.45e+07
assign (resid 561 and name   HA) (resid 561 and name HG2#)  3.0  1.2  0.8 ! A.776  at -4.09e+07
assign (resid 561 and name   HB) (resid 561 and name HD1#)  3.0  1.2  0.8 ! A.782  at -9.94e+06
assign (resid 561 and name   HB) (resid 561 and name   HN)  3.0  1.2  0.5 ! A.785  at -2.34e+07
assign (resid 561 and name HD1#) (resid 561 and name   HN)  4.0  2.2  1.5 ! A.796  at -4.43e+06
assign (resid 561 and name HG11) (resid 561 and name   HN)  3.0  1.2  0.5 ! A.812  at -6.87e+06
assign (resid 561 and name HG12) (resid 561 and name   HN)  3.0  1.2  0.5 ! A.813  at -7.34e+06
assign (resid 561 and name HG2#) (resid 561 and name   HN)  3.0  1.2  1.0 ! A.821  at -1.29e+07
assign (resid 561 and name   HA) (resid 562 and name   HB)  4.0  2.2  1.0 ! A.778  at -3.07e+06
assign (resid 561 and name   HB) (resid 562 and name   HN)  3.0  1.2  0.5 ! A.876  at  1.76e+07
assign (resid 561 and name HD1#) (resid 562 and name   HN)  3.0  1.2  1.0 ! A.877  at  7.32e+06
assign (resid 561 and name HG11) (resid 562 and name   HN)  4.0  2.2  1.3 ! A.878  at  6.44e+06
assign (resid 561 and name HG2#) (resid 562 and name   HA)  3.0  1.2  0.8 ! A.848  at -6.29e+06
assign (resid 561 and name HG2#) (resid 562 and name   HN)  2.5  0.7  0.9 ! A.879  at  5.82e+07
assign (resid 561 and name HG2#) (resid 562 and name   HB)  4.0  2.2  1.5 ! A.860  at -2.49e+06
assign (resid 561 and name   HA) (resid 562 and name   HN)  2.5  0.7  0.4 ! A.875  at  1.42e+08
assign (resid 561 and name   HN) (resid 562 and name   HN)  4.0  2.2  1.0 ! A.880  at  4.13e+06
assign (resid 561 and name   HB) (resid 563 and name   HA)  4.0  2.2  1.5 ! A.886  at -3.88e+06
assign (resid 561 and name HG2#) (resid 563 and name   HA)  4.0  2.2  1.5 ! A.887  at -1.98e+06
assign (resid 561 and name   HB) (resid 563 and name  HB#)  3.0  1.2  1.3 ! A.898  at -6.92e+06
assign (resid 561 and name HG2#) (resid 563 and name  HB#)  3.0  1.2  1.3 ! A.899  at -1.22e+07
assign (resid 561 and name HG2#) (resid 563 and name   HN)  3.0  1.2  1.0 ! A.907  at  8.58e+06
assign (resid 561 and name   HA) (resid 568 and name  HB2)  4.0  2.2  1.0 ! A.779  at -3.67e+06
assign (resid 561 and name   HB) (resid 568 and name  HB1)  4.0  2.2  1.0 ! A.787  at -5.53e+06
assign (resid 561 and name   HB) (resid 568 and name  HB2)  3.0  1.2  0.3 ! A.788  at -1.16e+07
assign (resid 561 and name HG11) (resid 568 and name  HB1)  4.0  2.2  2.0 ! A.815  at -1.71e+06
assign (resid 561 and name HG12) (resid 568 and name  HB1)  4.0  2.2  2.0 ! A.816  at -1.61e+06
assign (resid 561 and name HG2#) (resid 568 and name  HB1)  4.0  2.2  1.5 ! A.824  at -3.21e+06
assign (resid 561 and name HG2#) (resid 568 and name  HB2)  3.0  1.2  0.8 ! A.825  at -5.76e+06
assign (resid 561 and name   HN) (resid 568 and name  HB1)  4.0  2.2  1.0 ! A.843  at  3.58e+06
assign (resid 561 and name   HN) (resid 568 and name  HB2)  4.0  2.2  1.0 ! A.844  at  5.40e+06
assign (resid 561 and name   HB) (resid 568 and name   HA)  4.0  2.2  1.0 ! A.1078 at -2.89e+06
assign (resid 561 and name HD1#) (resid 568 and name  HB1)  4.0  2.2  2.5 ! A.1088 at -1.73e+06
assign (resid 561 and name HD1#) (resid 568 and name  HB2)  4.0  2.2  2.5 ! A.1089 at -1.47e+06
assign (resid 561 and name HG12) (resid 568 and name  HB2)  4.0  2.2  2.0 ! A.1091 at -1.54e+06
assign (resid 561 and name   HB) (resid 568 and name   HN)  3.0  1.2  0.5 ! A.1112 at  1.10e+07
assign (resid 561 and name HG12) (resid 568 and name   HN)  4.0  2.2  1.0 ! A.1113 at  3.89e+06
assign (resid 561 and name   HN) (resid 569 and name   HA)  4.0  2.2  2.0 ! A.845  at  1.42e+06
assign (resid 561 and name   HB) (resid 570 and name   HA)  4.0  2.2  1.0 ! A.789  at -3.37e+06
assign (resid 561 and name HD1#) (resid 570 and name  HB1)  3.0  1.2  0.8 ! A.798  at -7.25e+06
assign (resid 561 and name HG2#) (resid 570 and name   HA)  4.0  2.2  1.5 ! A.826  at -5.21e+06
assign (resid 561 and name   HN) (resid 570 and name  HD2)  4.0  2.2  1.0 ! A.846  at  3.62e+06
assign (resid 561 and name   HN) (resid 570 and name  HG2)  4.0  2.2  1.0 ! A.847  at  2.97e+06
assign (resid 561 and name HD1#) (resid 570 and name   HA)  3.0  1.2  0.8 ! A.1158 at -2.06e+07
assign (resid 561 and name HG11) (resid 570 and name   HA)  3.0  1.2  0.3 ! A.1159 at -1.48e+07
assign (resid 561 and name HG12) (resid 570 and name   HA)  3.0  1.2  0.3 ! A.1160 at -1.70e+07
assign (resid 561 and name   HN) (resid 570 and name   HA)  4.0  2.2  1.0 ! A.1161 at -2.62e+06
assign (resid 561 and name HG11) (resid 570 and name  HB1)  4.0  2.2  1.0 ! A.1174 at -2.66e+06
assign (resid 561 and name HG12) (resid 570 and name  HB1)  4.0  2.2  1.0 ! A.1175 at -3.72e+06
assign (resid 561 and name HG2#) (resid 570 and name  HB1)  4.0  2.2  1.5 ! A.1176 at -2.37e+06
assign (resid 561 and name HD1#) (resid 570 and name  HB2)  4.0  2.2  1.5 ! A.1173 at -4.71e+06
assign (resid 561 and name HG12) (resid 570 and name  HD1)  4.0  2.2  2.0 ! A.1190 at -1.74e+06
assign (resid 561 and name   HN) (resid 570 and name  HD1)  4.0  2.2  1.0 ! A.1192 at -2.51e+06
assign (resid 561 and name HG12) (resid 570 and name  HD2)  4.0  2.2  1.0 ! A.1191 at -1.95e+06
assign (resid 561 and name HD1#) (resid 570 and name  HG1)  4.0  2.2  1.5 ! A.1212 at -3.20e+06
assign (resid 561 and name HG12) (resid 570 and name  HG1)  4.0  2.2  1.0 ! A.1214 at -2.81e+06
assign (resid 561 and name HD1#) (resid 570 and name  HG2)  4.0  2.2  1.5 ! A.1213 at -2.46e+06
assign (resid 561 and name HD1#) (resid 571 and name   HN)  4.0  2.2  2.5 ! A.1245 at  9.79e+05
assign (resid 561 and name HD1#) (resid 572 and name   HN)  4.0  2.2  1.5 ! A.1281 at  2.24e+06
assign (resid 561 and name   HB) (resid 573 and name  HB1)  4.0  2.2  1.0 ! A.790  at -5.17e+06
assign (resid 561 and name   HB) (resid 573 and name  HB2)  4.0  2.2  1.0 ! A.791  at -2.71e+06
assign (resid 561 and name HD1#) (resid 573 and name  HB1)  3.0  1.2  0.8 ! A.799  at -9.09e+06
assign (resid 561 and name HD1#) (resid 573 and name   HN)  4.0  2.2  1.5 ! A.800  at -5.10e+06
assign (resid 561 and name HG2#) (resid 573 and name  HB1)  3.0  1.2  0.8 ! A.827  at -6.17e+06
assign (resid 561 and name HG2#) (resid 573 and name  HB2)  4.0  2.2  1.5 ! A.1304 at -2.58e+06
assign (resid 561 and name HG2#) (resid 573 and name   HN)  4.0  2.2  1.5 ! A.829  at -2.89e+06
assign (resid 561 and name HG2#) (resid 573 and name   HA)  4.0  2.2  1.5 ! A.1299 at -2.07e+06
assign (resid 561 and name HG12) (resid 573 and name   HN)  4.0  2.2  2.0 ! A.1316 at  1.34e+06
assign (resid 561 and name HD1#) (resid 583 and name   HA)  3.0  1.2  0.8 ! A.801  at -8.57e+06
assign (resid 561 and name HG2#) (resid 583 and name   HA)  4.0  2.2  1.5 ! A.830  at -5.63e+06
assign (resid 561 and name HG2#) (resid 584 and name  HB1)  3.0  1.2  0.8 ! A.831  at -7.53e+06
assign (resid 561 and name HG2#) (resid 584 and name  HD1)  3.0  1.2  1.2 ! A.832  at -1.08e+07
assign (resid 561 and name HG2#) (resid 584 and name   HA)  4.0  2.2  1.5 ! A.1785 at -4.71e+06
assign (resid 561 and name HD1#) (resid 584 and name  HB1)  4.0  2.2  1.5 ! A.1792 at -4.41e+06
assign (resid 561 and name HG2#) (resid 584 and name  HG1)  3.0  1.2  0.8 ! A.1801 at -5.76e+06
assign (resid 561 and name HD1#) (resid 584 and name   HN)  4.0  2.2  2.5 ! A.1806 at  1.03e+06

! T562
assign (resid 562 and name   HA) (resid 562 and name HG2#)  3.0  1.2  0.8 ! A.850  at -2.79e+07
assign (resid 562 and name   HB) (resid 562 and name   HN)  3.0  1.2  0.5 ! A.863  at -2.43e+07
assign (resid 562 and name HG2#) (resid 562 and name   HN)  3.0  1.2  1.0 ! A.871  at -8.36e+06
assign (resid 562 and name   HA) (resid 563 and name  HB#)  3.0  1.2  0.8 ! A.852  at -7.13e+06
assign (resid 562 and name   HA) (resid 563 and name   HN)  2.5  0.7  0.4 ! A.853  at -5.35e+07
assign (resid 562 and name   HB) (resid 563 and name  HB#)  4.0  2.2  1.5 ! A.864  at -2.94e+06
assign (resid 562 and name   HB) (resid 563 and name   HN)  3.0  1.2  1.2 ! A.865  at -6.04e+06
assign (resid 562 and name HG2#) (resid 563 and name   HN)  3.0  1.2  1.0 ! A.872  at -2.49e+07
assign (resid 562 and name   HN) (resid 563 and name  HB#)  3.0  1.2  1.6 ! A.884  at  5.80e+06
assign (resid 562 and name   HA) (resid 563 and name   HA)  4.0  2.2  1.0 ! A.888  at -5.31e+06
assign (resid 562 and name HG2#) (resid 563 and name   HA)  3.0  1.2  0.8 ! A.889  at -7.96e+06
assign (resid 562 and name HG2#) (resid 564 and name   HN)  4.0  2.2  1.5 ! A.940  at  3.68e+06
assign (resid 562 and name HG2#) (resid 565 and name   HA)  3.0  1.2  0.8 ! A.950  at -7.63e+06
assign (resid 562 and name HG2#) (resid 565 and name   HN)  3.0  1.2  1.0 ! A.965  at  9.91e+06
assign (resid 562 and name   HA) (resid 566 and name   HN)  4.0  2.2  1.0 ! A.854  at -3.59e+06
!assign (resid 562 and name   HB) (resid 566 and name   HN)  4.0  2.2  2.0 ! A.866  at -9.60e+05
assign (resid 562 and name HG2#) (resid 566 and name   HN)  3.0  1.2  1.0 ! A.873  at -6.06e+06
assign (resid 562 and name   HA) (resid 567 and name  HD2)  4.0  2.2  1.0 ! A.855  at -4.35e+06
assign (resid 562 and name   HA) (resid 567 and name  HE1)  4.0  2.2  1.0 ! A.856  at -3.58e+06
assign (resid 562 and name   HA) (resid 567 and name  HG1)  3.0  1.2  0.3 ! A.857  at -7.00e+06
assign (resid 562 and name   HB) (resid 567 and name  HD2)  4.0  2.2  1.0 ! A.867  at -2.44e+06
assign (resid 562 and name   HB) (resid 567 and name  HE1)  4.0  2.2  1.0 ! A.868  at -1.98e+06
assign (resid 562 and name HG2#) (resid 567 and name  HE1)  3.0  1.2  0.8 ! A.874  at -2.17e+07
assign (resid 562 and name HG2#) (resid 567 and name   HA)  4.0  2.2  1.5 ! A.1017 at -4.16e+06
assign (resid 562 and name   HA) (resid 568 and name  HB2)  4.0  2.2  1.5 ! A.858  at -2.04e+06
assign (resid 562 and name   HN) (resid 584 and name  HE1)  4.0  2.2  1.0 ! A.885  at  3.84e+06

! A563
assign (resid 563 and name  HB#) (resid 563 and name   HN)  3.0  1.2  1.0 ! A.901  at -1.85e+07
assign (resid 563 and name   HA) (resid 564 and name   HA)  3.0  1.2  1.4 ! A.892  at -1.12e+07
assign (resid 563 and name   HA) (resid 564 and name  HG1)  4.0  2.2  1.0 ! A.893  at -2.60e+06
assign (resid 563 and name   HA) (resid 564 and name   HN)  2.5  0.7  0.4 ! A.894  at -7.31e+07
assign (resid 563 and name  HB#) (resid 564 and name   HA)  4.0  2.2  1.5 ! A.902  at -3.86e+06
assign (resid 563 and name  HB#) (resid 564 and name  HG1)  3.0  1.2  0.8 ! A.931  at -6.30e+06
assign (resid 563 and name  HB#) (resid 564 and name   HN)  3.0  1.2  1.0 ! A.904  at -1.76e+07
assign (resid 563 and name   HN) (resid 564 and name   HN)  3.0  1.2  0.9 ! A.913  at  6.01e+06
assign (resid 563 and name  HB#) (resid 564 and name  HG2)  4.0  2.2  1.5 ! A.932  at -4.85e+06
assign (resid 563 and name   HN) (resid 565 and name   HA)  4.0  2.2  2.0 ! A.914  at  1.43e+06
assign (resid 563 and name   HA) (resid 565 and name   HN)  3.0  1.2  0.9 ! A.966  at  1.51e+07
assign (resid 563 and name  HB#) (resid 565 and name   HN)  3.0  1.2  1.0 ! A.967  at  6.55e+06
assign (resid 563 and name   HA) (resid 566 and name  HB1)  4.0  2.2  2.2 ! A.895  at -3.03e+06
assign (resid 563 and name   HA) (resid 566 and name   HN)  4.0  2.2  1.0 ! A.896  at -3.42e+06
assign (resid 563 and name  HB#) (resid 566 and name  HB1)  3.0  1.2  0.8 ! A.905  at -8.43e+06
assign (resid 563 and name  HB#) (resid 566 and name   HN)  4.0  2.2  1.5 ! A.906  at -2.47e+06
assign (resid 563 and name   HN) (resid 566 and name  HB1)  3.0  1.2  1.1 ! A.915  at  5.80e+06
assign (resid 563 and name   HN) (resid 566 and name   HN)  3.0  1.2  0.5 ! A.916  at  2.51e+07
assign (resid 563 and name   HN) (resid 566 and name   HA)  4.0  2.2  1.0 ! A.978  at -3.43e+06
assign (resid 563 and name   HN) (resid 567 and name  HD2)  3.0  1.2  0.5 ! A.917  at  7.66e+06
assign (resid 563 and name   HN) (resid 567 and name  HE1)  4.0  2.2  2.0 ! A.918  at  1.51e+06
assign (resid 563 and name   HN) (resid 567 and name  HG1)  4.0  2.2  1.0 ! A.919  at  2.49e+06
assign (resid 563 and name   HN) (resid 567 and name   HA)  3.0  1.2  0.5 ! A.1018 at -6.77e+06
assign (resid 563 and name   HA) (resid 584 and name  HE1)  4.0  2.2  1.0 ! A.897  at -4.77e+06

! M564
assign (resid 564 and name   HA) (resid 564 and name  HG1)  3.0  1.2  0.3 ! A.922  at -1.95e+07
assign (resid 564 and name  HB1) (resid 564 and name   HN)  4.0  2.2  2.0 ! A.927  at -1.68e+06
assign (resid 564 and name  HG1) (resid 564 and name   HN)  4.0  2.2  1.0 ! A.937  at -3.40e+06
assign (resid 564 and name  HG2) (resid 564 and name   HN)  3.0  1.2  0.5 ! A.938  at -5.97e+06
assign (resid 564 and name   HN) (resid 564 and name  HB2)  3.0  1.2  0.5 ! A.945  at  1.73e+07
assign (resid 564 and name   HA) (resid 565 and name   HN)  2.5  0.7  0.4 ! A.968  at  4.41e+07
assign (resid 564 and name  HB1) (resid 565 and name  HB#)  4.0  2.2  1.5 ! A.928  at -3.50e+06
assign (resid 564 and name  HB1) (resid 565 and name   HN)  3.0  1.2  1.1 ! A.969  at  1.35e+07
assign (resid 564 and name  HB2) (resid 565 and name   HN)  3.0  1.2  0.9 ! A.970  at  1.43e+07
assign (resid 564 and name  HG1) (resid 565 and name   HN)  4.0  2.2  1.0 ! A.971  at  4.49e+06
assign (resid 564 and name   HN) (resid 565 and name   HA)  4.0  2.2  1.4 ! A.947  at  3.54e+06
assign (resid 564 and name   HN) (resid 565 and name   HN)  3.0  1.2  0.5 ! A.948  at  3.87e+07
assign (resid 564 and name  HB1) (resid 565 and name   HA)  4.0  2.2  1.6 ! A.951  at -2.37e+06
assign (resid 564 and name  HB2) (resid 565 and name   HA)  4.0  2.2  1.6 ! A.952  at -2.46e+06
assign (resid 564 and name   HA) (resid 565 and name  HB#)  4.0  2.2  1.5 ! A.958  at -4.34e+06
assign (resid 564 and name   HN) (resid 565 and name  HB#)  4.0  2.2  1.5 ! A.959  at -4.04e+06
assign (resid 564 and name   HN) (resid 566 and name   HN)  4.0  2.2  1.0 ! A.949  at  5.51e+06
assign (resid 564 and name   HA) (resid 566 and name   HN)  3.0  1.2  1.0 ! A.1004 at  7.89e+06
assign (resid 564 and name  HB1) (resid 566 and name   HN)  3.0  1.2  1.0 ! A.1005 at  1.72e+07
assign (resid 564 and name  HB2) (resid 566 and name   HN)  3.0  1.2  0.5 ! A.1006 at  1.72e+07
assign (resid 564 and name  HG1) (resid 566 and name   HN)  4.0  2.2  2.0 ! A.1007 at  1.76e+06

! A565
assign (resid 565 and name  HB#) (resid 565 and name   HN)  3.0  1.2  1.0 ! A.961  at -4.21e+07
assign (resid 565 and name   HA) (resid 566 and name   HA)  4.0  2.2  1.0 ! A.956  at -2.33e+06
assign (resid 565 and name   HA) (resid 566 and name   HN)  3.0  1.2  0.5 ! A.957  at -1.43e+07
assign (resid 565 and name  HB#) (resid 566 and name   HA)  4.0  2.2  1.5 ! A.962  at -3.53e+06
assign (resid 565 and name  HB#) (resid 566 and name  HE1)  4.0  2.2  1.5 ! A.963  at -3.39e+06
assign (resid 565 and name  HB#) (resid 566 and name   HN)  3.0  1.2  1.0 ! A.964  at -1.19e+07
assign (resid 565 and name   HN) (resid 566 and name  HB1)  4.0  2.2  1.0 ! A.975  at  2.65e+06
assign (resid 565 and name   HN) (resid 566 and name   HN)  2.5  0.7  0.4 ! A.976  at  4.34e+07

! K566
assign (resid 566 and name   HA) (resid 566 and name  HD2)  3.0  1.2  1.3 ! A.980  at -4.33e+07
assign (resid 566 and name   HA) (resid 566 and name  HE1)  3.0  1.2  1.4 ! A.981  at -7.44e+06
assign (resid 566 and name   HA) (resid 566 and name  HG1)  3.0  1.2  0.3 ! A.982  at -3.07e+07
assign (resid 566 and name  HB1) (resid 566 and name  HD2)  3.0  1.2  0.3 ! A.986  at -2.82e+07
assign (resid 566 and name  HB1) (resid 566 and name  HE1)  4.0  2.2  1.0 ! A.987  at -3.48e+06
assign (resid 566 and name  HB1) (resid 566 and name   HN)  3.0  1.2  0.5 ! A.989  at -9.04e+06
assign (resid 566 and name  HD1) (resid 566 and name   HA)  4.0  2.2  1.0 ! A.992  at -3.03e+06
assign (resid 566 and name  HD1) (resid 566 and name  HB1)  2.5  0.7  1.1 ! A.993  at -1.24e+08
assign (resid 566 and name  HD1) (resid 566 and name   HN)  4.0  2.2  1.5 ! A.996  at -2.17e+06
assign (resid 566 and name  HD2) (resid 566 and name   HN)  4.0  2.2  2.0 ! A.997  at -1.60e+06
assign (resid 566 and name  HG1) (resid 566 and name  HE1)  3.0  1.2  0.3 ! A.1001 at -7.88e+06
assign (resid 566 and name   HN) (resid 566 and name  HE1)  4.0  2.2  1.0 ! A.1014 at  5.65e+06
assign (resid 566 and name   HN) (resid 566 and name  HG1)  3.0  1.2  0.5 ! A.1015 at  1.70e+07
assign (resid 566 and name   HA) (resid 567 and name   HA)  4.0  2.2  1.0 ! A.1019 at -3.14e+06
assign (resid 566 and name   HA) (resid 567 and name  HD1)  4.0  2.2  1.0 ! A.1038 at -2.60e+06
assign (resid 566 and name   HA) (resid 567 and name  HE1)  4.0  2.2  1.6 ! A.1047 at -3.15e+06
assign (resid 566 and name   HA) (resid 567 and name   HN)  2.5  0.7  0.4 ! A.1060 at  5.93e+07
assign (resid 566 and name  HB1) (resid 567 and name   HN)  3.0  1.2  0.5 ! A.1061 at  3.06e+07

! K567
assign (resid 567 and name   HA) (resid 567 and name  HD1)  3.0  1.2  0.3 ! A.1020 at -2.27e+07
assign (resid 567 and name   HA) (resid 567 and name  HD2)  4.0  2.2  1.0 ! A.1021 at -2.93e+06
assign (resid 567 and name   HA) (resid 567 and name  HE1)  4.0  2.2  1.0 ! A.1022 at -4.63e+06
assign (resid 567 and name   HA) (resid 567 and name  HG1)  3.0  1.2  0.3 ! A.1023 at -2.33e+07
assign (resid 567 and name  HB1) (resid 567 and name   HN)  4.0  2.2  1.0 ! A.1031 at -5.16e+06
assign (resid 567 and name  HB2) (resid 567 and name   HN)  4.0  2.2  1.0 ! A.1032 at -2.67e+06
assign (resid 567 and name  HE1) (resid 567 and name  HG1)  3.0  1.2  0.3 ! A.1049 at -3.48e+07
assign (resid 567 and name  HE1) (resid 567 and name   HN)  4.0  2.2  1.0 ! A.1050 at -2.25e+06
assign (resid 567 and name  HG1) (resid 567 and name   HN)  4.0  2.2  1.0 ! A.1054 at -3.98e+06
assign (resid 567 and name   HN) (resid 567 and name  HD1)  2.5  0.7  0.4 ! A.1065 at  4.64e+07
assign (resid 567 and name   HN) (resid 567 and name  HD2)  2.5  0.7  0.4 ! A.1066 at  5.55e+07
assign (resid 567 and name   HA) (resid 568 and name  HB1)  4.0  2.2  1.6 ! A.1025 at -2.62e+06
assign (resid 567 and name   HA) (resid 568 and name  HB2)  4.0  2.2  1.0 ! A.1026 at -2.15e+06
assign (resid 567 and name  HB1) (resid 568 and name   HN)  4.0  2.2  1.0 ! A.1033 at -3.73e+06
assign (resid 567 and name  HB2) (resid 568 and name   HN)  3.0  1.2  0.5 ! A.1115 at  2.95e+07
assign (resid 567 and name  HD2) (resid 568 and name   HN)  4.0  2.2  1.0 ! A.1044 at -2.33e+06
assign (resid 567 and name  HG1) (resid 568 and name   HN)  3.0  1.2  0.5 ! A.1116 at  1.17e+07
assign (resid 567 and name   HN) (resid 568 and name   HA)  4.0  2.2  2.0 ! A.1069 at  1.38e+06
assign (resid 567 and name   HA) (resid 568 and name   HA)  4.0  2.2  1.0 ! A.1079 at -2.86e+06
assign (resid 567 and name  HB1) (resid 568 and name   HA)  4.0  2.2  1.0 ! A.1080 at -2.49e+06
assign (resid 567 and name   HA) (resid 568 and name   HN)  2.5  0.7  0.4 ! A.1114 at  9.14e+07
assign (resid 567 and name   HN) (resid 568 and name   HN)  3.0  1.2  1.4 ! A.1117 at  5.97e+06

! F568
assign (resid 568 and name  HB1) (resid 568 and name   HN)  4.0  2.2  1.0 ! A.1098 at -4.91e+06
assign (resid 568 and name  HB2) (resid 568 and name   HN)  3.0  1.2  0.5 ! A.1099 at -8.45e+06
assign (resid 568 and name   HA) (resid 569 and name  HB1)  4.0  2.2  1.5 ! A.1084 at -2.95e+06
assign (resid 568 and name   HA) (resid 569 and name   HN)  2.5  0.7  0.4 ! A.1147 at  6.67e+07
assign (resid 568 and name  HB1) (resid 569 and name   HN)  4.0  2.2  1.0 ! A.1100 at -5.64e+06
assign (resid 568 and name  HB2) (resid 569 and name   HN)  3.0  1.2  0.9 ! A.1148 at  2.49e+07
assign (resid 568 and name   HN) (resid 569 and name   HN)  4.0  2.2  1.0 ! A.1121 at  3.04e+06
assign (resid 568 and name  HB1) (resid 570 and name   HA)  4.0  2.2  1.0 ! A.1162 at -1.96e+06
assign (resid 568 and name  HB1) (resid 572 and name   HN)  4.0  2.2  2.0 ! A.1102 at -9.75e+05
assign (resid 568 and name   HA) (resid 572 and name   HN)  4.0  2.2  1.4 ! A.1282 at  2.10e+06
assign (resid 568 and name   HA) (resid 573 and name  HB2)  4.0  2.2  2.0 ! A.1086 at -1.10e+06
assign (resid 568 and name  HB1) (resid 573 and name   HA)  4.0  2.2  1.0 ! A.1103 at -2.07e+06
assign (resid 568 and name  HB1) (resid 573 and name  HB2)  3.0  1.2  0.3 ! A.1106 at -6.83e+06
assign (resid 568 and name  HB2) (resid 573 and name   HA)  4.0  2.2  2.0 ! A.1104 at -1.60e+06
assign (resid 568 and name  HB2) (resid 573 and name  HB1)  4.0  2.2  1.0 ! A.1105 at -2.43e+06
assign (resid 568 and name  HB2) (resid 573 and name  HB2)  3.0  1.2  0.3 ! A.1107 at -6.27e+06
assign (resid 568 and name   HN) (resid 573 and name  HB2)  4.0  2.2  1.0 ! A.1122 at  1.93e+06
assign (resid 568 and name  HB2) (resid 573 and name   HN)  3.0  1.2  1.0 ! A.1318 at  6.02e+06

! H569
assign (resid 569 and name  HB1) (resid 569 and name   HN)  4.0  2.2  1.0 ! A.1132 at -5.44e+06
assign (resid 569 and name   HN) (resid 569 and name  HB2)  3.0  1.2  0.5 ! A.1151 at  4.23e+07
assign (resid 569 and name   HA) (resid 570 and name  HD1)  3.0  1.2  0.3 ! A.1123 at -2.93e+07
assign (resid 569 and name   HA) (resid 570 and name  HD2)  3.0  1.2  0.3 ! A.1124 at -3.40e+07
assign (resid 569 and name  HB1) (resid 570 and name  HD1)  4.0  2.2  2.0 ! A.1133 at -1.65e+06
assign (resid 569 and name  HB1) (resid 570 and name  HD2)  4.0  2.2  2.0 ! A.1134 at -1.46e+06
assign (resid 569 and name   HN) (resid 570 and name  HD1)  4.0  2.2  1.0 ! A.1152 at  4.97e+06
assign (resid 569 and name   HN) (resid 570 and name  HD2)  4.0  2.2  1.0 ! A.1153 at  1.89e+06
assign (resid 569 and name   HA) (resid 570 and name   HA)  4.0  2.2  2.0 ! A.1163 at -1.13e+06
assign (resid 569 and name  HB2) (resid 570 and name  HD1)  4.0  2.2  1.0 ! A.1196 at -3.87e+06
assign (resid 569 and name  HB2) (resid 570 and name  HD2)  4.0  2.2  1.0 ! A.1197 at -4.48e+06
assign (resid 569 and name   HA) (resid 570 and name  HG1)  4.0  2.2  1.0 ! A.1215 at -2.08e+06
assign (resid 569 and name   HA) (resid 570 and name  HG2)  4.0  2.2  1.0 ! A.1216 at -2.12e+06
assign (resid 569 and name  HB1) (resid 571 and name   HN)  3.0  1.2  0.5 ! A.1247 at  7.62e+06
assign (resid 569 and name  HB2) (resid 571 and name   HN)  4.0  2.2  1.0 ! A.1136 at -2.11e+06
assign (resid 569 and name  HB1) (resid 571 and name  HG2)  4.0  2.2  2.0 ! A.1233 at -9.78e+05
assign (resid 569 and name  HB2) (resid 571 and name  HG2)  4.0  2.2  1.0 ! A.1234 at -3.07e+06
assign (resid 569 and name   HA) (resid 571 and name   HN)  4.0  2.2  1.0 ! A.1246 at  2.95e+06
assign (resid 569 and name   HN) (resid 571 and name   HN)  4.0  2.2  2.0 ! A.1248 at  1.78e+06
assign (resid 569 and name   HA) (resid 572 and name  HB2)  3.0  1.2  1.8 ! A.1125 at -1.57e+07
assign (resid 569 and name  HB1) (resid 572 and name  HB1)  4.0  2.2  1.0 ! A.1137 at -2.34e+06
assign (resid 569 and name  HB1) (resid 572 and name   HN)  3.0  1.2  0.5 ! A.1284 at  2.01e+07
assign (resid 569 and name  HB2) (resid 572 and name   HN)  4.0  2.2  1.0 ! A.1139 at -3.22e+06
assign (resid 569 and name   HN) (resid 572 and name  HB1)  4.0  2.2  1.0 ! A.1154 at  5.55e+06
assign (resid 569 and name  HB1) (resid 572 and name   HA)  4.0  2.2  2.0 ! A.1259 at -1.15e+06
assign (resid 569 and name  HB1) (resid 572 and name  HB2)  4.0  2.2  1.0 ! A.1271 at -2.58e+06
assign (resid 569 and name   HN) (resid 572 and name  HB2)  4.0  2.2  2.0 ! A.1273 at -7.07e+05
assign (resid 569 and name   HA) (resid 572 and name   HN)  4.0  2.2  1.0 ! A.1283 at  3.64e+06
assign (resid 569 and name   HN) (resid 572 and name   HN)  3.0  1.2  0.5 ! A.1285 at  6.10e+06
assign (resid 569 and name   HN) (resid 573 and name  HB2)  4.0  2.2  1.0 ! A.1155 at  2.08e+06
assign (resid 569 and name   HN) (resid 573 and name   HN)  4.0  2.2  2.0 ! A.1156 at  1.23e+06

! P570
assign (resid 570 and name   HA) (resid 570 and name  HG1)  3.0  1.2  0.3 ! A.1166 at -6.31e+06
assign (resid 570 and name   HA) (resid 570 and name  HG2)  3.0  1.2  0.9 ! A.1167 at -1.39e+07
assign (resid 570 and name  HB1) (resid 570 and name  HD2)  4.0  2.2  1.0 ! A.1180 at -5.33e+06
assign (resid 570 and name  HD1) (resid 570 and name  HB1)  4.0  2.2  1.0 ! A.1198 at -3.11e+06
assign (resid 570 and name  HD1) (resid 570 and name  HB2)  4.0  2.2  1.0 ! A.1200 at -3.77e+06
assign (resid 570 and name   HA) (resid 571 and name   HN)  3.0  1.2  0.5 ! A.1168 at -5.87e+06
assign (resid 570 and name  HB1) (resid 571 and name   HN)  3.0  1.2  1.3 ! A.1183 at -5.88e+06
assign (resid 570 and name  HB2) (resid 571 and name   HN)  3.0  1.2  0.5 ! A.1184 at -7.46e+06
assign (resid 570 and name  HD1) (resid 571 and name   HN)  4.0  2.2  1.0 ! A.1207 at -3.23e+06
assign (resid 570 and name  HD2) (resid 571 and name   HN)  3.0  1.2  0.5 ! A.1250 at  1.80e+07
assign (resid 570 and name  HG1) (resid 571 and name   HN)  4.0  2.2  1.0 ! A.1223 at -3.40e+06
assign (resid 570 and name   HA) (resid 572 and name   HN)  4.0  2.2  1.0 ! A.1169 at -3.59e+06
assign (resid 570 and name   HA) (resid 573 and name  HB1)  4.0  2.2  1.0 ! A.1170 at -5.32e+06
assign (resid 570 and name   HA) (resid 573 and name   HN)  4.0  2.2  1.0 ! A.1171 at -5.18e+06

! E571
assign (resid 571 and name   HA) (resid 571 and name  HG1)  3.0  1.2  0.7 ! A.1225 at -1.92e+07
assign (resid 571 and name  HB1) (resid 571 and name   HN)  3.0  1.2  0.5 ! A.1231 at -7.27e+06
assign (resid 571 and name  HB2) (resid 571 and name   HN)  3.0  1.2  0.5 ! A.1232 at -6.76e+06
assign (resid 571 and name  HG1) (resid 571 and name   HN)  3.0  1.2  0.5 ! A.1241 at -7.81e+06
assign (resid 571 and name  HG2) (resid 571 and name   HA)  3.0  1.2  0.7 ! A.1236 at -7.43e+06
assign (resid 571 and name  HG2) (resid 571 and name   HN)  3.0  1.2  0.5 ! A.1242 at -6.94e+06
assign (resid 571 and name   HA) (resid 572 and name   HN)  3.0  1.2  0.5 ! A.1227 at -8.65e+06
assign (resid 571 and name  HG1) (resid 572 and name   HN)  3.0  1.2  0.5 ! A.1289 at  1.26e+07
assign (resid 571 and name  HG2) (resid 572 and name   HN)  3.0  1.2  0.5 ! A.1290 at  9.38e+06
assign (resid 571 and name   HN) (resid 572 and name   HA)  4.0  2.2  1.0 ! A.1256 at  1.85e+06
assign (resid 571 and name   HN) (resid 572 and name   HN)  3.0  1.2  0.5 ! A.1257 at  2.87e+07
assign (resid 571 and name  HG2) (resid 572 and name   HA)  4.0  2.2  1.0 ! A.1260 at -2.12e+06
assign (resid 571 and name  HB1) (resid 572 and name   HN)  4.0  2.2  1.0 ! A.1287 at  4.58e+06
assign (resid 571 and name  HB2) (resid 572 and name   HN)  4.0  2.2  1.0 ! A.1288 at  5.05e+06
assign (resid 571 and name   HA) (resid 573 and name   HN)  4.0  2.2  1.0 ! A.1228 at -4.62e+06
assign (resid 571 and name   HN) (resid 573 and name   HN)  3.0  1.2  0.5 ! A.1258 at  5.96e+06
assign (resid 571 and name  HB2) (resid 573 and name   HN)  4.0  2.2  2.0 ! A.1320 at  1.05e+06
assign (resid 571 and name   HA) (resid 581 and name  HG1)  4.0  2.2  1.0 ! A.1633 at -3.08e+06
assign (resid 571 and name   HA) (resid 581 and name  HG2)  4.0  2.2  1.0 ! A.1634 at -3.84e+06
assign (resid 571 and name  HB2) (resid 581 and name HE21)  4.0  2.2  2.0 ! A.1666 at  1.04e+06
assign (resid 571 and name  HB2) (resid 581 and name HE22)  4.0  2.2  2.0 ! A.1667 at  1.66e+06
assign (resid 571 and name   HN) (resid 581 and name HE22)  4.0  2.2  2.0 ! A.1668 at  1.57e+06

! H572
assign (resid 572 and name  HB1) (resid 572 and name   HN)  3.0  1.2  0.5 ! A.1278 at -5.88e+06
assign (resid 572 and name  HB2) (resid 572 and name   HN)  4.0  2.2  1.0 ! A.1279 at -4.71e+06
assign (resid 572 and name   HA) (resid 573 and name   HN)  3.0  1.2  0.5 ! A.1322 at  1.36e+07
assign (resid 572 and name  HB1) (resid 573 and name   HN)  3.0  1.2  0.9 ! A.1323 at  5.84e+06
assign (resid 572 and name   HN) (resid 573 and name   HA)  4.0  2.2  1.0 ! A.1295 at  3.78e+06
assign (resid 572 and name   HN) (resid 573 and name  HB1)  3.0  1.2  1.0 ! A.1296 at  5.92e+06
assign (resid 572 and name   HN) (resid 573 and name   HN)  2.5  0.7  0.4 ! A.1297 at  6.88e+07
assign (resid 572 and name   HN) (resid 573 and name  HB2)  4.0  2.2  1.0 ! A.1306 at -2.14e+06
assign (resid 572 and name   HN) (resid 574 and name   HN)  4.0  2.2  2.0 ! A.1298 at  8.60e+05
assign (resid 572 and name   HA) (resid 574 and name HG1#)  3.0  1.2  0.8 ! A.1338 at -1.42e+07
assign (resid 572 and name   HA) (resid 574 and name HG2#)  4.0  2.2  1.5 ! A.1351 at -4.78e+06
assign (resid 572 and name  HB1) (resid 574 and name HG2#)  4.0  2.2  2.5 ! A.1352 at -1.66e+06
assign (resid 572 and name   HA) (resid 574 and name   HN)  4.0  2.2  1.0 ! A.1368 at  2.11e+06
assign (resid 572 and name  HB1) (resid 574 and name   HN)  4.0  2.2  1.0 ! A.1369 at  1.83e+06
assign (resid 572 and name  HB2) (resid 574 and name   HN)  4.0  2.2  1.5 ! A.1370 at  2.09e+06

! F573
assign (resid 573 and name  HB1) (resid 573 and name   HN)  4.0  2.2  1.0 ! A.1311 at -5.59e+06
assign (resid 573 and name  HB2) (resid 573 and name   HN)  3.0  1.2  0.5 ! A.1312 at -6.11e+06
assign (resid 573 and name   HA) (resid 574 and name   HN)  2.5  0.7  0.4 ! A.1371 at  1.03e+08
assign (resid 573 and name  HB1) (resid 574 and name   HN)  3.0  1.2  1.3 ! A.1372 at  7.09e+06
assign (resid 573 and name  HB2) (resid 574 and name   HN)  3.0  1.2  1.3 ! A.1373 at  1.22e+07
assign (resid 573 and name   HN) (resid 574 and name   HA)  4.0  2.2  1.0 ! A.1328 at  2.96e+06
assign (resid 573 and name   HN) (resid 574 and name   HN)  3.0  1.2  1.0 ! A.1329 at  1.05e+07
assign (resid 573 and name   HA) (resid 574 and name HG1#)  4.0  2.2  1.5 ! A.1339 at -3.96e+06
assign (resid 573 and name   HN) (resid 574 and name HG1#)  3.0  1.2  1.0 ! A.1340 at -1.03e+07
assign (resid 573 and name   HA) (resid 574 and name HG2#)  3.0  1.2  0.8 ! A.1353 at -6.37e+06
assign (resid 573 and name   HN) (resid 574 and name HG2#)  4.0  2.2  2.5 ! A.1354 at -1.40e+06
assign (resid 573 and name   HA) (resid 582 and name HD2#)  4.0  2.2  1.5 ! A.1302 at -1.98e+06
assign (resid 573 and name  HB1) (resid 582 and name   HN)  4.0  2.2  1.0 ! A.1315 at -2.26e+06

! V574
assign (resid 574 and name   HB) (resid 574 and name   HN)  4.0  2.2  1.0 ! A.1331 at -2.55e+06
assign (resid 574 and name HG1#) (resid 574 and name   HA)  3.0  1.2  0.8 ! A.1341 at -3.27e+07
assign (resid 574 and name HG1#) (resid 574 and name   HN)  3.0  1.2  1.0 ! A.1343 at -1.44e+07
assign (resid 574 and name HG2#) (resid 574 and name   HA)  3.0  1.2  0.8 ! A.1355 at -1.20e+07
assign (resid 574 and name HG2#) (resid 574 and name   HN)  3.0  1.2  1.0 ! A.1357 at -4.28e+07
assign (resid 574 and name   HB) (resid 575 and name  HB1)  4.0  2.2  1.0 ! A.1332 at -2.47e+06
assign (resid 574 and name   HB) (resid 575 and name  HB2)  4.0  2.2  1.0 ! A.1333 at -2.57e+06
assign (resid 574 and name   HB) (resid 575 and name   HN)  3.0  1.2  0.5 ! A.1334 at -1.02e+07
assign (resid 574 and name HG1#) (resid 575 and name   HN)  3.0  1.2  1.0 ! A.1344 at -7.98e+06
assign (resid 574 and name HG2#) (resid 575 and name  HB1)  4.0  2.2  1.5 ! A.1358 at -2.32e+06
assign (resid 574 and name HG2#) (resid 575 and name  HB2)  4.0  2.2  1.5 ! A.1359 at -1.99e+06
assign (resid 574 and name HG2#) (resid 575 and name   HN)  3.0  1.2  1.0 ! A.1360 at -7.23e+06
assign (resid 574 and name   HN) (resid 575 and name   HN)  4.0  2.2  1.0 ! A.1377 at  5.19e+06
assign (resid 574 and name   HA) (resid 575 and name   HN)  2.5  0.7  0.4 ! A.1420 at  6.44e+07
assign (resid 574 and name HG2#) (resid 576 and name   HA)  3.0  1.2  0.8 ! A.1361 at -7.84e+06
assign (resid 574 and name HG2#) (resid 577 and name   HN)  4.0  2.2  1.5 ! A.1489 at  2.09e+06
assign (resid 574 and name   HB) (resid 579 and name   HA)  3.0  1.2  0.3 ! A.1335 at -1.51e+07
assign (resid 574 and name HG1#) (resid 579 and name   HN)  4.0  2.2  1.5 ! A.1345 at -2.43e+06
assign (resid 574 and name HG2#) (resid 579 and name   HA)  3.0  1.2  0.8 ! A.1362 at -3.04e+07
assign (resid 574 and name HG2#) (resid 579 and name  HB1)  3.0  1.2  0.8 ! A.1363 at -9.16e+06
assign (resid 574 and name HG2#) (resid 579 and name  HB2)  4.0  2.2  1.5 ! A.1364 at -4.00e+06
assign (resid 574 and name HG2#) (resid 579 and name   HN)  3.0  1.2  1.0 ! A.1365 at -8.66e+06
assign (resid 574 and name HG2#) (resid 579 and name   HG)  4.0  2.2  1.5 ! A.1561 at -2.54e+06
assign (resid 574 and name HG2#) (resid 580 and name   HN)  4.0  2.2  1.5 ! A.1366 at -2.97e+06
assign (resid 574 and name HG1#) (resid 580 and name   HA)  3.0  1.2  0.8 ! A.1576 at -6.75e+06
assign (resid 574 and name HG1#) (resid 580 and name   HN)  3.0  1.2  1.5 ! A.1602 at  1.23e+07
assign (resid 574 and name   HB) (resid 581 and name   HA)  4.0  2.2  1.0 ! A.1336 at -2.02e+06
assign (resid 574 and name HG1#) (resid 581 and name   HA)  2.5  0.7  0.7 ! A.1619 at -4.94e+07
assign (resid 574 and name HG1#) (resid 581 and name  HG2)  3.0  1.2  0.8 ! A.1347 at -1.24e+07
assign (resid 574 and name HG1#) (resid 581 and name   HN)  3.0  1.2  1.0 ! A.1348 at -7.04e+06
assign (resid 574 and name   HN) (resid 581 and name   HA)  4.0  2.2  1.0 ! A.1378 at  2.73e+06
assign (resid 574 and name   HA) (resid 581 and name   HA)  3.0  1.2  0.3 ! A.1618 at -9.66e+06
assign (resid 574 and name HG1#) (resid 581 and name  HB2)  4.0  2.2  1.5 ! A.1626 at -4.40e+06
assign (resid 574 and name   HA) (resid 581 and name  HG1)  4.0  2.2  1.5 ! A.1635 at -2.77e+06
assign (resid 574 and name HG1#) (resid 581 and name  HG1)  3.0  1.2  0.8 ! A.1637 at -1.33e+07
assign (resid 574 and name   HA) (resid 581 and name  HG2)  4.0  2.2  1.0 ! A.1636 at -3.08e+06
assign (resid 574 and name HG1#) (resid 581 and name HE21)  4.0  2.2  1.5 ! A.1669 at  3.26e+06
assign (resid 574 and name HG1#) (resid 581 and name HE22)  4.0  2.2  1.5 ! A.1670 at  3.47e+06
assign (resid 574 and name   HB) (resid 582 and name HD2#)  4.0  2.2  2.5 ! A.1337 at -1.59e+06
assign (resid 574 and name HG1#) (resid 582 and name HD2#)  4.0  2.2  2.0 ! A.1349 at -3.36e+06
assign (resid 574 and name HG1#) (resid 582 and name   HN)  3.0  1.2  1.0 ! A.1350 at -1.80e+07
assign (resid 574 and name HG2#) (resid 582 and name HD2#)  4.0  2.2  2.0 ! A.1367 at -4.03e+06
assign (resid 574 and name   HN) (resid 582 and name  HB1)  4.0  2.2  1.0 ! A.1379 at  3.30e+06
assign (resid 574 and name   HN) (resid 582 and name HD2#)  3.0  1.2  1.7 ! A.1380 at  9.29e+06
assign (resid 574 and name   HA) (resid 582 and name HD1#)  4.0  2.2  1.5 ! A.1699 at -4.98e+06
assign (resid 574 and name   HA) (resid 582 and name HD2#)  3.0  1.2  0.8 ! A.1718 at -6.87e+06
assign (resid 574 and name   HA) (resid 582 and name   HG)  3.0  1.2  1.6 ! A.1739 at -6.73e+06
assign (resid 574 and name   HA) (resid 582 and name   HN)  3.0  1.2  0.5 ! A.1744 at  3.08e+07
assign (resid 574 and name   HN) (resid 582 and name   HN)  4.0  2.2  1.0 ! A.1745 at  3.15e+06
assign (resid 574 and name   HN) (resid 594 and name  HG1)  4.0  2.2  1.0 ! A.1381 at  4.38e+06

! C575
assign (resid 575 and name  HB1) (resid 575 and name   HN)  3.0  1.2  0.5 ! A.1398 at -1.19e+07
assign (resid 575 and name  HB2) (resid 575 and name   HN)  3.0  1.2  0.5 ! A.1399 at -1.19e+07
assign (resid 575 and name   HA) (resid 576 and name   HN)  2.5  0.7  0.4 ! A.1385 at -4.66e+07
assign (resid 575 and name   HN) (resid 576 and name   HN)  4.0  2.2  1.0 ! A.1425 at  3.71e+06
assign (resid 575 and name   HA) (resid 576 and name  HB#)  4.0  2.2  1.5 ! A.1446 at -2.90e+06
assign (resid 575 and name  HB1) (resid 576 and name   HN)  4.0  2.2  1.0 ! A.1461 at  4.56e+06
assign (resid 575 and name  HB2) (resid 576 and name   HN)  3.0  1.2  1.4 ! A.1462 at  1.09e+07
assign (resid 575 and name   HA) (resid 577 and name   HN)  3.0  1.2  1.7 ! A.1490 at  1.01e+07
assign (resid 575 and name  HB1) (resid 577 and name   HN)  4.0  2.2  2.0 ! A.1400 at -1.24e+06
assign (resid 575 and name  HB2) (resid 577 and name   HN)  4.0  2.2  2.0 ! A.1401 at -1.18e+06
assign (resid 575 and name   HN) (resid 577 and name   HN)  4.0  2.2  2.0 ! A.1426 at  1.08e+06
assign (resid 575 and name   HA) (resid 578 and name   HN)  4.0  2.2  1.0 ! A.1518 at  4.33e+06
assign (resid 575 and name   HA) (resid 579 and name   HN)  4.0  2.2  1.5 ! A.1387 at -2.13e+06
assign (resid 575 and name  HB1) (resid 579 and name   HA)  4.0  2.2  1.0 ! A.1402 at -3.77e+06
assign (resid 575 and name  HB1) (resid 579 and name   HN)  3.0  1.2  0.5 ! A.1404 at -7.31e+06
assign (resid 575 and name  HB2) (resid 579 and name   HA)  4.0  2.2  1.0 ! A.1403 at -3.07e+06
assign (resid 575 and name  HB2) (resid 579 and name   HN)  4.0  2.2  1.4 ! A.1405 at -4.47e+06
assign (resid 575 and name   HN) (resid 579 and name   HA)  3.0  1.2  0.5 ! A.1427 at  7.92e+06
assign (resid 575 and name   HN) (resid 579 and name   HN)  3.0  1.2  1.8 ! A.1428 at  5.92e+06
assign (resid 575 and name  HB1) (resid 580 and name  HB1)  4.0  2.2  1.0 ! A.1406 at -2.48e+06
assign (resid 575 and name  HB1) (resid 580 and name  HD1)  4.0  2.2  1.0 ! A.1407 at -2.12e+06
assign (resid 575 and name  HB1) (resid 580 and name  HG2)  4.0  2.2  1.0 ! A.1409 at -4.22e+06
assign (resid 575 and name  HB1) (resid 580 and name   HN)  3.0  1.2  0.5 ! A.1411 at -1.08e+07
assign (resid 575 and name  HB2) (resid 580 and name  HD1)  4.0  2.2  1.0 ! A.1408 at -2.27e+06
assign (resid 575 and name  HB2) (resid 580 and name  HG2)  4.0  2.2  1.0 ! A.1410 at -3.50e+06
assign (resid 575 and name  HB2) (resid 580 and name   HN)  3.0  1.2  0.9 ! A.1412 at -7.64e+06
assign (resid 575 and name   HN) (resid 580 and name  HB1)  4.0  2.2  1.4 ! A.1429 at  6.59e+06
assign (resid 575 and name   HN) (resid 580 and name  HD1)  4.0  2.2  1.0 ! A.1430 at  3.72e+06
assign (resid 575 and name   HN) (resid 580 and name   HN)  4.0  2.2  1.0 ! A.1431 at -2.68e+06
assign (resid 575 and name   HA) (resid 580 and name   HN)  4.0  2.2  1.4 ! A.1603 at  4.19e+06
assign (resid 575 and name   HN) (resid 581 and name   HA)  3.0  1.2  0.9 ! A.1432 at  8.08e+06
assign (resid 575 and name   HA) (resid 582 and name HD1#)  3.0  1.2  0.8 ! A.1388 at -9.50e+06
assign (resid 575 and name   HA) (resid 582 and name HD2#)  3.0  1.2  0.8 ! A.1389 at -1.81e+07
assign (resid 575 and name  HB1) (resid 582 and name HD1#)  3.0  1.2  0.8 ! A.1701 at -8.87e+06
assign (resid 575 and name  HB1) (resid 582 and name HD2#)  4.0  2.2  1.5 ! A.1414 at -2.90e+06
assign (resid 575 and name  HB2) (resid 582 and name HD2#)  4.0  2.2  1.5 ! A.1415 at -3.69e+06
assign (resid 575 and name   HN) (resid 582 and name  HB2)  4.0  2.2  1.0 ! A.1433 at  4.44e+06
assign (resid 575 and name   HN) (resid 582 and name HD2#)  3.0  1.2  1.0 ! A.1434 at  1.08e+07
assign (resid 575 and name  HB2) (resid 582 and name HD1#)  3.0  1.2  0.8 ! A.1702 at -1.59e+07
assign (resid 575 and name   HN) (resid 582 and name HD1#)  3.0  1.2  1.0 ! A.1703 at -7.66e+06
assign (resid 575 and name   HN) (resid 582 and name   HG)  4.0  2.2  1.0 ! A.1740 at -3.91e+06
assign (resid 575 and name   HA) (resid 594 and name  HB2)  3.0  1.2  0.3 ! A.1390 at -1.16e+07
assign (resid 575 and name   HA) (resid 594 and name  HG1)  4.0  2.2  1.0 ! A.1391 at -3.32e+06
assign (resid 575 and name   HA) (resid 595 and name   HA)  3.0  1.2  0.3 ! A.1392 at -1.89e+07
assign (resid 575 and name  HB1) (resid 595 and name   HA)  4.0  2.2  2.0 ! A.1416 at -1.34e+06
assign (resid 575 and name  HB2) (resid 595 and name   HA)  4.0  2.2  1.0 ! A.1417 at -3.07e+06
assign (resid 575 and name   HN) (resid 595 and name   HA)  4.0  2.2  2.0 ! A.1435 at  1.68e+06
assign (resid 575 and name   HA) (resid 595 and name   HN)  4.0  2.2  1.0 ! A.2254 at  3.41e+06
assign (resid 575 and name   HA) (resid 596 and name   HN)  3.0  1.2  0.5 ! A.1393 at -7.89e+06
assign (resid 575 and name  HB1) (resid 596 and name   HN)  4.0  2.2  1.0 ! A.1418 at -3.65e+06
assign (resid 575 and name  HB2) (resid 596 and name   HN)  3.0  1.2  0.5 ! A.1419 at -6.16e+06
assign (resid 575 and name   HN) (resid 596 and name   HN)  4.0  2.2  1.0 ! A.1436 at  2.40e+06
assign (resid 575 and name  HB2) (resid 596 and name  HB1)  4.0  2.2  1.0 ! A.2279 at -2.22e+06

! A576
assign (resid 576 and name  HB#) (resid 576 and name   HN)  2.5  0.7  0.9 ! A.1448 at -5.14e+07
assign (resid 576 and name   HA) (resid 577 and name   HA)  4.0  2.2  1.0 ! A.1439 at -2.35e+06
assign (resid 576 and name   HA) (resid 577 and name  HB2)  4.0  2.2  1.0 ! A.1440 at -2.06e+06
assign (resid 576 and name   HA) (resid 577 and name   HN)  3.0  1.2  0.5 ! A.1441 at -7.32e+06
assign (resid 576 and name  HB#) (resid 577 and name  HB2)  3.0  1.2  1.4 ! A.1449 at -1.51e+07
assign (resid 576 and name  HB#) (resid 577 and name   HN)  3.0  1.2  1.0 ! A.1450 at -1.07e+07
assign (resid 576 and name   HN) (resid 577 and name  HB2)  4.0  2.2  1.0 ! A.1466 at  2.77e+06
assign (resid 576 and name   HN) (resid 577 and name   HN)  3.0  1.2  0.5 ! A.1467 at  1.63e+07
assign (resid 576 and name  HB#) (resid 578 and name   HN)  4.0  2.2  1.5 ! A.1519 at  3.48e+06
assign (resid 576 and name   HA) (resid 579 and name   HN)  4.0  2.2  1.0 ! A.1442 at -2.43e+06
assign (resid 576 and name   HN) (resid 579 and name   HN)  4.0  2.2  1.5 ! A.1468 at  2.10e+06
assign (resid 576 and name   HA) (resid 579 and name HD1#)  3.0  1.2  0.8 ! A.1547 at -1.06e+07
assign (resid 576 and name   HA) (resid 582 and name HD2#)  4.0  2.2  2.5 ! A.1443 at -1.78e+06
assign (resid 576 and name  HB#) (resid 582 and name HD2#)  4.0  2.2  2.0 ! A.1451 at -2.73e+06
assign (resid 576 and name   HN) (resid 582 and name  HB1)  4.0  2.2  1.7 ! A.1469 at  2.06e+06
assign (resid 576 and name   HN) (resid 582 and name HD1#)  4.0  2.2  1.5 ! A.1470 at  4.60e+06
assign (resid 576 and name   HN) (resid 582 and name HD2#)  3.0  1.2  1.0 ! A.1471 at  1.02e+07
assign (resid 576 and name  HB#) (resid 593 and name  HB1)  3.0  1.2  0.8 ! A.1452 at -1.64e+07
assign (resid 576 and name  HB#) (resid 593 and name   HN)  4.0  2.2  1.5 ! A.1453 at -2.11e+06
assign (resid 576 and name   HN) (resid 593 and name  HB1)  4.0  2.2  2.0 ! A.1472 at  1.74e+06
assign (resid 576 and name  HB#) (resid 593 and name  HB2)  3.0  1.2  0.8 ! A.2129 at -8.09e+06
assign (resid 576 and name  HB#) (resid 593 and name  HD1)  3.0  1.2  0.8 ! A.2139 at -1.68e+07
assign (resid 576 and name   HA) (resid 594 and name  HB1)  4.0  2.2  2.5 ! A.1444 at -2.26e+06
assign (resid 576 and name   HA) (resid 594 and name  HG2)  4.0  2.2  1.0 ! A.1445 at -2.55e+06
assign (resid 576 and name  HB#) (resid 594 and name  HD2)  3.0  1.2  0.8 ! A.1454 at -1.30e+07
assign (resid 576 and name  HB#) (resid 594 and name  HG1)  4.0  2.2  1.5 ! A.1455 at -3.78e+06
assign (resid 576 and name  HB#) (resid 594 and name  HG2)  3.0  1.2  0.8 ! A.1456 at -2.07e+07
assign (resid 576 and name   HN) (resid 594 and name  HB1)  4.0  2.2  1.0 ! A.1473 at  3.64e+06
assign (resid 576 and name   HN) (resid 594 and name  HG1)  3.0  1.2  0.5 ! A.1474 at  7.40e+06
assign (resid 576 and name   HN) (resid 594 and name  HG2)  3.0  1.2  0.5 ! A.1475 at  8.55e+06
assign (resid 576 and name   HN) (resid 594 and name  HD1)  4.0  2.2  2.0 ! A.2187 at -1.63e+06
assign (resid 576 and name  HB#) (resid 595 and name   HA)  4.0  2.2  1.5 ! A.1457 at -4.31e+06
assign (resid 576 and name   HN) (resid 595 and name   HA)  3.0  1.2  0.5 ! A.1476 at  2.76e+07
assign (resid 576 and name  HB#) (resid 596 and name   HN)  4.0  2.2  2.5 ! A.1458 at -1.32e+06
assign (resid 576 and name   HN) (resid 596 and name   HN)  3.0  1.2  1.8 ! A.1477 at  6.08e+06
assign (resid 576 and name  HB#) (resid 603 and name HD1#)  4.0  2.2  2.0 ! A.1459 at -3.05e+06

! F577
assign (resid 577 and name  HB1) (resid 577 and name   HN)  3.0  1.2  0.5 ! A.1484 at -8.88e+06
assign (resid 577 and name  HB2) (resid 577 and name   HN)  3.0  1.2  0.5 ! A.1485 at -1.15e+07
assign (resid 577 and name  HB1) (resid 578 and name   HN)  3.0  1.2  0.5 ! A.1486 at -1.04e+07
assign (resid 577 and name  HB2) (resid 578 and name   HN)  3.0  1.2  0.5 ! A.1487 at -8.54e+06
assign (resid 577 and name   HN) (resid 578 and name   HA)  4.0  2.2  1.0 ! A.1497 at  2.28e+06
assign (resid 577 and name   HN) (resid 578 and name   HN)  2.5  0.7  0.4 ! A.1498 at  6.43e+07
assign (resid 577 and name  HB1) (resid 578 and name  HB1)  4.0  2.2  2.0 ! A.1504 at -1.30e+06
assign (resid 577 and name  HB1) (resid 578 and name  HB2)  4.0  2.2  1.0 ! A.1505 at -2.54e+06
assign (resid 577 and name   HA) (resid 578 and name   HN)  3.0  1.2  0.5 ! A.1520 at  1.33e+07
assign (resid 577 and name   HN) (resid 579 and name   HN)  3.0  1.2  0.5 ! A.1499 at  1.58e+07
assign (resid 577 and name   HN) (resid 579 and name HD1#)  4.0  2.2  1.5 ! A.1548 at -3.66e+06
assign (resid 577 and name   HA) (resid 579 and name   HN)  4.0  2.2  1.0 ! A.1567 at  2.58e+06
assign (resid 577 and name   HN) (resid 582 and name HD2#)  4.0  2.2  2.5 ! A.1500 at  1.38e+06
assign (resid 577 and name   HN) (resid 595 and name   HA)  3.0  1.2  1.6 ! A.1501 at  6.27e+06
assign (resid 577 and name  HB1) (resid 599 and name  HB2)  4.0  2.2  1.0 ! A.1488 at -1.96e+06
assign (resid 577 and name  HB1) (resid 599 and name  HB1)  4.0  2.2  1.0 ! A.2413 at -5.19e+06
assign (resid 577 and name  HB1) (resid 603 and name HD2#)  3.0  1.2  0.8 ! A.2618 at -7.37e+06
assign (resid 577 and name  HB2) (resid 603 and name HD2#)  3.0  1.2  0.8 ! A.2619 at -1.10e+07
assign (resid 577 and name   HN) (resid 603 and name HD2#)  4.0  2.2  2.3 ! A.2620 at -4.18e+06

! C578
assign (resid 578 and name  HB1) (resid 578 and name   HN)  3.0  1.2  0.5 ! A.1510 at -8.48e+06
assign (resid 578 and name  HB2) (resid 578 and name   HN)  3.0  1.2  0.9 ! A.1511 at -9.26e+06
assign (resid 578 and name  HB1) (resid 579 and name HD1#)  4.0  2.2  2.5 ! A.1512 at -1.54e+06
assign (resid 578 and name  HB1) (resid 579 and name   HN)  4.0  2.2  1.0 ! A.1513 at -2.77e+06
assign (resid 578 and name  HB2) (resid 579 and name   HN)  4.0  2.2  1.0 ! A.1514 at -2.72e+06
assign (resid 578 and name   HN) (resid 579 and name HD1#)  3.0  1.2  1.0 ! A.1527 at  1.01e+07
assign (resid 578 and name   HN) (resid 579 and name   HG)  4.0  2.2  1.0 ! A.1528 at  4.20e+06
assign (resid 578 and name   HN) (resid 579 and name   HN)  2.5  0.7  0.4 ! A.1529 at  5.24e+07
assign (resid 578 and name   HN) (resid 579 and name   HA)  4.0  2.2  1.0 ! A.1533 at -5.24e+06
assign (resid 578 and name   HA) (resid 579 and name   HG)  4.0  2.2  1.0 ! A.1562 at -3.01e+06
assign (resid 578 and name   HA) (resid 579 and name   HN)  3.0  1.2  0.5 ! A.1569 at  1.44e+07
assign (resid 578 and name  HB1) (resid 580 and name  HD1)  4.0  2.2  2.0 ! A.1515 at -1.46e+06
assign (resid 578 and name  HB1) (resid 580 and name  HG2)  4.0  2.2  1.6 ! A.1516 at -2.77e+06
assign (resid 578 and name  HB2) (resid 580 and name   HN)  4.0  2.2  2.0 ! A.1517 at -1.46e+06
assign (resid 578 and name   HN) (resid 580 and name  HG2)  4.0  2.2  1.0 ! A.1530 at  3.31e+06
assign (resid 578 and name   HN) (resid 580 and name   HN)  3.0  1.2  1.1 ! A.1604 at  6.74e+06
assign (resid 578 and name   HN) (resid 595 and name   HA)  4.0  2.2  1.0 ! A.1532 at  1.87e+06

! L579
assign (resid 579 and name   HA) (resid 579 and name   HG)  3.0  1.2  0.3 ! A.1534 at -7.32e+06
assign (resid 579 and name  HB1) (resid 579 and name   HN)  4.0  2.2  1.0 ! A.1543 at -4.54e+06
assign (resid 579 and name  HB2) (resid 579 and name   HN)  4.0  2.2  1.0 ! A.1544 at -3.40e+06
assign (resid 579 and name HD1#) (resid 579 and name   HA)  2.5  0.7  1.1 ! A.1550 at -6.06e+07
assign (resid 579 and name HD1#) (resid 579 and name  HB1)  3.0  1.2  0.8 ! A.1551 at -2.66e+07
assign (resid 579 and name HD1#) (resid 579 and name  HB2)  3.0  1.2  0.8 ! A.1552 at -3.38e+07
assign (resid 579 and name HD1#) (resid 579 and name   HN)  3.0  1.2  1.0 ! A.1554 at -3.33e+07
assign (resid 579 and name HD2#) (resid 579 and name   HA)  3.0  1.2  0.8 ! A.1556 at -1.32e+07
assign (resid 579 and name HD2#) (resid 579 and name  HB1)  2.5  0.7  0.7 ! A.1557 at -5.01e+07
assign (resid 579 and name HD2#) (resid 579 and name  HB2)  2.5  0.7  0.7 ! A.1558 at -4.49e+07
assign (resid 579 and name HD2#) (resid 579 and name   HN)  4.0  2.2  1.5 ! A.1560 at -5.69e+06
assign (resid 579 and name   HG) (resid 579 and name   HN)  3.0  1.2  0.5 ! A.1565 at -8.25e+06
assign (resid 579 and name   HA) (resid 580 and name   HN)  3.0  1.2  0.5 ! A.1536 at -1.27e+07
assign (resid 579 and name  HB1) (resid 580 and name   HN)  4.0  2.2  2.0 ! A.1545 at -1.23e+06
assign (resid 579 and name  HB2) (resid 580 and name   HN)  4.0  2.2  1.0 ! A.1546 at -2.28e+06
assign (resid 579 and name HD1#) (resid 580 and name   HN)  3.0  1.2  1.0 ! A.1606 at  1.00e+07
assign (resid 579 and name   HN) (resid 580 and name   HN)  3.0  1.2  0.5 ! A.1575 at  1.52e+07
assign (resid 579 and name   HG) (resid 580 and name   HN)  4.0  2.2  1.0 ! A.1607 at  3.00e+06

! K580
assign (resid 580 and name   HA) (resid 580 and name  HD1)  4.0  2.2  1.0 ! A.1578 at -4.84e+07
assign (resid 580 and name   HA) (resid 580 and name  HG2)  3.0  1.2  0.7 ! A.1579 at -2.69e+07
assign (resid 580 and name  HB1) (resid 580 and name  HD1)  2.5  0.7  0.6 ! A.1583 at -7.62e+07
assign (resid 580 and name  HB1) (resid 580 and name  HE1)  3.0  1.2  1.4 ! A.1584 at -8.12e+06
assign (resid 580 and name  HB1) (resid 580 and name   HN)  3.0  1.2  0.5 ! A.1586 at -2.56e+07
assign (resid 580 and name  HD1) (resid 580 and name   HN)  4.0  2.2  1.0 ! A.1591 at -4.69e+06
assign (resid 580 and name  HE1) (resid 580 and name  HG2)  2.5  0.7  0.6 ! A.1594 at -9.29e+07
assign (resid 580 and name  HG1) (resid 580 and name  HE1)  3.0  1.2  0.3 ! A.1598 at -3.60e+07
assign (resid 580 and name  HG2) (resid 580 and name   HN)  3.0  1.2  0.5 ! A.1600 at -1.19e+07
assign (resid 580 and name   HN) (resid 580 and name  HE1)  4.0  2.2  1.0 ! A.1612 at  3.69e+06
assign (resid 580 and name   HN) (resid 580 and name  HG1)  2.5  0.7  0.9 ! A.1613 at  5.56e+07
assign (resid 580 and name   HA) (resid 581 and name   HN)  2.5  0.7  1.0 ! A.1581 at -1.18e+08
assign (resid 580 and name  HB1) (resid 581 and name   HN)  3.0  1.2  0.5 ! A.1587 at -1.04e+07
assign (resid 580 and name  HD1) (resid 581 and name   HN)  3.0  1.2  0.9 ! A.1654 at  3.64e+07 !! relaxed
assign (resid 580 and name  HE1) (resid 581 and name   HN)  4.0  2.2  1.0 ! A.1655 at  2.80e+06
assign (resid 580 and name  HG2) (resid 581 and name   HN)  3.0  1.2  0.5 ! A.1656 at  3.31e+07
assign (resid 580 and name   HN) (resid 581 and name   HN)  3.0  1.2  0.5 ! A.1657 at  9.97e+06
assign (resid 580 and name  HD1) (resid 582 and name HD1#)  3.0  1.2  1.4 ! A.1592 at -9.79e+06
assign (resid 580 and name  HE1) (resid 582 and name HD1#)  3.0  1.2  0.8 ! A.1595 at -1.89e+07
assign (resid 580 and name  HG2) (resid 582 and name HD1#)  4.0  2.2  1.5 ! A.1601 at -3.25e+06
assign (resid 580 and name   HN) (resid 582 and name HD1#)  4.0  2.2  1.5 ! A.1615 at  2.47e+06
assign (resid 580 and name   HN) (resid 582 and name HD2#)  4.0  2.2  2.4 ! A.1616 at  1.98e+06
assign (resid 580 and name  HG1) (resid 582 and name HD1#)  3.0  1.2  1.2 ! A.1705 at -7.89e+06
assign (resid 580 and name  HG1) (resid 582 and name   HN)  4.0  2.2  1.4 ! A.1746 at  6.06e+06
assign (resid 580 and name   HN) (resid 596 and name   HN)  4.0  2.2  2.5 ! A.1617 at  1.48e+06
assign (resid 580 and name  HD1) (resid 596 and name  HB1)  4.0  2.2  1.0 ! A.2280 at -4.25e+06
assign (resid 580 and name  HG2) (resid 596 and name  HB1)  4.0  2.2  2.0 ! A.2282 at -1.46e+06
assign (resid 580 and name  HD1) (resid 596 and name  HB2)  4.0  2.2  1.0 ! A.2281 at -4.38e+06
assign (resid 580 and name  HD1) (resid 596 and name   HN)  4.0  2.2  1.4 ! A.2305 at  3.50e+06
assign (resid 580 and name  HG2) (resid 596 and name   HN)  4.0  2.2  1.7 ! A.2306 at  3.22e+06

! Q581
assign (resid 581 and name  HB1) (resid 581 and name   HN)  3.0  1.2  0.5 ! A.1629 at -3.31e+07
assign (resid 581 and name  HB2) (resid 581 and name   HN)  3.0  1.2  0.5 ! A.1630 at -2.80e+07
assign (resid 581 and name  HG1) (resid 581 and name   HA)  3.0  1.2  0.3 ! A.1639 at -1.29e+07
assign (resid 581 and name  HG1) (resid 581 and name HE21)  3.0  1.2  0.3 ! A.1643 at -1.80e+07
assign (resid 581 and name  HG1) (resid 581 and name HE22)  3.0  1.2  1.1 ! A.1645 at -7.85e+06
assign (resid 581 and name  HG1) (resid 581 and name   HN)  4.0  2.2  1.1 ! A.1647 at -7.93e+06
assign (resid 581 and name  HG2) (resid 581 and name   HA)  3.0  1.2  0.3 ! A.1640 at -1.46e+07
assign (resid 581 and name  HG2) (resid 581 and name HE21)  3.0  1.2  0.3 ! A.1644 at -1.14e+07
assign (resid 581 and name  HG2) (resid 581 and name HE22)  3.0  1.2  0.3 ! A.1646 at -8.69e+06
assign (resid 581 and name  HG2) (resid 581 and name   HN)  3.0  1.2  1.5 ! A.1648 at -7.78e+06
assign (resid 581 and name HE21) (resid 581 and name  HB1)  3.0  1.2  0.3 ! A.1671 at  9.72e+06
assign (resid 581 and name HE21) (resid 581 and name  HB2)  3.0  1.2  0.7 ! A.1673 at  9.72e+06
assign (resid 581 and name HE22) (resid 581 and name  HB1)  3.0  1.2  0.3 ! A.1672 at  9.00e+06
assign (resid 581 and name HE22) (resid 581 and name  HB2)  3.0  1.2  1.8 ! A.1674 at  9.00e+06
assign (resid 581 and name   HN) (resid 581 and name HE21)  4.0  2.2  2.0 ! A.1661 at  1.78e+06
assign (resid 581 and name   HA) (resid 582 and name  HB2)  4.0  2.2  1.0 ! A.1623 at -4.07e+06
assign (resid 581 and name   HA) (resid 582 and name   HG)  4.0  2.2  2.3 ! A.1624 at -6.60e+06
assign (resid 581 and name   HA) (resid 582 and name   HN)  2.5  0.7  0.4 ! A.1625 at -6.11e+07
assign (resid 581 and name  HB1) (resid 582 and name   HN)  3.0  1.2  0.5 ! A.1631 at -5.76e+06
assign (resid 581 and name  HB2) (resid 582 and name   HN)  4.0  2.2  1.0 ! A.1632 at -3.59e+06
assign (resid 581 and name  HG1) (resid 582 and name   HN)  3.0  1.2  0.9 ! A.1650 at -9.35e+06
assign (resid 581 and name  HG2) (resid 582 and name  HB2)  4.0  2.2  1.0 ! A.1649 at -2.58e+06
assign (resid 581 and name  HG2) (resid 582 and name   HN)  3.0  1.2  0.5 ! A.1651 at -8.44e+06
assign (resid 581 and name HE21) (resid 582 and name  HB1)  4.0  2.2  1.0 ! A.1679 at  2.89e+06
assign (resid 581 and name HE21) (resid 582 and name   HN)  4.0  2.2  1.0 ! A.1681 at  4.17e+06
assign (resid 581 and name HE22) (resid 582 and name  HB1)  4.0  2.2  2.0 ! A.1680 at  1.42e+06
assign (resid 581 and name HE22) (resid 582 and name   HN)  4.0  2.2  1.0 ! A.1682 at  2.10e+06
assign (resid 581 and name   HN) (resid 582 and name HD2#)  4.0  2.2  2.5 ! A.1664 at  1.39e+06
assign (resid 581 and name   HN) (resid 582 and name   HG)  4.0  2.2  2.4 ! A.1665 at  1.96e+06 !! relaxed
assign (resid 581 and name   HA) (resid 582 and name   HA)  4.0  2.2  1.0 ! A.1685 at -2.75e+06
assign (resid 581 and name  HB1) (resid 582 and name   HA)  4.0  2.2  1.0 ! A.1686 at -4.14e+06
assign (resid 581 and name  HG2) (resid 582 and name   HA)  4.0  2.2  1.0 ! A.1687 at -2.35e+06
assign (resid 581 and name   HN) (resid 582 and name   HN)  4.0  2.2  1.0 ! A.1750 at  3.52e+06
assign (resid 581 and name HE21) (resid 583 and name  HB1)  4.0  2.2  2.0 ! A.1683 at  1.75e+06
assign (resid 581 and name HE22) (resid 583 and name  HB1)  4.0  2.2  1.0 ! A.1684 at  2.28e+06

! L582
assign (resid 582 and name   HA) (resid 582 and name HD1#)  2.5  0.7  0.7 ! A.1690 at -4.37e+07
assign (resid 582 and name   HA) (resid 582 and name HD2#)  3.0  1.2  0.8 ! A.1691 at -8.42e+06
assign (resid 582 and name   HA) (resid 582 and name   HG)  3.0  1.2  0.3 ! A.1692 at -8.87e+06
assign (resid 582 and name  HB1) (resid 582 and name HD2#)  3.0  1.2  0.8 ! A.1695 at -8.33e+06
assign (resid 582 and name  HB1) (resid 582 and name   HN)  4.0  2.2  1.0 ! A.1697 at -3.18e+06
assign (resid 582 and name  HB2) (resid 582 and name HD2#)  3.0  1.2  0.8 ! A.1696 at -6.57e+06
assign (resid 582 and name  HB2) (resid 582 and name   HN)  4.0  2.2  1.0 ! A.1698 at -3.26e+06
assign (resid 582 and name HD1#) (resid 582 and name   HN)  3.0  1.2  1.0 ! A.1708 at -1.39e+07
assign (resid 582 and name HD2#) (resid 582 and name   HN)  3.0  1.2  1.8 ! A.1729 at -8.53e+06
assign (resid 582 and name   HG) (resid 582 and name   HN)  3.0  1.2  1.5 ! A.1742 at -6.01e+06
assign (resid 582 and name HD1#) (resid 583 and name   HA)  4.0  2.2  1.5 ! A.1757 at -4.30e+06
assign (resid 582 and name   HG) (resid 583 and name   HA)  4.0  2.2  1.0 ! A.1758 at -4.05e+06
assign (resid 582 and name   HA) (resid 583 and name  HB1)  4.0  2.2  1.0 ! A.1763 at -2.58e+06
assign (resid 582 and name   HA) (resid 583 and name   HN)  2.5  0.7  0.4 ! A.1773 at  4.71e+07
assign (resid 582 and name  HB1) (resid 583 and name   HN)  3.0  1.2  0.5 ! A.1774 at  1.94e+07
assign (resid 582 and name HD1#) (resid 583 and name   HN)  3.0  1.2  1.0 ! A.1775 at  2.16e+07
assign (resid 582 and name HD2#) (resid 583 and name   HN)  3.0  1.2  1.0 ! A.1776 at  6.46e+06
assign (resid 582 and name   HG) (resid 583 and name   HN)  3.0  1.2  0.5 ! A.1777 at  7.96e+06
assign (resid 582 and name HD1#) (resid 586 and name   HN)  4.0  2.2  1.5 ! A.1849 at  2.61e+06
assign (resid 582 and name HD2#) (resid 586 and name   HN)  4.0  2.2  2.5 ! A.1850 at  1.08e+06
assign (resid 582 and name HD1#) (resid 587 and name   HA)  3.0  1.2  0.8 ! A.1709 at -6.92e+06
assign (resid 582 and name HD1#) (resid 587 and name  HB1)  3.0  1.2  0.8 ! A.1710 at -1.06e+07
assign (resid 582 and name HD2#) (resid 587 and name   HA)  3.0  1.2  0.8 ! A.1865 at -7.40e+06
assign (resid 582 and name HD2#) (resid 587 and name  HB2)  3.0  1.2  0.8 ! A.1731 at -1.42e+07
assign (resid 582 and name HD2#) (resid 587 and name  HB1)  3.0  1.2  0.8 ! A.1873 at -6.83e+06
assign (resid 582 and name HD1#) (resid 587 and name   HN)  4.0  2.2  1.1 ! A.1881 at  8.16e+06 !! relaxed
assign (resid 582 and name HD2#) (resid 587 and name   HN)  4.0  2.2  1.5 ! A.1882 at  5.18e+06
assign (resid 582 and name HD1#) (resid 588 and name   HN)  3.0  1.2  1.0 ! A.1711 at -6.77e+06
assign (resid 582 and name HD2#) (resid 588 and name   HN)  3.0  1.2  1.0 ! A.1959 at  5.87e+06
assign (resid 582 and name HD2#) (resid 594 and name  HG1)  3.0  1.2  0.8 ! A.1733 at -6.42e+06
assign (resid 582 and name HD2#) (resid 594 and name   HA)  4.0  2.2  1.5 ! A.2158 at -5.47e+06
assign (resid 582 and name HD2#) (resid 594 and name  HB1)  4.0  2.2  1.5 ! A.2172 at -5.18e+06
assign (resid 582 and name HD2#) (resid 594 and name  HB2)  3.0  1.2  0.8 ! A.2173 at -1.43e+07
assign (resid 582 and name HD2#) (resid 594 and name  HD1)  4.0  2.2  2.5 ! A.2188 at -1.33e+06
assign (resid 582 and name HD2#) (resid 594 and name  HD2)  4.0  2.2  2.5 ! A.2189 at -1.34e+06
assign (resid 582 and name HD2#) (resid 594 and name  HG2)  4.0  2.2  1.5 ! A.2205 at -4.33e+06
assign (resid 582 and name HD1#) (resid 595 and name   HA)  4.0  2.2  1.5 ! A.1712 at -3.49e+06
assign (resid 582 and name HD2#) (resid 595 and name   HA)  4.0  2.2  1.5 ! A.1734 at -5.01e+06
assign (resid 582 and name HD2#) (resid 595 and name   HN)  3.0  1.2  1.0 ! A.2256 at  6.63e+06
assign (resid 582 and name HD1#) (resid 595 and name   HN)  4.0  2.2  1.5 ! A.2255 at  3.24e+06
assign (resid 582 and name HD1#) (resid 596 and name   HA)  3.0  1.2  0.8 ! A.1713 at -2.43e+07
assign (resid 582 and name HD1#) (resid 596 and name  HB1)  3.0  1.2  0.8 ! A.1714 at -1.79e+07
assign (resid 582 and name HD1#) (resid 596 and name  HB2)  3.0  1.2  0.8 ! A.1715 at -2.32e+07
assign (resid 582 and name HD1#) (resid 596 and name   HN)  3.0  1.2  1.0 ! A.1716 at -9.41e+06
assign (resid 582 and name HD2#) (resid 596 and name   HA)  3.0  1.2  0.8 ! A.1736 at -6.25e+06
assign (resid 582 and name HD2#) (resid 596 and name  HB1)  4.0  2.2  1.5 ! A.1737 at -1.83e+06
assign (resid 582 and name HD2#) (resid 596 and name   HN)  3.0  1.2  1.0 ! A.2308 at  8.46e+06
assign (resid 582 and name   HG) (resid 596 and name  HB1)  4.0  2.2  2.0 ! A.2287 at -1.33e+06
assign (resid 582 and name HD2#) (resid 596 and name  HB2)  4.0  2.2  1.5 ! A.2286 at -2.16e+06
assign (resid 582 and name   HG) (resid 596 and name  HB2)  4.0  2.2  2.0 ! A.2288 at -1.61e+06
assign (resid 582 and name HD1#) (resid 597 and name   HN)  3.0  1.2  1.0 ! A.1717 at -8.49e+06
assign (resid 582 and name HD2#) (resid 597 and name   HN)  4.0  2.2  1.5 ! A.2344 at  1.83e+06

! N583
assign (resid 583 and name  HB1) (resid 583 and name HD21)  4.0  2.2  1.0 ! A.1767 at -2.86e+06
assign (resid 583 and name  HB1) (resid 583 and name   HN)  3.0  1.2  0.5 ! A.1769 at -1.09e+07
assign (resid 583 and name  HB2) (resid 583 and name HD21)  4.0  2.2  1.0 ! A.1768 at -4.03e+06
assign (resid 583 and name  HB2) (resid 583 and name   HN)  3.0  1.2  0.5 ! A.1770 at -9.77e+06
assign (resid 583 and name HD22) (resid 583 and name  HB2)  4.0  2.2  1.0 ! A.1782 at  4.01e+06
assign (resid 583 and name   HA) (resid 584 and name   HN)  3.0  1.2  0.5 ! A.1762 at -1.43e+07
assign (resid 583 and name  HB1) (resid 584 and name   HN)  4.0  2.2  1.0 ! A.1771 at -2.21e+06
assign (resid 583 and name  HB2) (resid 584 and name   HN)  4.0  2.2  1.0 ! A.1772 at -2.96e+06
assign (resid 583 and name   HA) (resid 584 and name   HA)  4.0  2.2  1.0 ! A.1786 at -2.75e+06
assign (resid 583 and name   HN) (resid 584 and name   HN)  4.0  2.2  2.0 ! A.1810 at  1.43e+06
assign (resid 583 and name  HB1) (resid 585 and name   HN)  4.0  2.2  1.0 ! A.1827 at  2.63e+06
assign (resid 583 and name  HB2) (resid 585 and name   HN)  4.0  2.2  2.0 ! A.1828 at  9.60e+05
assign (resid 583 and name HD22) (resid 586 and name HG2#)  4.0  2.2  1.5 ! A.1842 at -2.65e+06
assign (resid 583 and name   HN) (resid 586 and name   HN)  4.0  2.2  1.0 ! A.1851 at  2.78e+06

! K584
assign (resid 584 and name   HA) (resid 584 and name  HD1)  4.0  2.2  1.0 ! A.1788 at -5.15e+06
assign (resid 584 and name   HA) (resid 584 and name  HG1)  3.0  1.2  0.3 ! A.1789 at -2.72e+07
assign (resid 584 and name  HB1) (resid 584 and name  HE1)  3.0  1.2  0.3 ! A.1795 at -6.84e+06
assign (resid 584 and name  HB1) (resid 584 and name   HN)  4.0  2.2  1.0 ! A.1797 at -5.04e+06
assign (resid 584 and name  HD1) (resid 584 and name   HN)  4.0  2.2  2.0 ! A.1799 at -1.59e+06
assign (resid 584 and name  HG1) (resid 584 and name   HN)  4.0  2.2  2.0 ! A.1804 at -1.35e+06
assign (resid 584 and name   HA) (resid 585 and name   HN)  3.0  1.2  0.5 ! A.1790 at -5.91e+06
assign (resid 584 and name  HB1) (resid 585 and name   HN)  3.0  1.2  0.5 ! A.1829 at  8.90e+06
assign (resid 584 and name  HD1) (resid 585 and name   HN)  4.0  2.2  1.0 ! A.1800 at -2.41e+06
assign (resid 584 and name  HG1) (resid 585 and name   HN)  3.0  1.2  0.5 ! A.1830 at  7.76e+06
assign (resid 584 and name  HB1) (resid 585 and name  HA1)  4.0  2.2  1.0 ! A.1814 at -3.76e+06
assign (resid 584 and name  HD1) (resid 585 and name  HA1)  4.0  2.2  2.0 ! A.1816 at -1.45e+06
assign (resid 584 and name  HG1) (resid 585 and name  HA1)  4.0  2.2  1.0 ! A.1817 at -4.92e+06
assign (resid 584 and name  HB1) (resid 585 and name  HA2)  4.0  2.2  1.0 ! A.1815 at -1.96e+06
assign (resid 584 and name  HG1) (resid 585 and name  HA2)  4.0  2.2  1.0 ! A.1818 at -3.61e+06
assign (resid 584 and name   HA) (resid 586 and name   HN)  4.0  2.2  1.0 ! A.1791 at -3.44e+06
assign (resid 584 and name  HB1) (resid 586 and name   HN)  4.0  2.2  1.0 ! A.1852 at  4.05e+06
assign (resid 584 and name  HG1) (resid 586 and name   HN)  4.0  2.2  1.0 ! A.1853 at  2.39e+06
assign (resid 584 and name  HB1) (resid 587 and name   HN)  4.0  2.2  1.6 ! A.1883 at  3.30e+06
assign (resid 584 and name  HD1) (resid 587 and name   HN)  4.0  2.2  2.0 ! A.1884 at  1.77e+06
assign (resid 584 and name  HG1) (resid 587 and name   HN)  4.0  2.2  1.0 ! A.1885 at  2.07e+06

! G585
assign (resid 585 and name  HA1) (resid 586 and name HG2#)  3.0  1.2  0.8 ! A.1823 at -6.52e+06
assign (resid 585 and name  HA1) (resid 586 and name   HN)  3.0  1.2  0.5 ! A.1825 at -7.99e+06
assign (resid 585 and name  HA2) (resid 586 and name HG2#)  3.0  1.2  0.8 ! A.1824 at -6.64e+06
assign (resid 585 and name  HA2) (resid 586 and name   HN)  3.0  1.2  0.5 ! A.1826 at -7.04e+06
assign (resid 585 and name   HN) (resid 586 and name   HN)  3.0  1.2  0.5 ! A.1833 at  8.12e+06
assign (resid 585 and name   HN) (resid 586 and name HG2#)  4.0  2.2  1.5 ! A.1844 at -2.35e+06
assign (resid 585 and name   HN) (resid 587 and name   HN)  4.0  2.2  1.0 ! A.1834 at  3.74e+06
assign (resid 585 and name  HA1) (resid 587 and name   HN)  3.0  1.2  1.9 ! A.1886 at  1.83e+07
assign (resid 585 and name  HA2) (resid 587 and name   HN)  4.0  2.2  1.0 ! A.1887 at  3.73e+06

! T586
assign (resid 586 and name   HA) (resid 586 and name HG2#)  3.0  1.2  0.8 ! A.1836 at -2.77e+07
assign (resid 586 and name   HB) (resid 586 and name   HN)  4.0  2.2  1.0 ! A.1839 at -4.83e+06
assign (resid 586 and name HG2#) (resid 586 and name   HN)  3.0  1.2  1.0 ! A.1847 at -2.19e+07
assign (resid 586 and name   HB) (resid 587 and name   HN)  3.0  1.2  1.2 ! A.1890 at  6.68e+06
assign (resid 586 and name HG2#) (resid 587 and name   HN)  4.0  2.2  1.5 ! A.1848 at -3.91e+06
assign (resid 586 and name   HN) (resid 587 and name   HA)  4.0  2.2  1.0 ! A.1860 at  3.21e+06
assign (resid 586 and name   HN) (resid 587 and name  HB1)  3.0  1.2  1.7 ! A.1861 at  9.67e+06
assign (resid 586 and name   HN) (resid 587 and name  HB2)  4.0  2.2  1.1 ! A.1862 at  7.14e+06
assign (resid 586 and name   HN) (resid 587 and name   HN)  2.5  0.7  0.4 ! A.1863 at  4.42e+07
assign (resid 586 and name   HA) (resid 587 and name   HN)  3.0  1.2  0.5 ! A.1889 at  4.23e+07
assign (resid 586 and name   HB) (resid 597 and name  HG1)  3.0  1.2  1.8 ! A.1841 at -6.77e+06
assign (resid 586 and name   HB) (resid 597 and name  HB1)  4.0  2.2  1.0 ! A.2329 at -5.27e+06

! F587
assign (resid 587 and name  HB1) (resid 587 and name   HN)  4.0  2.2  1.0 ! A.1877 at -4.69e+06
assign (resid 587 and name  HB2) (resid 587 and name   HN)  3.0  1.2  0.5 ! A.1878 at -6.03e+06
assign (resid 587 and name   HA) (resid 588 and name  HG1)  4.0  2.2  1.0 ! A.1869 at -3.45e+06
assign (resid 587 and name   HA) (resid 588 and name  HG2)  4.0  2.2  1.0 ! A.1870 at -4.61e+06
assign (resid 587 and name   HA) (resid 588 and name   HN)  2.5  0.7  0.4 ! A.1960 at  6.31e+07
assign (resid 587 and name  HB1) (resid 588 and name   HN)  2.5  0.7  0.9 ! A.1961 at  4.96e+07
assign (resid 587 and name  HB2) (resid 588 and name   HN)  3.0  1.2  0.5 ! A.1880 at -6.54e+06
assign (resid 587 and name   HN) (resid 588 and name   HN)  3.0  1.2  1.4 ! A.1895 at  1.07e+07
assign (resid 587 and name  HB1) (resid 588 and name   HA)  4.0  2.2  1.5 ! A.1897 at -2.76e+06
assign (resid 587 and name  HB1) (resid 594 and name   HA)  4.0  2.2  1.5 ! A.2159 at -2.89e+06
assign (resid 587 and name  HB1) (resid 594 and name  HB2)  4.0  2.2  1.4 ! A.2174 at -2.44e+06
assign (resid 587 and name   HA) (resid 597 and name  HG1)  4.0  2.2  2.0 ! A.1872 at -1.71e+06
!assign (resid 587 and name   HN) (resid 597 and name  HG1)  4.0  2.2  2.0 ! A.1896 at  1.55e+06
assign (resid 587 and name   HA) (resid 597 and name   HN)  4.0  2.2  1.0 ! A.2345 at  2.77e+06

! K588
assign (resid 588 and name   HA) (resid 588 and name  HE1)  4.0  2.2  1.0 ! A.1900 at -4.07e+06
assign (resid 588 and name  HB1) (resid 588 and name  HE1)  4.0  2.2  1.0 ! A.1908 at -3.08e+06
assign (resid 588 and name  HB1) (resid 588 and name   HN)  3.0  1.2  0.5 ! A.1910 at -6.58e+06
assign (resid 588 and name  HB2) (resid 588 and name  HE1)  4.0  2.2  1.0 ! A.1909 at -2.74e+06
assign (resid 588 and name  HB2) (resid 588 and name   HN)  4.0  2.2  1.0 ! A.1911 at -3.70e+06
assign (resid 588 and name  HD1) (resid 588 and name   HA)  3.0  1.2  0.7 ! A.1920 at -1.70e+07
assign (resid 588 and name  HD2) (resid 588 and name   HA)  3.0  1.2  0.8 ! A.1921 at -1.32e+07
assign (resid 588 and name  HE1) (resid 588 and name   HN)  4.0  2.2  2.0 ! A.1936 at -1.09e+06
assign (resid 588 and name  HE2) (resid 588 and name   HA)  4.0  2.2  1.0 ! A.1929 at -4.27e+06
assign (resid 588 and name  HE2) (resid 588 and name  HB1)  3.0  1.2  0.9 ! A.1931 at -1.56e+07
assign (resid 588 and name  HE2) (resid 588 and name  HB2)  3.0  1.2  1.3 ! A.1933 at -1.18e+07
assign (resid 588 and name  HE2) (resid 588 and name   HN)  4.0  2.2  2.0 ! A.1937 at -1.35e+06
assign (resid 588 and name  HG1) (resid 588 and name   HA)  3.0  1.2  0.7 ! A.1942 at -6.09e+06
assign (resid 588 and name  HG1) (resid 588 and name  HE1)  3.0  1.2  0.3 ! A.1945 at -6.14e+06
assign (resid 588 and name  HG1) (resid 588 and name   HN)  4.0  2.2  1.0 ! A.1949 at -5.01e+06
assign (resid 588 and name  HG2) (resid 588 and name   HA)  4.0  2.2  1.0 ! A.1943 at -4.70e+06
assign (resid 588 and name  HG2) (resid 588 and name  HE1)  4.0  2.2  1.0 ! A.1946 at -5.46e+06
assign (resid 588 and name  HG2) (resid 588 and name   HN)  4.0  2.2  1.0 ! A.1950 at -3.14e+06
assign (resid 588 and name   HA) (resid 589 and name  HB1)  3.0  1.2  0.9 ! A.1902 at -7.76e+06
assign (resid 588 and name   HA) (resid 589 and name   HN)  2.5  0.7  0.4 ! A.1903 at -7.05e+07
assign (resid 588 and name  HB1) (resid 589 and name   HN)  3.0  1.2  0.5 ! A.2003 at  2.22e+07
assign (resid 588 and name  HB2) (resid 589 and name   HN)  2.5  0.7  1.0 ! A.2004 at  4.32e+07
assign (resid 588 and name  HD1) (resid 589 and name   HN)  4.0  2.2  1.0 ! A.1925 at -3.84e+06
assign (resid 588 and name  HD2) (resid 589 and name   HN)  4.0  2.2  1.0 ! A.1926 at -2.37e+06
assign (resid 588 and name  HE1) (resid 589 and name   HN)  4.0  2.2  1.4 ! A.1938 at -3.65e+06
assign (resid 588 and name  HE2) (resid 589 and name   HN)  4.0  2.2  1.0 ! A.1939 at -2.23e+06
assign (resid 588 and name  HG1) (resid 589 and name   HN)  4.0  2.2  1.0 ! A.1951 at -2.45e+06
assign (resid 588 and name  HG2) (resid 589 and name   HN)  4.0  2.2  2.0 ! A.1952 at -1.49e+06
assign (resid 588 and name   HN) (resid 589 and name   HN)  3.0  1.2  1.3 ! A.1970 at  6.94e+06
assign (resid 588 and name   HA) (resid 589 and name   HA)  4.0  2.2  1.0 ! A.1977 at -3.69e+06
assign (resid 588 and name  HB1) (resid 589 and name   HA)  4.0  2.2  1.0 ! A.1978 at -4.35e+06
assign (resid 588 and name  HB2) (resid 589 and name   HA)  4.0  2.2  1.0 ! A.1979 at -1.91e+06
assign (resid 588 and name  HB1) (resid 595 and name  HB2)  4.0  2.2  1.0 ! A.1914 at -4.27e+06
assign (resid 588 and name  HB1) (resid 595 and name   HN)  4.0  2.2  1.0 ! A.1915 at -1.96e+06
assign (resid 588 and name  HB2) (resid 595 and name   HN)  4.0  2.2  1.0 ! A.2258 at  3.68e+06
assign (resid 588 and name   HN) (resid 595 and name  HB2)  4.0  2.2  1.0 ! A.1971 at  5.23e+06
assign (resid 588 and name   HN) (resid 595 and name   HN)  3.0  1.2  0.5 ! A.1972 at  7.33e+06
assign (resid 588 and name  HB1) (resid 595 and name  HB1)  4.0  2.2  1.0 ! A.2232 at -2.26e+06
assign (resid 588 and name  HB2) (resid 595 and name  HB1)  4.0  2.2  2.0 ! A.2234 at -1.60e+06
assign (resid 588 and name   HN) (resid 595 and name  HB1)  4.0  2.2  1.0 ! A.2236 at -2.10e+06
assign (resid 588 and name  HB2) (resid 595 and name  HB2)  4.0  2.2  1.0 ! A.2235 at -2.39e+06
assign (resid 588 and name   HA) (resid 595 and name   HN)  4.0  2.2  1.0 ! A.2257 at  3.34e+06
assign (resid 588 and name   HN) (resid 596 and name   HA)  3.0  1.2  0.5 ! A.2274 at -6.88e+06
assign (resid 588 and name  HB1) (resid 597 and name   HA)  3.0  1.2  0.8 ! A.2316 at -7.61e+06
assign (resid 588 and name  HD1) (resid 597 and name   HA)  4.0  2.2  1.0 ! A.1927 at -2.19e+06
assign (resid 588 and name  HE1) (resid 597 and name   HA)  4.0  2.2  2.0 ! A.1940 at -1.29e+06
assign (resid 588 and name  HE2) (resid 597 and name   HA)  4.0  2.2  1.0 ! A.1941 at -1.81e+06
assign (resid 588 and name  HG1) (resid 597 and name   HA)  3.0  1.2  0.3 ! A.1953 at -6.31e+06
assign (resid 588 and name  HG2) (resid 597 and name   HA)  3.0  1.2  0.3 ! A.1954 at -5.88e+06
assign (resid 588 and name   HN) (resid 597 and name   HA)  4.0  2.2  1.0 ! A.1974 at  2.85e+06
assign (resid 588 and name   HN) (resid 597 and name  HB1)  4.0  2.2  1.0 ! A.1975 at  2.02e+06
assign (resid 588 and name   HN) (resid 597 and name   HN)  4.0  2.2  1.0 ! A.2346 at  2.89e+06
assign (resid 588 and name  HG1) (resid 597 and name  HB1)  4.0  2.2  1.0 ! A.2330 at -2.58e+06
assign (resid 588 and name  HG2) (resid 597 and name  HB1)  3.0  1.2  0.8 ! A.2331 at -5.95e+06
assign (resid 588 and name  HG1) (resid 597 and name  HG1)  4.0  2.2  1.0 ! A.2338 at -4.69e+06
assign (resid 588 and name  HD1) (resid 597 and name HE21)  4.0  2.2  1.0 ! A.2355 at  2.30e+06
assign (resid 588 and name  HD2) (resid 597 and name HE21)  3.0  1.2  0.3 ! A.2357 at  8.26e+06
assign (resid 588 and name  HD1) (resid 597 and name HE22)  4.0  2.2  1.0 ! A.2356 at  4.52e+06
assign (resid 588 and name  HB1) (resid 600 and name  HB2)  4.0  2.2  1.0 ! A.1918 at -5.02e+06
assign (resid 588 and name  HB2) (resid 600 and name  HB2)  4.0  2.2  1.0 ! A.1919 at -1.82e+06
assign (resid 588 and name  HG1) (resid 600 and name  HB2)  4.0  2.2  1.0 ! A.1956 at -3.65e+06
assign (resid 588 and name  HG2) (resid 600 and name  HB1)  4.0  2.2  1.0 ! A.1955 at -1.83e+06
assign (resid 588 and name  HG2) (resid 600 and name  HB2)  4.0  2.2  1.0 ! A.1957 at -2.26e+06
assign (resid 588 and name  HB1) (resid 600 and name   HN)  4.0  2.2  1.0 ! A.2465 at  2.51e+06
assign (resid 588 and name  HG1) (resid 600 and name   HN)  4.0  2.2  1.0 ! A.2466 at  4.69e+06
assign (resid 588 and name  HG1) (resid 601 and name   HN)  4.0  2.2  1.0 ! A.2520 at  2.05e+06

! E589
assign (resid 589 and name   HA) (resid 589 and name  HG1)  3.0  1.2  0.7 ! A.1981 at -1.76e+07
assign (resid 589 and name   HA) (resid 589 and name  HG2)  3.0  1.2  0.7 ! A.1982 at -1.76e+07
assign (resid 589 and name  HB1) (resid 589 and name   HN)  3.0  1.2  0.5 ! A.1991 at -1.55e+07
assign (resid 589 and name  HB2) (resid 589 and name   HN)  3.0  1.2  1.0 ! A.1992 at -1.52e+07
assign (resid 589 and name  HG1) (resid 589 and name   HN)  3.0  1.2  0.9 ! A.1995 at -8.94e+06
assign (resid 589 and name  HG2) (resid 589 and name   HN)  3.0  1.2  0.5 ! A.1996 at -1.08e+07
assign (resid 589 and name   HA) (resid 590 and name   HA)  4.0  2.2  1.0 ! A.1984 at -2.61e+06
assign (resid 589 and name   HA) (resid 590 and name   HN)  2.5  0.7  0.4 ! A.1985 at -5.77e+07
assign (resid 589 and name  HG1) (resid 590 and name   HN)  3.0  1.2  0.5 ! A.1997 at -9.90e+06
assign (resid 589 and name  HG2) (resid 590 and name   HN)  3.0  1.2  1.1 ! A.1998 at -8.56e+06
assign (resid 589 and name  HB2) (resid 590 and name   HN)  3.0  1.2  0.5 ! A.2031 at  3.14e+07
assign (resid 589 and name   HN) (resid 590 and name   HN)  3.0  1.2  1.3 ! A.2032 at  6.35e+06
assign (resid 589 and name  HG1) (resid 592 and name   HA)  4.0  2.2  1.0 ! A.1999 at -5.68e+06
assign (resid 589 and name   HA) (resid 592 and name   HN)  4.0  2.2  2.0 ! A.2116 at  1.76e+06
assign (resid 589 and name  HB2) (resid 592 and name   HN)  3.0  1.2  1.2 ! A.2117 at  1.17e+07
assign (resid 589 and name  HG1) (resid 592 and name   HN)  3.0  1.2  0.5 ! A.2118 at  1.37e+07
assign (resid 589 and name   HA) (resid 593 and name   HN)  3.0  1.2  0.9 ! A.2149 at  1.10e+07
assign (resid 589 and name  HG1) (resid 593 and name   HN)  4.0  2.2  1.0 ! A.2000 at -3.69e+06
assign (resid 589 and name  HG2) (resid 593 and name   HN)  4.0  2.2  1.0 ! A.2001 at -3.04e+06
assign (resid 589 and name   HA) (resid 594 and name   HA)  3.0  1.2  0.3 ! A.1987 at -1.52e+07
assign (resid 589 and name   HN) (resid 594 and name   HA)  4.0  2.2  1.0 ! A.2009 at  2.63e+06
assign (resid 589 and name  HB2) (resid 594 and name   HA)  3.0  1.2  0.3 ! A.2161 at -6.10e+06
assign (resid 589 and name   HA) (resid 595 and name  HB2)  4.0  2.2  2.0 ! A.1988 at -1.68e+06
assign (resid 589 and name   HA) (resid 595 and name   HN)  3.0  1.2  0.5 ! A.2260 at  1.10e+07
assign (resid 589 and name  HB2) (resid 595 and name   HN)  4.0  2.2  1.0 ! A.2261 at  4.74e+06
assign (resid 589 and name   HN) (resid 595 and name   HN)  4.0  2.2  1.0 ! A.2262 at  2.45e+06
assign (resid 589 and name   HN) (resid 600 and name  HB2)  4.0  2.2  1.0 ! A.2010 at  2.38e+06

! Q590
assign (resid 590 and name  HB1) (resid 590 and name   HN)  4.0  2.2  1.0 ! A.2020 at -2.47e+06
assign (resid 590 and name  HG1) (resid 590 and name   HA)  3.0  1.2  0.3 ! A.2022 at -6.46e+06
assign (resid 590 and name  HG1) (resid 590 and name   HN)  4.0  2.2  1.0 ! A.2028 at -3.36e+06
assign (resid 590 and name  HG2) (resid 590 and name   HA)  3.0  1.2  0.7 ! A.2023 at -6.75e+06
assign (resid 590 and name  HG2) (resid 590 and name   HN)  4.0  2.2  1.0 ! A.2029 at -3.15e+06
assign (resid 590 and name HE21) (resid 590 and name   HA)  3.0  1.2  0.3 ! A.2044 at  7.31e+06
assign (resid 590 and name HE21) (resid 590 and name  HB1)  3.0  1.2  0.3 ! A.2046 at  7.61e+06
assign (resid 590 and name HE21) (resid 590 and name  HB2)  3.0  1.2  0.3 ! A.2048 at  6.37e+06
assign (resid 590 and name HE21) (resid 590 and name  HG1)  3.0  1.2  0.3 ! A.2050 at  6.11e+06
assign (resid 590 and name HE22) (resid 590 and name   HA)  3.0  1.2  0.3 ! A.2045 at  6.08e+06
assign (resid 590 and name HE22) (resid 590 and name  HB1)  4.0  2.2  1.0 ! A.2047 at  5.59e+06
assign (resid 590 and name HE22) (resid 590 and name  HB2)  4.0  2.2  1.0 ! A.2049 at  4.83e+06
assign (resid 590 and name HE22) (resid 590 and name  HG2)  4.0  2.2  1.0 ! A.2051 at  4.51e+06
assign (resid 590 and name   HN) (resid 590 and name  HB2)  4.0  2.2  1.0 ! A.2035 at  4.58e+06
assign (resid 590 and name   HA) (resid 591 and name   HN)  3.0  1.2  0.5 ! A.2015 at -1.81e+07
assign (resid 590 and name  HB1) (resid 591 and name  HB2)  4.0  2.2  1.0 ! A.2021 at -3.02e+06
assign (resid 590 and name   HN) (resid 591 and name  HB1)  4.0  2.2  1.6 ! A.2038 at  4.37e+06
assign (resid 590 and name   HN) (resid 591 and name  HB2)  4.0  2.2  1.0 ! A.2039 at  2.34e+06
assign (resid 590 and name  HB1) (resid 591 and name   HA)  4.0  2.2  1.0 ! A.2056 at -3.11e+06
assign (resid 590 and name  HB2) (resid 591 and name   HA)  4.0  2.2  2.0 ! A.2057 at -2.01e+06
assign (resid 590 and name  HB2) (resid 591 and name  HB2)  4.0  2.2  2.0 ! A.2064 at -1.23e+06
assign (resid 590 and name  HG1) (resid 591 and name  HB2)  4.0  2.2  1.0 ! A.2065 at -3.02e+06
assign (resid 590 and name  HG2) (resid 591 and name  HB2)  4.0  2.2  1.0 ! A.2066 at -2.61e+06
assign (resid 590 and name  HB1) (resid 591 and name HD21)  4.0  2.2  1.0 ! A.2087 at  3.14e+06
assign (resid 590 and name  HB2) (resid 591 and name HD21)  4.0  2.2  1.0 ! A.2089 at  2.13e+06
assign (resid 590 and name  HG1) (resid 591 and name HD21)  4.0  2.2  2.0 ! A.2091 at  1.62e+06
assign (resid 590 and name  HB1) (resid 591 and name HD22)  4.0  2.2  1.0 ! A.2088 at  3.30e+06
assign (resid 590 and name  HB2) (resid 591 and name HD22)  4.0  2.2  2.0 ! A.2090 at  1.67e+06
assign (resid 590 and name  HG1) (resid 591 and name HD22)  4.0  2.2  2.0 ! A.2092 at  1.40e+06
assign (resid 590 and name  HB1) (resid 591 and name   HN)  4.0  2.2  1.0 ! A.2080 at  2.95e+06
assign (resid 590 and name  HB2) (resid 591 and name   HN)  4.0  2.2  1.0 ! A.2081 at  2.10e+06
assign (resid 590 and name  HG1) (resid 591 and name   HN)  4.0  2.2  1.0 ! A.2082 at  3.86e+06
assign (resid 590 and name   HN) (resid 593 and name   HA)  4.0  2.2  1.0 ! A.2040 at  1.91e+06
assign (resid 590 and name   HN) (resid 593 and name   HN)  3.0  1.2  0.5 ! A.2041 at  4.05e+07
assign (resid 590 and name   HN) (resid 594 and name   HA)  3.0  1.2  1.2 ! A.2042 at  8.30e+06
assign (resid 590 and name   HN) (resid 603 and name HD1#)  4.0  2.2  1.5 ! A.2043 at  2.12e+06
assign (resid 590 and name HE21) (resid 604 and name   HA)  4.0  2.2  1.0 ! A.2052 at  2.45e+06
assign (resid 590 and name HE21) (resid 604 and name  HB1)  4.0  2.2  1.0 ! A.2054 at  2.89e+06
assign (resid 590 and name HE22) (resid 604 and name   HA)  4.0  2.2  1.0 ! A.2053 at  2.71e+06
assign (resid 590 and name HE22) (resid 604 and name  HB1)  4.0  2.2  1.0 ! A.2055 at  2.72e+06

! N591
assign (resid 591 and name  HB1) (resid 591 and name HD21)  3.0  1.2  0.3 ! A.2071 at -8.67e+06
assign (resid 591 and name  HB1) (resid 591 and name HD22)  4.0  2.2  1.0 ! A.2073 at -3.55e+06
assign (resid 591 and name  HB2) (resid 591 and name HD21)  3.0  1.2  0.3 ! A.2072 at -1.11e+07
assign (resid 591 and name  HB2) (resid 591 and name HD22)  3.0  1.2  0.3 ! A.2074 at -7.27e+06
assign (resid 591 and name  HB2) (resid 591 and name   HN)  4.0  2.2  1.0 ! A.2075 at -2.32e+06
assign (resid 591 and name HD21) (resid 591 and name   HA)  4.0  2.2  1.0 ! A.2093 at  4.18e+06
assign (resid 591 and name HD22) (resid 591 and name   HA)  4.0  2.2  1.0 ! A.2094 at  3.80e+06
assign (resid 591 and name   HN) (resid 591 and name  HB1)  4.0  2.2  1.0 ! A.2084 at  5.11e+06
assign (resid 591 and name   HA) (resid 592 and name   HN)  3.0  1.2  0.5 ! A.2061 at -3.71e+07
assign (resid 591 and name  HB1) (resid 592 and name   HN)  3.0  1.2  1.3 ! A.2076 at -6.67e+06
assign (resid 591 and name  HB2) (resid 592 and name   HN)  4.0  2.2  1.0 ! A.2077 at -5.68e+06
assign (resid 591 and name   HN) (resid 592 and name   HN)  3.0  1.2  0.5 ! A.2086 at  8.62e+06
assign (resid 591 and name   HA) (resid 593 and name   HN)  4.0  2.2  1.0 ! A.2062 at -4.06e+06
assign (resid 591 and name  HB2) (resid 593 and name  HG1)  4.0  2.2  2.0 ! A.2078 at -1.56e+06
assign (resid 591 and name  HB2) (resid 593 and name   HN)  4.0  2.2  1.0 ! A.2079 at -1.92e+06

! D592
assign (resid 592 and name  HB1) (resid 592 and name   HN)  3.0  1.2  1.0 ! A.2109 at -1.32e+07
assign (resid 592 and name  HB2) (resid 592 and name   HN)  3.0  1.2  0.5 ! A.2110 at -1.16e+07
assign (resid 592 and name   HA) (resid 593 and name   HN)  3.0  1.2  0.5 ! A.2104 at -2.11e+07
assign (resid 592 and name  HB1) (resid 593 and name  HB1)  3.0  1.2  1.3 ! A.2111 at -6.16e+06
assign (resid 592 and name  HB1) (resid 593 and name   HN)  3.0  1.2  1.1 ! A.2114 at -8.31e+06
assign (resid 592 and name  HB2) (resid 593 and name  HB1)  4.0  2.2  1.6 ! A.2112 at -2.70e+06
assign (resid 592 and name  HB2) (resid 593 and name  HG2)  4.0  2.2  1.0 ! A.2113 at -2.10e+06
assign (resid 592 and name  HB2) (resid 593 and name   HN)  4.0  2.2  1.0 ! A.2115 at -4.65e+06
assign (resid 592 and name   HN) (resid 593 and name  HG2)  4.0  2.2  1.0 ! A.2123 at  3.54e+06
assign (resid 592 and name   HN) (resid 593 and name   HN)  3.0  1.2  0.5 ! A.2124 at  4.16e+07
assign (resid 592 and name  HB1) (resid 593 and name  HG1)  4.0  2.2  1.0 ! A.2142 at -4.63e+06

! K593
assign (resid 593 and name  HB1) (resid 593 and name   HN)  3.0  1.2  0.5 ! A.2135 at -7.01e+06
assign (resid 593 and name  HB2) (resid 593 and name   HN)  4.0  2.2  1.0 ! A.2136 at -5.63e+06
assign (resid 593 and name  HD1) (resid 593 and name   HA)  3.0  1.2  1.4 ! A.2140 at -9.89e+06
assign (resid 593 and name  HD1) (resid 593 and name   HN)  4.0  2.2  1.0 ! A.2141 at -3.56e+06
assign (resid 593 and name  HG1) (resid 593 and name   HN)  4.0  2.2  2.0 ! A.2146 at -1.46e+06
assign (resid 593 and name  HG2) (resid 593 and name   HA)  3.0  1.2  0.3 ! A.2143 at -5.99e+06
assign (resid 593 and name  HG2) (resid 593 and name   HN)  4.0  2.2  1.0 ! A.2147 at -3.37e+06
assign (resid 593 and name   HA) (resid 594 and name  HD2)  2.5  0.7  0.2 ! A.2127 at -5.13e+07
assign (resid 593 and name  HB1) (resid 594 and name  HD1)  4.0  2.2  1.0 ! A.2137 at -4.18e+06
assign (resid 593 and name  HB2) (resid 594 and name  HD1)  4.0  2.2  1.0 ! A.2138 at -4.63e+06
assign (resid 593 and name  HG2) (resid 594 and name  HD2)  4.0  2.2  1.0 ! A.2148 at -4.34e+06
assign (resid 593 and name   HN) (resid 594 and name  HD1)  3.0  1.2  1.5 ! A.2156 at  8.54e+06
assign (resid 593 and name   HN) (resid 594 and name  HD2)  3.0  1.2  1.8 ! A.2157 at  1.68e+07
assign (resid 593 and name   HA) (resid 594 and name  HD1)  3.0  1.2  0.3 ! A.2190 at -1.47e+07
assign (resid 593 and name  HB1) (resid 594 and name  HD2)  3.0  1.2  0.3 ! A.2192 at -6.13e+06
assign (resid 593 and name   HA) (resid 594 and name  HG1)  4.0  2.2  1.0 ! A.2206 at -2.55e+06
assign (resid 593 and name   HA) (resid 594 and name  HG2)  3.0  1.2  1.2 ! A.2207 at -1.17e+07

! P594
assign (resid 594 and name   HA) (resid 594 and name  HD1)  4.0  2.2  1.0 ! A.2165 at -3.30e+06
assign (resid 594 and name   HA) (resid 594 and name  HG1)  3.0  1.2  1.0 ! A.2166 at -8.79e+06
assign (resid 594 and name   HA) (resid 594 and name  HG2)  3.0  1.2  0.9 ! A.2167 at -7.06e+06
assign (resid 594 and name  HB1) (resid 594 and name  HD1)  4.0  2.2  1.0 ! A.2179 at -5.27e+06
assign (resid 594 and name  HB1) (resid 594 and name  HD2)  4.0  2.2  1.0 ! A.2180 at -5.27e+06
assign (resid 594 and name  HB2) (resid 594 and name  HD2)  4.0  2.2  1.0 ! A.2181 at -2.42e+06
assign (resid 594 and name  HD1) (resid 594 and name  HB2)  3.0  1.2  0.9 ! A.2196 at -1.28e+07
assign (resid 594 and name   HA) (resid 595 and name   HA)  4.0  2.2  1.0 ! A.2168 at -1.98e+06
assign (resid 594 and name   HA) (resid 595 and name  HB1)  4.0  2.2  1.5 ! A.2169 at -2.30e+06
assign (resid 594 and name   HA) (resid 595 and name  HB2)  4.0  2.2  1.0 ! A.2170 at -2.80e+06
assign (resid 594 and name   HA) (resid 595 and name   HN)  2.5  0.7  0.4 ! A.2263 at  8.39e+07
assign (resid 594 and name  HB1) (resid 595 and name   HN)  3.0  1.2  0.5 ! A.2264 at  1.03e+07
assign (resid 594 and name  HB2) (resid 595 and name   HA)  3.0  1.2  0.8 ! A.2224 at -7.79e+06
assign (resid 594 and name  HB2) (resid 595 and name   HN)  3.0  1.2  0.5 ! A.2265 at  2.21e+07
assign (resid 594 and name  HB1) (resid 595 and name   HA)  4.0  2.2  1.0 ! A.2223 at -2.01e+06
assign (resid 594 and name  HG2) (resid 595 and name   HA)  4.0  2.2  1.0 ! A.2225 at -1.81e+06
assign (resid 594 and name  HG1) (resid 595 and name   HN)  4.0  2.2  1.0 ! A.2266 at  4.46e+06
assign (resid 594 and name  HG2) (resid 595 and name   HN)  4.0  2.2  1.0 ! A.2267 at  3.15e+06
assign (resid 594 and name  HB2) (resid 596 and name   HN)  3.0  1.2  1.9 ! A.2309 at  6.15e+06

! Y595
assign (resid 595 and name  HB1) (resid 595 and name   HN)  4.0  2.2  1.0 ! A.2244 at -4.05e+06
assign (resid 595 and name  HB2) (resid 595 and name   HN)  3.0  1.2  0.5 ! A.2245 at -7.85e+06
assign (resid 595 and name   HA) (resid 596 and name   HA)  4.0  2.2  1.0 ! A.2229 at -2.51e+06
assign (resid 595 and name   HA) (resid 596 and name   HN)  2.5  0.7  0.4 ! A.2310 at  7.74e+07
assign (resid 595 and name  HB1) (resid 596 and name   HN)  3.0  1.2  0.5 ! A.2246 at -6.71e+06
assign (resid 595 and name  HB2) (resid 596 and name   HN)  4.0  2.2  1.0 ! A.2247 at -4.13e+06
assign (resid 595 and name   HN) (resid 596 and name   HA)  4.0  2.2  2.0 ! A.2271 at  1.58e+06
assign (resid 595 and name   HN) (resid 596 and name   HN)  4.0  2.2  1.0 ! A.2272 at  3.17e+06
assign (resid 595 and name   HA) (resid 599 and name  HB1)  4.0  2.2  1.0 ! A.2231 at -4.25e+06
assign (resid 595 and name  HB1) (resid 599 and name  HB1)  4.0  2.2  1.0 ! A.2248 at -3.45e+06
assign (resid 595 and name  HB1) (resid 599 and name   HN)  4.0  2.2  1.0 ! A.2249 at -1.88e+06
assign (resid 595 and name   HA) (resid 599 and name   HN)  4.0  2.2  1.5 ! A.2427 at  2.17e+06
assign (resid 595 and name  HB1) (resid 600 and name   HA)  4.0  2.2  1.0 ! A.2250 at -2.18e+06
assign (resid 595 and name  HB1) (resid 600 and name   HN)  4.0  2.2  1.0 ! A.2252 at -4.67e+06
assign (resid 595 and name  HB2) (resid 600 and name   HA)  4.0  2.2  1.0 ! A.2251 at -2.46e+06
assign (resid 595 and name  HB2) (resid 600 and name   HN)  4.0  2.2  1.0 ! A.2253 at -1.94e+06
assign (resid 595 and name   HA) (resid 600 and name   HN)  4.0  2.2  1.0 ! A.2467 at  3.12e+06

! C596
assign (resid 596 and name  HB1) (resid 596 and name   HN)  4.0  2.2  1.0 ! A.2293 at -4.58e+06
assign (resid 596 and name  HB2) (resid 596 and name   HN)  3.0  1.2  0.5 ! A.2294 at -5.94e+06
assign (resid 596 and name   HA) (resid 597 and name  HB1)  3.0  1.2  1.0 ! A.2277 at -1.01e+07
assign (resid 596 and name   HA) (resid 597 and name   HN)  2.5  0.7  0.4 ! A.2347 at  6.15e+07
assign (resid 596 and name  HB1) (resid 597 and name  HB1)  4.0  2.2  1.0 ! A.2295 at -1.90e+06
assign (resid 596 and name  HB1) (resid 597 and name   HN)  3.0  1.2  0.5 ! A.2297 at -1.14e+07
assign (resid 596 and name  HB2) (resid 597 and name  HB1)  4.0  2.2  1.0 ! A.2296 at -2.14e+06
assign (resid 596 and name  HB2) (resid 597 and name   HN)  3.0  1.2  0.5 ! A.2298 at -7.78e+06
assign (resid 596 and name   HA) (resid 597 and name   HA)  4.0  2.2  1.0 ! A.2319 at -3.17e+06
assign (resid 596 and name   HN) (resid 597 and name   HN)  4.0  2.2  1.0 ! A.2350 at  4.59e+06
assign (resid 596 and name  HB1) (resid 598 and name   HN)  3.0  1.2  0.5 ! A.2384 at  1.91e+07
assign (resid 596 and name  HB2) (resid 598 and name   HN)  4.0  2.2  1.0 ! A.2300 at -3.21e+06
assign (resid 596 and name   HN) (resid 598 and name   HN)  4.0  2.2  1.0 ! A.2385 at  1.83e+06
assign (resid 596 and name  HB1) (resid 599 and name   HN)  3.0  1.2  0.5 ! A.2429 at  6.92e+06
assign (resid 596 and name  HB2) (resid 599 and name   HN)  4.0  2.2  2.0 ! A.2302 at -1.50e+06
assign (resid 596 and name   HN) (resid 599 and name  HB2)  3.0  1.2  0.5 ! A.2315 at  8.03e+06
assign (resid 596 and name   HN) (resid 599 and name  HB1)  4.0  2.2  1.0 ! A.2416 at -3.54e+06
assign (resid 596 and name   HA) (resid 599 and name   HN)  4.0  2.2  1.0 ! A.2428 at  2.14e+06
assign (resid 596 and name   HN) (resid 599 and name   HN)  4.0  2.2  1.0 ! A.2430 at  4.86e+06
assign (resid 596 and name   HN) (resid 600 and name   HN)  4.0  2.2  1.0 ! A.2468 at  4.63e+06

! Q597
assign (resid 597 and name   HA) (resid 597 and name HE22)  3.0  1.2  0.3 ! A.2321 at -5.72e+06
assign (resid 597 and name   HA) (resid 597 and name  HG1)  3.0  1.2  0.3 ! A.2322 at -2.59e+07
assign (resid 597 and name  HB1) (resid 597 and name   HN)  3.0  1.2  0.5 ! A.2336 at -2.89e+07
assign (resid 597 and name  HG1) (resid 597 and name   HN)  3.0  1.2  1.0 ! A.2341 at -1.27e+07
assign (resid 597 and name HE21) (resid 597 and name  HB1)  4.0  2.2  2.0 ! A.2358 at  1.31e+06
assign (resid 597 and name HE21) (resid 597 and name  HG1)  3.0  1.2  0.3 ! A.2360 at  1.57e+07
assign (resid 597 and name HE22) (resid 597 and name  HB1)  4.0  2.2  2.0 ! A.2359 at  1.14e+06
assign (resid 597 and name HE22) (resid 597 and name  HG1)  3.0  1.2  1.1 ! A.2361 at  1.06e+07
assign (resid 597 and name   HA) (resid 598 and name   HN)  3.0  1.2  0.5 ! A.2324 at -8.92e+06
assign (resid 597 and name  HB1) (resid 598 and name   HN)  2.5  0.7  0.4 ! A.2387 at  5.08e+07
assign (resid 597 and name  HG1) (resid 598 and name   HN)  3.0  1.2  0.5 ! A.2342 at -1.01e+07
assign (resid 597 and name   HN) (resid 598 and name   HN)  3.0  1.2  0.5 ! A.2354 at  1.89e+07
assign (resid 597 and name  HB1) (resid 598 and name   HA)  4.0  2.2  1.0 ! A.2364 at -3.86e+06
assign (resid 597 and name  HG1) (resid 598 and name   HA)  4.0  2.2  1.0 ! A.2365 at -4.82e+06
assign (resid 597 and name  HB1) (resid 598 and name  HB1)  4.0  2.2  1.0 ! A.2373 at -2.80e+06
assign (resid 597 and name  HB1) (resid 599 and name   HN)  4.0  2.2  1.0 ! A.2431 at  3.05e+06
assign (resid 597 and name   HA) (resid 600 and name  HB1)  3.0  1.2  0.3 ! A.2325 at -2.01e+07
assign (resid 597 and name   HA) (resid 600 and name  HB2)  3.0  1.2  0.3 ! A.2326 at -1.23e+07
assign (resid 597 and name   HA) (resid 600 and name   HN)  3.0  1.2  0.5 ! A.2469 at  3.17e+07
assign (resid 597 and name   HA) (resid 601 and name  HB1)  4.0  2.2  1.0 ! A.2327 at -4.02e+06
assign (resid 597 and name   HA) (resid 601 and name   HN)  4.0  2.2  1.0 ! A.2328 at -4.55e+06
assign (resid 597 and name HE21) (resid 601 and name  HB1)  4.0  2.2  1.0 ! A.2362 at  4.58e+06
assign (resid 597 and name HE22) (resid 601 and name  HB1)  4.0  2.2  1.0 ! A.2363 at  2.00e+06
assign (resid 597 and name  HG1) (resid 601 and name HD2#)  3.0  1.2  0.8 ! A.2503 at -1.60e+07
assign (resid 597 and name  HG1) (resid 601 and name   HG)  4.0  2.2  2.4 ! A.2514 at -2.73e+06
assign (resid 597 and name  HG1) (resid 601 and name   HN)  4.0  2.2  1.0 ! A.2521 at  3.16e+06

! N598
assign (resid 598 and name   HA) (resid 598 and name HD21)  3.0  1.2  0.3 ! A.2367 at -6.21e+06
assign (resid 598 and name  HB1) (resid 598 and name HD21)  4.0  2.2  1.0 ! A.2376 at -2.54e+06
assign (resid 598 and name  HB1) (resid 598 and name   HN)  3.0  1.2  0.5 ! A.2378 at -3.35e+07
assign (resid 598 and name  HB2) (resid 598 and name HD21)  4.0  2.2  1.0 ! A.2377 at -4.12e+06
assign (resid 598 and name  HB2) (resid 598 and name   HN)  3.0  1.2  0.5 ! A.2379 at -3.56e+07
assign (resid 598 and name HD22) (resid 598 and name  HB1)  4.0  2.2  1.0 ! A.2399 at  3.79e+06
assign (resid 598 and name HD22) (resid 598 and name  HB2)  4.0  2.2  1.0 ! A.2401 at  3.23e+06
assign (resid 598 and name   HN) (resid 598 and name HD22)  4.0  2.2  1.5 ! A.2393 at  2.99e+06
assign (resid 598 and name   HA) (resid 599 and name   HN)  3.0  1.2  0.5 ! A.2369 at -1.03e+07
assign (resid 598 and name  HB1) (resid 599 and name   HN)  3.0  1.2  0.5 ! A.2380 at -1.50e+07
assign (resid 598 and name  HB2) (resid 599 and name   HN)  3.0  1.2  0.9 ! A.2381 at -1.62e+07 !! relaxed
assign (resid 598 and name   HN) (resid 599 and name   HN)  2.5  0.7  0.4 ! A.2394 at  5.48e+07
assign (resid 598 and name   HA) (resid 600 and name   HN)  4.0  2.2  1.0 ! A.2470 at  5.24e+06
assign (resid 598 and name   HA) (resid 601 and name  HB1)  3.0  1.2  0.3 ! A.2370 at -2.23e+07
assign (resid 598 and name   HA) (resid 601 and name  HB2)  3.0  1.2  0.3 ! A.2371 at -1.03e+07
assign (resid 598 and name   HA) (resid 601 and name HD2#)  3.0  1.2  0.8 ! A.2372 at -2.79e+07
assign (resid 598 and name  HB1) (resid 601 and name HD2#)  4.0  2.2  1.5 ! A.2382 at -3.73e+06
assign (resid 598 and name  HB2) (resid 601 and name HD2#)  4.0  2.2  1.5 ! A.2383 at -5.68e+06
assign (resid 598 and name   HN) (resid 601 and name  HB1)  4.0  2.2  1.0 ! A.2395 at  3.53e+06
assign (resid 598 and name   HN) (resid 601 and name  HB2)  4.0  2.2  1.0 ! A.2396 at  3.56e+06
assign (resid 598 and name   HN) (resid 601 and name HD2#)  3.0  1.2  1.6 ! A.2397 at  5.96e+06
assign (resid 598 and name   HA) (resid 601 and name HD1#)  4.0  2.2  1.5 ! A.2494 at -4.65e+06
assign (resid 598 and name   HA) (resid 601 and name   HG)  4.0  2.2  1.0 ! A.2515 at -2.13e+06
assign (resid 598 and name   HA) (resid 601 and name   HN)  3.0  1.2  0.5 ! A.2522 at  1.60e+07
assign (resid 598 and name   HA) (resid 602 and name   HN)  3.0  1.2  1.3 ! A.2576 at  7.27e+06

! C599
assign (resid 599 and name  HB1) (resid 599 and name   HN)  3.0  1.2  0.5 ! A.2422 at -9.94e+06
assign (resid 599 and name  HB2) (resid 599 and name   HN)  3.0  1.2  0.5 ! A.2423 at -9.66e+06
assign (resid 599 and name   HA) (resid 600 and name   HN)  4.0  2.2  1.0 ! A.2407 at -4.18e+06
assign (resid 599 and name  HB1) (resid 600 and name   HN)  4.0  2.2  1.0 ! A.2424 at -5.20e+06
assign (resid 599 and name  HB2) (resid 600 and name   HN)  3.0  1.2  0.5 ! A.2425 at -5.96e+06
assign (resid 599 and name   HN) (resid 600 and name   HN)  3.0  1.2  0.5 ! A.2437 at  2.78e+07
assign (resid 599 and name   HN) (resid 600 and name   HA)  4.0  2.2  2.0 ! A.2447 at -1.43e+06
assign (resid 599 and name   HN) (resid 601 and name  HB1)  4.0  2.2  1.0 ! A.2438 at  2.84e+06
assign (resid 599 and name   HN) (resid 601 and name   HN)  4.0  2.2  1.0 ! A.2439 at  4.62e+06
assign (resid 599 and name   HN) (resid 601 and name HD2#)  4.0  2.2  1.5 ! A.2505 at -2.75e+06
assign (resid 599 and name   HA) (resid 602 and name  HB1)  3.0  1.2  0.3 ! A.2408 at -1.70e+07
assign (resid 599 and name   HA) (resid 602 and name  HB2)  3.0  1.2  0.3 ! A.2409 at -2.03e+07
assign (resid 599 and name   HA) (resid 602 and name  HG2)  3.0  1.2  0.7 ! A.2410 at -6.71e+06
assign (resid 599 and name   HA) (resid 602 and name   HN)  3.0  1.2  0.5 ! A.2411 at -1.36e+07
assign (resid 599 and name  HB1) (resid 602 and name  HB2)  4.0  2.2  1.0 ! A.2426 at -2.14e+06
assign (resid 599 and name   HN) (resid 602 and name  HB1)  4.0  2.2  1.4 ! A.2440 at  3.55e+06
assign (resid 599 and name   HN) (resid 602 and name  HB2)  4.0  2.2  1.0 ! A.2441 at  3.96e+06
assign (resid 599 and name   HN) (resid 602 and name   HN)  4.0  2.2  1.0 ! A.2442 at  5.08e+06
assign (resid 599 and name   HA) (resid 603 and name   HG)  3.0  1.2  0.3 ! A.2412 at -5.81e+06
assign (resid 599 and name   HN) (resid 603 and name HD2#)  4.0  2.2  1.5 ! A.2443 at  4.36e+06
assign (resid 599 and name   HN) (resid 603 and name   HG)  4.0  2.2  1.0 ! A.2444 at  3.24e+06
assign (resid 599 and name   HA) (resid 603 and name HD2#)  3.0  1.2  0.8 ! A.2621 at -6.94e+06
assign (resid 599 and name  HB1) (resid 603 and name HD2#)  4.0  2.2  1.5 ! A.2622 at -3.24e+06
assign (resid 599 and name  HB2) (resid 603 and name HD2#)  3.0  1.2  1.2 ! A.2623 at -9.66e+06

! F600
assign (resid 600 and name  HB1) (resid 600 and name   HN)  3.0  1.2  0.5 ! A.2460 at -7.30e+06
assign (resid 600 and name  HB2) (resid 600 and name   HN)  3.0  1.2  0.5 ! A.2461 at -9.72e+06
assign (resid 600 and name   HA) (resid 601 and name  HB1)  4.0  2.2  1.5 ! A.2451 at -2.09e+06
assign (resid 600 and name  HB1) (resid 601 and name  HB1)  4.0  2.2  1.0 ! A.2462 at -3.15e+06
assign (resid 600 and name  HB1) (resid 601 and name   HN)  3.0  1.2  0.5 ! A.2463 at -8.12e+06
assign (resid 600 and name  HB2) (resid 601 and name   HN)  3.0  1.2  0.5 ! A.2464 at -6.77e+06
assign (resid 600 and name   HN) (resid 601 and name  HB1)  3.0  1.2  1.6 ! A.2475 at  1.10e+07
assign (resid 600 and name   HN) (resid 601 and name   HN)  3.0  1.2  0.5 ! A.2476 at  2.96e+07
assign (resid 600 and name   HA) (resid 601 and name   HN)  3.0  1.2  0.5 ! A.2524 at  1.86e+07
assign (resid 600 and name   HN) (resid 602 and name   HN)  3.0  1.2  0.5 ! A.2578 at  6.42e+06
assign (resid 600 and name   HA) (resid 603 and name  HB1)  3.0  1.2  1.0 ! A.2452 at -6.30e+06
assign (resid 600 and name   HA) (resid 603 and name  HB2)  4.0  2.2  1.0 ! A.2453 at -4.47e+06
assign (resid 600 and name   HA) (resid 603 and name HD1#)  3.0  1.2  0.8 ! A.2454 at -6.73e+06
assign (resid 600 and name   HA) (resid 603 and name   HN)  3.0  1.2  0.5 ! A.2455 at -9.05e+06
assign (resid 600 and name   HN) (resid 603 and name HD1#)  4.0  2.2  1.5 ! A.2477 at  4.23e+06
assign (resid 600 and name   HN) (resid 603 and name HD2#)  4.0  2.2  1.5 ! A.2624 at -1.82e+06
assign (resid 600 and name   HN) (resid 603 and name   HN)  4.0  2.2  2.0 ! A.2634 at  1.62e+06
assign (resid 600 and name   HA) (resid 604 and name   HA)  4.0  2.2  1.0 ! A.2456 at -2.49e+06
assign (resid 600 and name   HA) (resid 604 and name  HB2)  4.0  2.2  1.0 ! A.2457 at -3.68e+06
assign (resid 600 and name   HA) (resid 604 and name   HN)  3.0  1.2  0.5 ! A.2652 at  1.47e+07

! L601
assign (resid 601 and name   HA) (resid 601 and name   HG)  3.0  1.2  0.3 ! A.2480 at -3.68e+07
assign (resid 601 and name  HB1) (resid 601 and name   HN)  3.0  1.2  0.5 ! A.2490 at -2.96e+07
assign (resid 601 and name  HB2) (resid 601 and name   HN)  3.0  1.2  0.5 ! A.2491 at -1.89e+07
assign (resid 601 and name HD1#) (resid 601 and name   HA)  2.5  0.7  0.7 ! A.2495 at -5.50e+07
assign (resid 601 and name HD1#) (resid 601 and name  HB1)  2.5  0.7  0.7 ! A.2496 at -8.66e+07
assign (resid 601 and name HD1#) (resid 601 and name  HB2)  3.0  1.2  0.8 ! A.2497 at -2.31e+07
assign (resid 601 and name HD1#) (resid 601 and name   HN)  3.0  1.2  1.0 ! A.2499 at -1.25e+07
assign (resid 601 and name HD2#) (resid 601 and name   HA)  3.0  1.2  0.8 ! A.2506 at -1.35e+07
assign (resid 601 and name HD2#) (resid 601 and name  HB1)  2.5  0.7  0.7 ! A.2507 at -9.59e+07
assign (resid 601 and name HD2#) (resid 601 and name  HB2)  3.0  1.2  0.8 ! A.2508 at -2.53e+07
assign (resid 601 and name HD2#) (resid 601 and name   HN)  3.0  1.2  1.0 ! A.2510 at -1.33e+07
assign (resid 601 and name   HG) (resid 601 and name   HN)  3.0  1.2  1.1 ! A.2518 at -2.11e+07
assign (resid 601 and name   HA) (resid 602 and name   HN)  3.0  1.2  0.5 ! A.2482 at -1.01e+07
assign (resid 601 and name  HB1) (resid 602 and name   HN)  3.0  1.2  0.5 ! A.2492 at -1.46e+07
assign (resid 601 and name  HB2) (resid 602 and name   HN)  3.0  1.2  1.0 ! A.2493 at -5.88e+06
assign (resid 601 and name HD1#) (resid 602 and name   HN)  4.0  2.2  1.5 ! A.2500 at -3.56e+06
assign (resid 601 and name HD2#) (resid 602 and name   HN)  3.0  1.2  1.0 ! A.2511 at -6.58e+06
assign (resid 601 and name   HG) (resid 602 and name   HN)  4.0  2.2  1.0 ! A.2519 at -4.80e+06
assign (resid 601 and name   HN) (resid 602 and name   HN)  2.5  0.7  0.4 ! A.2580 at  8.96e+07
assign (resid 601 and name   HA) (resid 604 and name   HN)  4.0  2.2  1.0 ! A.2653 at  5.21e+06
assign (resid 601 and name   HA) (resid 605 and name  HB1)  3.0  1.2  0.3 ! A.2483 at -2.95e+07
assign (resid 601 and name HD1#) (resid 605 and name  HB1)  3.0  1.2  0.8 ! A.2501 at -1.14e+07
assign (resid 601 and name HD1#) (resid 605 and name  HB2)  3.0  1.2  0.8 ! A.2502 at -7.69e+06
assign (resid 601 and name HD2#) (resid 605 and name  HB1)  4.0  2.2  1.5 ! A.2512 at -4.81e+06
assign (resid 601 and name HD2#) (resid 605 and name  HB2)  4.0  2.2  1.5 ! A.2513 at -3.93e+06
assign (resid 601 and name   HA) (resid 605 and name  HB2)  3.0  1.2  0.3 ! A.2671 at -8.31e+06
assign (resid 601 and name   HA) (resid 605 and name   HN)  3.0  1.2  0.5 ! A.2676 at  1.30e+07
assign (resid 601 and name  HB2) (resid 605 and name   HN)  4.0  2.2  1.6 ! A.2677 at  5.55e+06
assign (resid 601 and name   HG) (resid 605 and name   HN)  4.0  2.2  1.0 ! A.2678 at  3.16e+06

! K602
assign (resid 602 and name   HA) (resid 602 and name  HE1)  4.0  2.2  1.0 ! A.2534 at -2.46e+06
assign (resid 602 and name   HA) (resid 602 and name  HG2)  3.0  1.2  0.3 ! A.2535 at -1.90e+07
assign (resid 602 and name  HB1) (resid 602 and name  HE1)  4.0  2.2  1.0 ! A.2541 at -1.81e+06
assign (resid 602 and name  HB1) (resid 602 and name   HN)  3.0  1.2  0.5 ! A.2544 at -3.08e+07
assign (resid 602 and name  HB2) (resid 602 and name  HE1)  4.0  2.2  2.0 ! A.2542 at -1.78e+06
assign (resid 602 and name  HB2) (resid 602 and name   HN)  3.0  1.2  0.5 ! A.2545 at -2.56e+07
assign (resid 602 and name  HD1) (resid 602 and name   HA)  3.0  1.2  0.3 ! A.2552 at -1.08e+07
assign (resid 602 and name  HD1) (resid 602 and name   HN)  3.0  1.2  0.5 ! A.2555 at -5.80e+06
assign (resid 602 and name  HE1) (resid 602 and name  HG2)  3.0  1.2  0.3 ! A.2559 at -1.04e+07
assign (resid 602 and name  HE1) (resid 602 and name   HN)  4.0  2.2  1.0 ! A.2560 at -2.41e+06
assign (resid 602 and name  HE2) (resid 602 and name   HN)  4.0  2.2  1.0 ! A.2561 at -3.63e+06
assign (resid 602 and name  HG1) (resid 602 and name   HA)  3.0  1.2  0.3 ! A.2564 at -1.25e+07
assign (resid 602 and name  HG1) (resid 602 and name  HE1)  4.0  2.2  1.0 ! A.2568 at -5.37e+06
assign (resid 602 and name  HG1) (resid 602 and name   HN)  3.0  1.2  1.4 ! A.2570 at -9.29e+06
assign (resid 602 and name  HG2) (resid 602 and name  HE2)  3.0  1.2  0.3 ! A.2569 at -6.22e+06
assign (resid 602 and name  HG2) (resid 602 and name   HN)  3.0  1.2  1.4 ! A.2571 at -8.61e+06
assign (resid 602 and name   HA) (resid 603 and name HD2#)  4.0  2.2  1.5 ! A.2537 at -2.69e+06
assign (resid 602 and name   HA) (resid 603 and name   HN)  3.0  1.2  0.5 ! A.2538 at -1.34e+07
assign (resid 602 and name  HB1) (resid 603 and name HD2#)  4.0  2.2  1.5 ! A.2546 at -5.66e+06
assign (resid 602 and name  HB1) (resid 603 and name   HG)  3.0  1.2  0.3 ! A.2548 at -6.25e+06
assign (resid 602 and name  HB1) (resid 603 and name   HN)  3.0  1.2  0.5 ! A.2550 at -8.02e+06
assign (resid 602 and name  HB2) (resid 603 and name HD2#)  4.0  2.2  1.5 ! A.2547 at -5.55e+06
assign (resid 602 and name  HB2) (resid 603 and name   HG)  3.0  1.2  0.8 ! A.2549 at -7.07e+06
assign (resid 602 and name  HB2) (resid 603 and name   HN)  3.0  1.2  0.5 ! A.2551 at -1.13e+07
assign (resid 602 and name  HD1) (resid 603 and name HD2#)  4.0  2.2  1.5 ! A.2556 at -5.07e+06
assign (resid 602 and name  HE1) (resid 603 and name HD2#)  4.0  2.2  1.5 ! A.2562 at -4.87e+06
assign (resid 602 and name  HE2) (resid 603 and name HD2#)  4.0  2.2  1.5 ! A.2563 at -4.46e+06
assign (resid 602 and name  HG1) (resid 603 and name HD2#)  3.0  1.2  0.8 ! A.2572 at -6.55e+06
assign (resid 602 and name  HG1) (resid 603 and name   HN)  4.0  2.2  1.0 ! A.2574 at -2.75e+06
assign (resid 602 and name  HG2) (resid 603 and name HD2#)  3.0  1.2  0.8 ! A.2573 at -7.13e+06
assign (resid 602 and name  HG2) (resid 603 and name   HN)  4.0  2.2  1.0 ! A.2575 at -3.00e+06
assign (resid 602 and name   HN) (resid 603 and name  HB1)  4.0  2.2  1.7 ! A.2586 at  4.96e+06
assign (resid 602 and name   HN) (resid 603 and name  HB2)  4.0  2.2  1.0 ! A.2587 at  3.75e+06
assign (resid 602 and name   HN) (resid 603 and name HD1#)  3.0  1.2  1.6 ! A.2588 at  7.84e+06
assign (resid 602 and name   HN) (resid 603 and name HD2#)  3.0  1.2  1.0 ! A.2589 at  7.84e+06
assign (resid 602 and name   HN) (resid 603 and name   HG)  3.0  1.2  0.5 ! A.2590 at  2.70e+07
assign (resid 602 and name   HN) (resid 603 and name   HN)  2.5  0.7  0.4 ! A.2591 at  8.96e+07
assign (resid 602 and name  HB1) (resid 603 and name   HA)  4.0  2.2  1.0 ! A.2592 at -2.00e+06
assign (resid 602 and name  HB2) (resid 603 and name   HA)  4.0  2.2  1.4 ! A.2593 at -3.25e+06
assign (resid 602 and name  HG1) (resid 603 and name   HA)  4.0  2.2  1.0 ! A.2594 at -2.17e+06
assign (resid 602 and name   HA) (resid 605 and name   HN)  4.0  2.2  1.0 ! A.2679 at  5.68e+06

! L603
assign (resid 603 and name   HA) (resid 603 and name   HG)  3.0  1.2  0.3 ! A.2597 at -2.36e+07
assign (resid 603 and name  HB1) (resid 603 and name   HN)  3.0  1.2  0.5 ! A.2609 at -1.18e+07
assign (resid 603 and name  HB2) (resid 603 and name   HN)  3.0  1.2  0.5 ! A.2610 at -1.06e+07
assign (resid 603 and name HD1#) (resid 603 and name   HA)  3.0  1.2  0.8 ! A.2614 at -3.95e+07
assign (resid 603 and name HD1#) (resid 603 and name  HB2)  3.0  1.2  0.8 ! A.2615 at -2.76e+07
assign (resid 603 and name HD1#) (resid 603 and name   HN)  3.0  1.2  1.0 ! A.2617 at -1.19e+07
assign (resid 603 and name HD2#) (resid 603 and name   HA)  4.0  2.2  1.5 ! A.2625 at -4.84e+06
assign (resid 603 and name HD2#) (resid 603 and name  HB2)  3.0  1.2  0.8 ! A.2626 at -2.03e+07
assign (resid 603 and name HD2#) (resid 603 and name   HN)  3.0  1.2  1.0 ! A.2628 at -5.97e+06
assign (resid 603 and name   HG) (resid 603 and name   HN)  3.0  1.2  0.5 ! A.2632 at -1.40e+07
assign (resid 603 and name   HA) (resid 604 and name   HN)  3.0  1.2  0.5 ! A.2599 at -8.15e+06
assign (resid 603 and name  HB1) (resid 604 and name   HN)  3.0  1.2  0.5 ! A.2655 at  3.27e+07
assign (resid 603 and name  HB2) (resid 604 and name   HN)  3.0  1.2  0.5 ! A.2656 at  9.30e+06
assign (resid 603 and name   HG) (resid 604 and name   HN)  3.0  1.2  0.5 ! A.2659 at  1.11e+07
assign (resid 603 and name   HN) (resid 604 and name   HA)  4.0  2.2  1.0 ! A.2641 at  2.81e+06
assign (resid 603 and name   HN) (resid 604 and name  HB2)  4.0  2.2  2.0 ! A.2644 at -1.74e+06
assign (resid 603 and name HD1#) (resid 604 and name   HN)  3.0  1.2  1.0 ! A.2657 at  1.46e+07
assign (resid 603 and name HD2#) (resid 604 and name   HN)  3.0  1.2  1.0 ! A.2658 at  1.46e+07
assign (resid 603 and name   HN) (resid 604 and name   HN)  2.5  0.7  0.4 ! A.2660 at  6.77e+07
assign (resid 603 and name   HA) (resid 605 and name   HN)  3.0  1.2  1.1 ! A.2680 at  5.73e+06
assign (resid 603 and name   HN) (resid 605 and name   HN)  3.0  1.2  0.5 ! A.2642 at  7.64e+06
assign (resid 603 and name  HB1) (resid 605 and name   HN)  4.0  2.2  1.3 ! A.2681 at  6.82e+06
assign (resid 603 and name  HB2) (resid 605 and name   HN)  4.0  2.2  1.0 ! A.2682 at  2.37e+06
assign (resid 603 and name   HG) (resid 605 and name   HN)  3.0  1.2  1.9 ! A.2683 at  1.17e+07

! F604
assign (resid 604 and name  HB1) (resid 604 and name   HN)  3.0  1.2  0.5 ! A.2649 at -7.34e+06
assign (resid 604 and name  HB2) (resid 604 and name   HN)  3.0  1.2  0.5 ! A.2650 at -8.12e+06
assign (resid 604 and name  HB2) (resid 605 and name   HN)  3.0  1.2  0.9 ! A.2686 at  1.72e+07 !! relaxed
assign (resid 604 and name   HN) (resid 605 and name   HA)  4.0  2.2  1.0 ! A.2664 at  4.16e+06
assign (resid 604 and name   HN) (resid 605 and name  HB1)  4.0  2.2  1.0 ! A.2665 at  4.20e+06
assign (resid 604 and name   HN) (resid 605 and name   HN)  2.5  0.7  0.4 ! A.2666 at  8.49e+07
assign (resid 604 and name   HA) (resid 605 and name   HN)  3.0  1.2  0.5 ! A.2685 at  2.61e+07

! C605
assign (resid 605 and name  HB1) (resid 605 and name   HN)  3.0  1.2  0.5 ! A.2674 at -1.01e+07
assign (resid 605 and name  HB2) (resid 605 and name   HN)  3.0  1.2  0.5 ! A.2675 at -1.20e+07

!@ END_XPLR_NOE_FILE
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    TYR 541           HT1      TYR 541  43.657   0.966 -20.405
    2    HA   TYR 541           HA       TYR 541  44.235   3.516 -18.996
    3    HB2  TYR 541           HB2      TYR 541  41.942   1.538 -18.800
    4    HB3  TYR 541           HB1      TYR 541  42.238   2.825 -17.630
    5    HD1  TYR 541           HD1      TYR 541  41.031   2.010 -20.983
    6    HD2  TYR 541           HD2      TYR 541  42.084   5.213 -18.319
    7    HE1  TYR 541           HE1      TYR 541  39.846   3.620 -22.449
    8    HE2  TYR 541           HE2      TYR 541  40.898   6.822 -19.787
    9    HH   TYR 541           HH       TYR 541  38.767   6.379 -21.652
   10    H    HIS 542           HN       HIS 542  44.576   3.099 -16.646
   11    HA   HIS 542           HA       HIS 542  46.395   0.843 -16.264
   12    HB2  HIS 542           HB2      HIS 542  46.942   1.855 -14.182
   13    HB3  HIS 542           HB1      HIS 542  46.644   3.206 -15.273
   14    HD1  HIS 542           HD1      HIS 542  43.710   3.594 -15.265
   15    HD2  HIS 542           HD2      HIS 542  45.733   2.494 -11.791
   16    HE1  HIS 542           HE1      HIS 542  42.215   4.250 -13.328
   17    H    GLU 543           HN       GLU 543  45.778   0.314 -13.491
   18    HA   GLU 543           HA       GLU 543  43.701  -1.693 -13.864
   19    HB2  GLU 543           HB2      GLU 543  44.194  -2.316 -11.542
   20    HB3  GLU 543           HB1      GLU 543  45.694  -2.105 -12.444
   21    HG2  GLU 543           HG2      GLU 543  46.342  -0.344 -11.176
   22    HG3  GLU 543           HG1      GLU 543  44.736   0.379 -11.218
   23    H    ARG 544           HN       ARG 544  42.645  -1.418 -11.098
   24    HA   ARG 544           HA       ARG 544  40.419   0.345 -11.723
   25    HB2  ARG 544           HB2      ARG 544  41.159  -1.488  -9.487
   26    HB3  ARG 544           HB1      ARG 544  39.974  -0.225  -9.149
   27    HG2  ARG 544           HG2      ARG 544  39.725  -1.973 -11.594
   28    HG3  ARG 544           HG1      ARG 544  39.098  -2.498 -10.033
   29    HD2  ARG 544           HD2      ARG 544  38.130   0.062 -10.175
   30    HD3  ARG 544           HD1      ARG 544  38.080  -0.418 -11.867
   31    HE   ARG 544           HE       ARG 544  36.183  -1.196  -9.949
   32   HH11  ARG 544          HH11      ARG 544  34.976  -3.082 -10.039
   33   HH12  ARG 544          HH12      ARG 544  35.515  -4.401 -11.024
   34   HH21  ARG 544          HH21      ARG 544  38.346  -2.767 -12.148
   35   HH22  ARG 544          HH22      ARG 544  37.417  -4.224 -12.208
   36    H    ARG 545           HN       ARG 545  42.973   0.394  -9.212
   37    HA   ARG 545           HA       ARG 545  42.536   3.349  -8.994
   38    HB2  ARG 545           HB2      ARG 545  43.665   1.668  -6.766
   39    HB3  ARG 545           HB1      ARG 545  42.912   3.261  -6.674
   40    HG2  ARG 545           HG2      ARG 545  40.777   2.086  -7.545
   41    HG3  ARG 545           HG1      ARG 545  41.589   0.586  -7.098
   42    HD2  ARG 545           HD2      ARG 545  41.648   1.158  -4.810
   43    HD3  ARG 545           HD1      ARG 545  41.370   2.868  -5.142
   44    HE   ARG 545           HE       ARG 545  39.081   1.612  -6.092
   45   HH11  ARG 545          HH11      ARG 545  37.256   1.276  -4.817
   46   HH12  ARG 545          HH12      ARG 545  37.416   1.204  -3.094
   47   HH21  ARG 545          HH21      ARG 545  40.842   1.703  -3.121
   48   HH22  ARG 545          HH22      ARG 545  39.442   1.444  -2.136
   49    H    GLY 546           HN       GLY 546  45.014   0.946  -8.059
   50    HA2  GLY 546           HA2      GLY 546  47.177   0.952  -9.329
   51    HA3  GLY 546           HA1      GLY 546  47.043   2.708  -9.370
   52    H    SER 547           HN       SER 547  45.943   2.428  -6.477
   53    HA   SER 547           HA       SER 547  46.789   2.529  -4.300
   54    HB2  SER 547           HB2      SER 547  48.307   0.431  -5.581
   55    HB3  SER 547           HB1      SER 547  49.343   1.340  -4.490
   56    HG   SER 547           HG       SER 547  47.470  -0.451  -3.898
   57    H    LEU 548           HN       LEU 548  47.509   4.477  -3.599
   58    HA   LEU 548           HA       LEU 548  49.326   6.087  -5.165
   59    HB2  LEU 548           HB2      LEU 548  47.984   6.378  -2.501
   60    HB3  LEU 548           HB1      LEU 548  49.322   7.448  -2.897
   61    HG   LEU 548           HG       LEU 548  48.191   8.206  -4.914
   62   HD11  LEU 548          HD11      LEU 548  46.175   6.086  -4.159
   63   HD12  LEU 548          HD12      LEU 548  47.045   6.273  -5.682
   64   HD13  LEU 548          HD13      LEU 548  45.774   7.414  -5.248
   65   HD21  LEU 548          HD21      LEU 548  47.621   9.300  -2.752
   66   HD22  LEU 548          HD22      LEU 548  46.269   8.183  -2.565
   67   HD23  LEU 548          HD23      LEU 548  46.276   9.345  -3.891
   68    H    CYS 549           HN       CYS 549  51.500   6.414  -4.901
   69    HA   CYS 549           HA       CYS 549  52.995   4.484  -3.293
   70    HB2  CYS 549           HB2      CYS 549  54.223   4.892  -5.193
   71    HB3  CYS 549           HB1      CYS 549  53.595   6.527  -5.371
   72    H    SER 550           HN       SER 550  53.125   4.889  -1.126
   73    HA   SER 550           HA       SER 550  52.583   7.334   0.130
   74    HB2  SER 550           HB2      SER 550  54.551   5.230   1.070
   75    HB3  SER 550           HB1      SER 550  53.822   6.474   2.077
   76    HG   SER 550           HG       SER 550  52.677   4.205   0.880
   77    H    GLY 551           HN       GLY 551  53.543   9.195  -0.317
   78    HA2  GLY 551           HA2      GLY 551  55.684  10.509   0.083
   79    HA3  GLY 551           HA1      GLY 551  56.486   9.244  -0.862
   80    H    CYS 552           HN       CYS 552  54.175   8.938  -2.655
   81    HA   CYS 552           HA       CYS 552  54.624  11.355  -4.359
   82    HB2  CYS 552           HB2      CYS 552  54.189   8.458  -4.894
   83    HB3  CYS 552           HB1      CYS 552  53.457   9.589  -6.031
   84    H    GLN 553           HN       GLN 553  52.202   9.367  -2.788
   85    HA   GLN 553           HA       GLN 553  49.893   9.638  -2.536
   86    HB2  GLN 553           HB2      GLN 553  50.669  12.497  -3.203
   87    HB3  GLN 553           HB1      GLN 553  49.055  12.014  -2.688
   88    HG2  GLN 553           HG2      GLN 553  50.119  12.683  -0.685
   89    HG3  GLN 553           HG1      GLN 553  50.225  10.926  -0.660
   90   HE21  GLN 553          HE21      GLN 553  52.233  10.531   0.326
   91   HE22  GLN 553          HE22      GLN 553  53.702  11.208  -0.190
   92    H    LYS 554           HN       LYS 554  51.098   8.932  -5.129
   93    HA   LYS 554           HA       LYS 554  48.777   9.625  -6.869
   94    HB2  LYS 554           HB2      LYS 554  51.717   9.616  -7.624
   95    HB3  LYS 554           HB1      LYS 554  50.414   9.602  -8.812
   96    HG2  LYS 554           HG2      LYS 554  50.747  11.723  -6.670
   97    HG3  LYS 554           HG1      LYS 554  51.287  11.902  -8.338
   98    HD2  LYS 554           HD2      LYS 554  48.784  11.204  -8.878
   99    HD3  LYS 554           HD1      LYS 554  48.499  11.809  -7.246
  100    HE2  LYS 554           HE2      LYS 554  48.190  13.715  -8.603
  101    HE3  LYS 554           HE1      LYS 554  49.840  13.895  -8.005
  102    HZ1  LYS 554           HZ1      LYS 554  49.984  14.269 -10.289
  103    HZ2  LYS 554           HZ2      LYS 554  48.941  12.983 -10.670
  104    HZ3  LYS 554           HZ3      LYS 554  50.511  12.667 -10.105
  105    HA   PRO 555           HA       PRO 555  48.269   5.253  -7.142
  106    HB2  PRO 555           HB2      PRO 555  47.928   5.582 -10.046
  107    HB3  PRO 555           HB1      PRO 555  46.806   4.948  -8.837
  108    HG2  PRO 555           HG2      PRO 555  46.638   7.454 -10.045
  109    HG3  PRO 555           HG1      PRO 555  45.801   6.972  -8.567
  110    HD2  PRO 555           HD2      PRO 555  47.985   8.876  -8.868
  111    HD3  PRO 555           HD1      PRO 555  47.045   8.491  -7.405
  112    H    ILE 556           HN       ILE 556  49.339   3.393  -7.848
  113    HA   ILE 556           HA       ILE 556  51.999   3.872  -9.104
  114    HB   ILE 556           HB       ILE 556  50.959   1.711  -7.250
  115   HG12  ILE 556          HG12      ILE 556  53.305   3.544  -6.769
  116   HG13  ILE 556          HG11      ILE 556  51.667   4.119  -6.475
  117   HG21  ILE 556          HG21      ILE 556  53.457   1.033  -7.287
  118   HG22  ILE 556          HG22      ILE 556  53.556   1.963  -8.781
  119   HG23  ILE 556          HG23      ILE 556  52.478   0.572  -8.679
  120   HD11  ILE 556          HD11      ILE 556  51.742   1.586  -5.280
  121   HD12  ILE 556          HD12      ILE 556  51.795   3.139  -4.448
  122   HD13  ILE 556          HD13      ILE 556  53.294   2.316  -4.874
  123    H    THR 557           HN       THR 557  51.423   3.668 -11.291
  124    HA   THR 557           HA       THR 557  49.782   1.417 -12.198
  125    HB   THR 557           HB       THR 557  50.298   2.343 -14.475
  126    HG1  THR 557           HG1      THR 557  52.335   3.201 -13.997
  127   HG21  THR 557          HG21      THR 557  49.415   4.434 -12.467
  128   HG22  THR 557          HG22      THR 557  48.380   3.142 -13.074
  129   HG23  THR 557          HG23      THR 557  48.995   4.371 -14.178
  130    H    GLY 558           HN       GLY 558  50.936  -0.455 -11.695
  131    HA2  GLY 558           HA2      GLY 558  52.384  -1.966 -13.230
  132    HA3  GLY 558           HA1      GLY 558  53.645  -0.773 -12.902
  133    H    ARG 559           HN       ARG 559  54.964  -2.309 -11.763
  134    HA   ARG 559           HA       ARG 559  54.071  -3.973  -9.637
  135    HB2  ARG 559           HB2      ARG 559  56.678  -2.835 -10.521
  136    HB3  ARG 559           HB1      ARG 559  56.594  -3.372  -8.844
  137    HG2  ARG 559           HG2      ARG 559  55.385  -5.242 -10.778
  138    HG3  ARG 559           HG1      ARG 559  57.123  -5.017 -10.976
  139    HD2  ARG 559           HD2      ARG 559  56.960  -5.248  -8.270
  140    HD3  ARG 559           HD1      ARG 559  55.617  -6.278  -8.751
  141    HE   ARG 559           HE       ARG 559  58.317  -7.053  -8.832
  142   HH11  ARG 559          HH11      ARG 559  59.166  -8.582 -10.232
  143   HH12  ARG 559          HH12      ARG 559  58.301  -9.003 -11.672
  144   HH21  ARG 559          HH21      ARG 559  55.670  -6.849 -11.052
  145   HH22  ARG 559          HH22      ARG 559  56.333  -8.022 -12.135
  146    H    CYS 560           HN       CYS 560  54.323  -3.593  -7.291
  147    HA   CYS 560           HA       CYS 560  54.603  -0.803  -6.414
  148    HB2  CYS 560           HB2      CYS 560  52.396  -0.592  -5.477
  149    HB3  CYS 560           HB1      CYS 560  52.204  -1.056  -7.167
  150    HG   CYS 560           HG       CYS 560  52.238  -3.466  -5.286
  151    H    ILE 561           HN       ILE 561  55.359  -0.713  -4.368
  152    HA   ILE 561           HA       ILE 561  55.776  -3.281  -2.954
  153    HB   ILE 561           HB       ILE 561  56.751  -0.604  -1.978
  154   HG12  ILE 561          HG12      ILE 561  57.279  -0.727  -4.411
  155   HG13  ILE 561          HG11      ILE 561  58.729  -0.814  -3.418
  156   HG21  ILE 561          HG21      ILE 561  57.496  -3.490  -1.693
  157   HG22  ILE 561          HG22      ILE 561  57.363  -2.240  -0.456
  158   HG23  ILE 561          HG23      ILE 561  58.760  -2.273  -1.532
  159   HD11  ILE 561          HD11      ILE 561  58.837  -2.503  -5.186
  160   HD12  ILE 561          HD12      ILE 561  57.287  -3.168  -4.673
  161   HD13  ILE 561          HD13      ILE 561  58.693  -3.293  -3.617
  162    H    THR 562           HN       THR 562  55.064  -3.601  -0.791
  163    HA   THR 562           HA       THR 562  53.048  -1.628   0.205
  164    HB   THR 562           HB       THR 562  52.848  -4.655   0.280
  165    HG1  THR 562           HG1      THR 562  52.357  -3.563  -1.727
  166   HG21  THR 562          HG21      THR 562  50.457  -3.913   1.103
  167   HG22  THR 562          HG22      THR 562  51.300  -2.441   1.588
  168   HG23  THR 562          HG23      THR 562  51.794  -3.999   2.251
  169    H    ALA 563           HN       ALA 563  54.140  -0.753   1.904
  170    HA   ALA 563           HA       ALA 563  55.832  -2.467   3.612
  171    HB1  ALA 563           HB1      ALA 563  56.567  -0.405   4.632
  172    HB2  ALA 563           HB2      ALA 563  55.234   0.488   3.900
  173    HB3  ALA 563           HB3      ALA 563  56.528  -0.152   2.887
  174    H    MET 564           HN       MET 564  54.868  -0.258   5.723
  175    HA   MET 564           HA       MET 564  53.124  -2.076   7.163
  176    HB2  MET 564           HB2      MET 564  53.792   0.842   7.637
  177    HB3  MET 564           HB1      MET 564  52.947  -0.196   8.782
  178    HG2  MET 564           HG2      MET 564  54.910  -1.708   8.846
  179    HG3  MET 564           HG1      MET 564  55.759  -0.639   7.730
  180    HE1  MET 564           HE1      MET 564  55.402  -0.427  12.173
  181    HE2  MET 564           HE2      MET 564  55.213  -1.751  11.026
  182    HE3  MET 564           HE3      MET 564  53.875  -0.640  11.304
  183    H    ALA 565           HN       ALA 565  51.804  -1.989   4.976
  184    HA   ALA 565           HA       ALA 565  49.617  -1.622   4.171
  185    HB1  ALA 565           HB1      ALA 565  49.118   0.659   6.041
  186    HB2  ALA 565           HB2      ALA 565  49.238  -0.956   6.741
  187    HB3  ALA 565           HB3      ALA 565  48.022  -0.617   5.510
  188    H    LYS 566           HN       LYS 566  52.125   0.607   4.526
  189    HA   LYS 566           HA       LYS 566  50.923   2.680   2.797
  190    HB2  LYS 566           HB2      LYS 566  53.344   2.405   4.485
  191    HB3  LYS 566           HB1      LYS 566  53.562   3.347   3.011
  192    HG2  LYS 566           HG2      LYS 566  51.592   4.733   3.629
  193    HG3  LYS 566           HG1      LYS 566  51.444   3.820   5.131
  194    HD2  LYS 566           HD2      LYS 566  54.043   5.161   4.399
  195    HD3  LYS 566           HD1      LYS 566  52.750   6.069   5.184
  196    HE2  LYS 566           HE2      LYS 566  52.982   4.954   7.175
  197    HE3  LYS 566           HE1      LYS 566  53.424   3.437   6.393
  198    HZ1  LYS 566           HZ1      LYS 566  55.155   5.818   6.768
  199    HZ2  LYS 566           HZ2      LYS 566  55.589   4.459   5.845
  200    HZ3  LYS 566           HZ3      LYS 566  55.326   4.306   7.517
  201    H    LYS 567           HN       LYS 567  51.301   2.798   0.607
  202    HA   LYS 567           HA       LYS 567  52.890   0.612  -0.595
  203    HB2  LYS 567           HB2      LYS 567  50.813   2.530  -1.620
  204    HB3  LYS 567           HB1      LYS 567  51.870   1.682  -2.749
  205    HG2  LYS 567           HG2      LYS 567  49.725   0.465  -2.311
  206    HG3  LYS 567           HG1      LYS 567  51.157  -0.471  -1.882
  207    HD2  LYS 567           HD2      LYS 567  50.842  -0.123   0.434
  208    HD3  LYS 567           HD1      LYS 567  49.758   1.245   0.169
  209    HE2  LYS 567           HE2      LYS 567  47.948  -0.106  -0.353
  210    HE3  LYS 567           HE1      LYS 567  48.967  -1.430  -0.913
  211    HZ1  LYS 567           HZ1      LYS 567  47.797  -1.680   1.327
  212    HZ2  LYS 567           HZ2      LYS 567  48.966  -0.599   1.920
  213    HZ3  LYS 567           HZ3      LYS 567  49.442  -2.085   1.247
  214    H    PHE 568           HN       PHE 568  54.190   1.273  -2.589
  215    HA   PHE 568           HA       PHE 568  55.325   3.995  -2.561
  216    HB2  PHE 568           HB2      PHE 568  56.917   1.552  -1.712
  217    HB3  PHE 568           HB1      PHE 568  57.673   3.036  -2.274
  218    HD1  PHE 568           HD1      PHE 568  57.540   5.104  -0.935
  219    HD2  PHE 568           HD2      PHE 568  55.819   1.419   0.450
  220    HE1  PHE 568           HE1      PHE 568  57.387   6.035   1.359
  221    HE2  PHE 568           HE2      PHE 568  55.661   2.353   2.741
  222    HZ   PHE 568           HZ       PHE 568  56.447   4.660   3.196
  223    H    HIS 569           HN       HIS 569  56.128   4.450  -4.631
  224    HA   HIS 569           HA       HIS 569  55.682   2.622  -6.782
  225    HB2  HIS 569           HB2      HIS 569  57.398   5.089  -6.481
  226    HB3  HIS 569           HB1      HIS 569  57.501   4.118  -7.945
  227    HD2  HIS 569           HD2      HIS 569  54.681   3.725  -9.086
  228    HE1  HIS 569           HE1      HIS 569  53.587   7.588  -7.771
  229    HE2  HIS 569           HE2      HIS 569  52.947   5.657  -9.301
  230    HA   PRO 570           HA       PRO 570  58.891  -0.356  -5.969
  231    HB2  PRO 570           HB2      PRO 570  59.257  -0.408  -8.910
  232    HB3  PRO 570           HB1      PRO 570  58.854  -1.723  -7.798
  233    HG2  PRO 570           HG2      PRO 570  57.034  -0.571  -9.499
  234    HG3  PRO 570           HG1      PRO 570  56.605  -1.373  -7.987
  235    HD2  PRO 570           HD2      PRO 570  56.533   1.501  -8.645
  236    HD3  PRO 570           HD1      PRO 570  55.740   0.630  -7.308
  237    H    GLU 571           HN       GLU 571  59.383   2.635  -7.504
  238    HA   GLU 571           HA       GLU 571  62.354   2.314  -7.401
  239    HB2  GLU 571           HB2      GLU 571  62.436   4.238  -8.961
  240    HB3  GLU 571           HB1      GLU 571  61.514   2.895  -9.641
  241    HG2  GLU 571           HG2      GLU 571  59.415   3.957  -9.024
  242    HG3  GLU 571           HG1      GLU 571  60.271   5.246  -8.186
  243    H    HIS 572           HN       HIS 572  59.641   3.823  -5.940
  244    HA   HIS 572           HA       HIS 572  61.331   5.986  -4.781
  245    HB2  HIS 572           HB2      HIS 572  58.327   5.552  -4.706
  246    HB3  HIS 572           HB1      HIS 572  59.164   6.881  -3.905
  247    HD2  HIS 572           HD2      HIS 572  61.285   7.016  -6.726
  248    HE1  HIS 572           HE1      HIS 572  57.775   8.637  -8.410
  249    HE2  HIS 572           HE2      HIS 572  60.283   8.364  -8.708
  250    H    PHE 573           HN       PHE 573  60.192   2.879  -4.083
  251    HA   PHE 573           HA       PHE 573  59.953   3.175  -1.195
  252    HB2  PHE 573           HB2      PHE 573  58.856   1.314  -2.458
  253    HB3  PHE 573           HB1      PHE 573  60.450   0.687  -2.861
  254    HD1  PHE 573           HD1      PHE 573  58.844   2.024   0.268
  255    HD2  PHE 573           HD2      PHE 573  61.020  -1.179  -1.590
  256    HE1  PHE 573           HE1      PHE 573  58.920   0.821   2.433
  257    HE2  PHE 573           HE2      PHE 573  61.097  -2.382   0.577
  258    HZ   PHE 573           HZ       PHE 573  60.046  -1.382   2.587
  259    H    VAL 574           HN       VAL 574  61.921   4.275  -0.698
  260    HA   VAL 574           HA       VAL 574  64.409   2.690  -1.129
  261    HB   VAL 574           HB       VAL 574  65.614   4.804  -0.717
  262   HG11  VAL 574          HG11      VAL 574  65.347   5.438  -2.882
  263   HG12  VAL 574          HG12      VAL 574  63.623   5.750  -2.674
  264   HG13  VAL 574          HG13      VAL 574  64.193   4.108  -2.971
  265   HG21  VAL 574          HG21      VAL 574  64.055   5.865   0.834
  266   HG22  VAL 574          HG22      VAL 574  62.808   5.927  -0.411
  267   HG23  VAL 574          HG23      VAL 574  64.262   6.913  -0.570
  268    H    CYS 575           HN       CYS 575  66.057   3.077   0.708
  269    HA   CYS 575           HA       CYS 575  64.865   2.126   3.186
  270    HB2  CYS 575           HB2      CYS 575  67.010   1.248   2.574
  271    HB3  CYS 575           HB1      CYS 575  67.684   2.860   2.367
  272    H    ALA 576           HN       ALA 576  64.279   3.358   4.925
  273    HA   ALA 576           HA       ALA 576  64.415   6.254   4.781
  274    HB1  ALA 576           HB1      ALA 576  63.626   4.346   6.998
  275    HB2  ALA 576           HB2      ALA 576  62.554   5.269   5.945
  276    HB3  ALA 576           HB3      ALA 576  63.530   6.099   7.156
  277    H    PHE 577           HN       PHE 577  67.017   5.129   4.595
  278    HA   PHE 577           HA       PHE 577  68.312   6.448   6.914
  279    HB2  PHE 577           HB2      PHE 577  68.119   3.822   7.125
  280    HB3  PHE 577           HB1      PHE 577  69.428   3.828   5.947
  281    HD1  PHE 577           HD1      PHE 577  71.640   4.070   6.677
  282    HD2  PHE 577           HD2      PHE 577  68.429   5.389   9.211
  283    HE1  PHE 577           HE1      PHE 577  73.265   4.560   8.484
  284    HE2  PHE 577           HE2      PHE 577  70.056   5.878  11.016
  285    HZ   PHE 577           HZ       PHE 577  72.474   5.464  10.653
  286    H    CYS 578           HN       CYS 578  69.182   4.492   4.060
  287    HA   CYS 578           HA       CYS 578  71.185   6.556   3.304
  288    HB2  CYS 578           HB2      CYS 578  71.766   4.780   1.534
  289    HB3  CYS 578           HB1      CYS 578  72.104   4.361   3.212
  290    H    LEU 579           HN       LEU 579  68.049   5.404   2.500
  291    HA   LEU 579           HA       LEU 579  66.524   5.980   0.829
  292    HB2  LEU 579           HB2      LEU 579  68.272   8.458   0.707
  293    HB3  LEU 579           HB1      LEU 579  66.646   8.317   0.039
  294    HG   LEU 579           HG       LEU 579  66.277   7.445   2.626
  295   HD11  LEU 579          HD11      LEU 579  67.451   8.884   4.125
  296   HD12  LEU 579          HD12      LEU 579  68.090   9.860   2.801
  297   HD13  LEU 579          HD13      LEU 579  68.677   8.216   3.049
  298   HD21  LEU 579          HD21      LEU 579  66.056  10.261   1.513
  299   HD22  LEU 579          HD22      LEU 579  65.258   9.695   2.981
  300   HD23  LEU 579          HD23      LEU 579  64.824   9.003   1.418
  301    H    LYS 580           HN       LYS 580  69.261   4.716   0.078
  302    HA   LYS 580           HA       LYS 580  69.841   5.661  -2.596
  303    HB2  LYS 580           HB2      LYS 580  71.157   3.584  -2.809
  304    HB3  LYS 580           HB1      LYS 580  71.484   4.370  -1.265
  305    HG2  LYS 580           HG2      LYS 580  69.614   2.840  -0.319
  306    HG3  LYS 580           HG1      LYS 580  69.825   1.907  -1.800
  307    HD2  LYS 580           HD2      LYS 580  72.431   2.391  -0.830
  308    HD3  LYS 580           HD1      LYS 580  71.469   1.936   0.576
  309    HE2  LYS 580           HE2      LYS 580  72.355  -0.091  -0.407
  310    HE3  LYS 580           HE1      LYS 580  70.621  -0.042  -0.725
  311    HZ1  LYS 580           HZ1      LYS 580  70.937   0.304  -2.922
  312    HZ2  LYS 580           HZ2      LYS 580  72.405  -0.494  -2.615
  313    HZ3  LYS 580           HZ3      LYS 580  72.359   1.202  -2.706
  314    H    GLN 581           HN       GLN 581  68.138   2.769  -1.389
  315    HA   GLN 581           HA       GLN 581  65.959   2.900  -3.182
  316    HB2  GLN 581           HB2      GLN 581  68.290   2.090  -4.525
  317    HB3  GLN 581           HB1      GLN 581  67.434   0.590  -4.184
  318    HG2  GLN 581           HG2      GLN 581  65.566   2.611  -5.063
  319    HG3  GLN 581           HG1      GLN 581  66.871   2.449  -6.237
  320   HE21  GLN 581          HE21      GLN 581  64.167   0.784  -4.721
  321   HE22  GLN 581          HE22      GLN 581  64.183  -0.569  -5.745
  322    H    LEU 582           HN       LEU 582  64.675   0.814  -3.027
  323    HA   LEU 582           HA       LEU 582  65.655  -1.167  -1.122
  324    HB2  LEU 582           HB2      LEU 582  64.770   0.979   0.137
  325    HB3  LEU 582           HB1      LEU 582  63.192   0.278  -0.208
  326    HG   LEU 582           HG       LEU 582  64.050  -1.878   0.790
  327   HD11  LEU 582          HD11      LEU 582  66.258  -2.011   1.193
  328   HD12  LEU 582          HD12      LEU 582  66.028  -0.849   2.499
  329   HD13  LEU 582          HD13      LEU 582  66.467  -0.286   0.889
  330   HD21  LEU 582          HD21      LEU 582  64.136  -0.698   3.199
  331   HD22  LEU 582          HD22      LEU 582  62.639  -0.825   2.276
  332   HD23  LEU 582          HD23      LEU 582  63.566   0.674   2.250
  333    H    ASN 583           HN       ASN 583  64.197  -2.959  -0.872
  334    HA   ASN 583           HA       ASN 583  61.810  -2.998  -2.632
  335    HB2  ASN 583           HB2      ASN 583  62.559  -5.179  -3.597
  336    HB3  ASN 583           HB1      ASN 583  63.609  -3.840  -4.058
  337   HD21  ASN 583          HD21      ASN 583  63.461  -6.854  -2.274
  338   HD22  ASN 583          HD22      ASN 583  65.092  -6.880  -1.802
  339    H    LYS 584           HN       LYS 584  60.171  -3.975  -1.554
  340    HA   LYS 584           HA       LYS 584  60.312  -4.903   1.092
  341    HB2  LYS 584           HB2      LYS 584  58.162  -4.397   0.215
  342    HB3  LYS 584           HB1      LYS 584  58.381  -5.472  -1.161
  343    HG2  LYS 584           HG2      LYS 584  56.875  -6.537   0.420
  344    HG3  LYS 584           HG1      LYS 584  58.402  -7.416   0.420
  345    HD2  LYS 584           HD2      LYS 584  57.570  -7.027   2.724
  346    HD3  LYS 584           HD1      LYS 584  59.113  -6.222   2.445
  347    HE2  LYS 584           HE2      LYS 584  58.202  -4.134   2.615
  348    HE3  LYS 584           HE1      LYS 584  56.720  -4.607   1.788
  349    HZ1  LYS 584           HZ1      LYS 584  56.812  -5.979   4.212
  350    HZ2  LYS 584           HZ2      LYS 584  55.732  -4.754   3.744
  351    HZ3  LYS 584           HZ3      LYS 584  57.176  -4.357   4.546
  352    H    GLY 585           HN       GLY 585  60.988  -6.579  -1.892
  353    HA2  GLY 585           HA2      GLY 585  60.780  -9.267  -1.194
  354    HA3  GLY 585           HA1      GLY 585  62.014  -8.646  -2.280
  355    H    THR 586           HN       THR 586  63.378  -7.013  -0.259
  356    HA   THR 586           HA       THR 586  64.224  -9.009   1.767
  357    HB   THR 586           HB       THR 586  66.623  -8.746   1.111
  358    HG1  THR 586           HG1      THR 586  67.058  -7.815  -0.881
  359   HG21  THR 586          HG21      THR 586  64.897  -9.775  -1.158
  360   HG22  THR 586          HG22      THR 586  65.199 -10.669   0.332
  361   HG23  THR 586          HG23      THR 586  66.535 -10.286  -0.753
  362    H    PHE 587           HN       PHE 587  62.922  -6.404   2.019
  363    HA   PHE 587           HA       PHE 587  65.118  -4.695   3.062
  364    HB2  PHE 587           HB2      PHE 587  63.718  -2.900   2.835
  365    HB3  PHE 587           HB1      PHE 587  62.884  -3.950   1.708
  366    HD1  PHE 587           HD1      PHE 587  61.341  -5.799   3.181
  367    HD2  PHE 587           HD2      PHE 587  62.255  -1.729   4.212
  368    HE1  PHE 587           HE1      PHE 587  59.319  -5.705   4.612
  369    HE2  PHE 587           HE2      PHE 587  60.231  -1.637   5.639
  370    HZ   PHE 587           HZ       PHE 587  58.764  -3.624   5.841
  371    H    LYS 588           HN       LYS 588  64.305  -3.504   5.160
  372    HA   LYS 588           HA       LYS 588  63.045  -5.376   7.082
  373    HB2  LYS 588           HB2      LYS 588  65.835  -4.231   7.245
  374    HB3  LYS 588           HB1      LYS 588  64.939  -4.606   8.714
  375    HG2  LYS 588           HG2      LYS 588  65.346  -6.620   6.487
  376    HG3  LYS 588           HG1      LYS 588  66.459  -6.456   7.844
  377    HD2  LYS 588           HD2      LYS 588  65.119  -7.805   9.045
  378    HD3  LYS 588           HD1      LYS 588  63.885  -6.547   8.996
  379    HE2  LYS 588           HE2      LYS 588  62.931  -7.460   6.979
  380    HE3  LYS 588           HE1      LYS 588  64.268  -8.594   6.797
  381    HZ1  LYS 588           HZ1      LYS 588  62.849  -8.700   9.327
  382    HZ2  LYS 588           HZ2      LYS 588  63.442  -9.963   8.357
  383    HZ3  LYS 588           HZ3      LYS 588  61.966  -9.213   7.972
  384    H    GLU 589           HN       GLU 589  62.679  -4.020   9.228
  385    HA   GLU 589           HA       GLU 589  62.497  -1.129   8.640
  386    HB2  GLU 589           HB2      GLU 589  60.190  -0.938   8.812
  387    HB3  GLU 589           HB1      GLU 589  60.337  -2.480   7.971
  388    HG2  GLU 589           HG2      GLU 589  60.359  -3.516  10.361
  389    HG3  GLU 589           HG1      GLU 589  59.689  -1.966  10.867
  390    H    GLN 590           HN       GLN 590  62.246   0.167  10.478
  391    HA   GLN 590           HA       GLN 590  62.155  -1.059  13.149
  392    HB2  GLN 590           HB2      GLN 590  64.593  -1.085  12.348
  393    HB3  GLN 590           HB1      GLN 590  64.517   0.674  12.376
  394    HG2  GLN 590           HG2      GLN 590  65.400   0.058  14.494
  395    HG3  GLN 590           HG1      GLN 590  63.712   0.460  14.798
  396   HE21  GLN 590          HE21      GLN 590  64.959  -2.550  13.311
  397   HE22  GLN 590          HE22      GLN 590  64.383  -3.579  14.531
  398    H    ASN 591           HN       ASN 591  61.602   0.551  14.735
  399    HA   ASN 591           HA       ASN 591  60.512   2.507  15.429
  400    HB2  ASN 591           HB2      ASN 591  62.582   3.553  13.494
  401    HB3  ASN 591           HB1      ASN 591  61.514   4.633  14.384
  402   HD21  ASN 591          HD21      ASN 591  64.517   3.157  14.555
  403   HD22  ASN 591          HD22      ASN 591  64.742   3.200  16.236
  404    H    ASP 592           HN       ASP 592  59.574   1.036  12.865
  405    HA   ASP 592           HA       ASP 592  57.613   1.296  11.577
  406    HB2  ASP 592           HB2      ASP 592  57.135   3.107  13.481
  407    HB3  ASP 592           HB1      ASP 592  57.422   4.222  12.143
  408    H    LYS 593           HN       LYS 593  60.389   1.827  10.632
  409    HA   LYS 593           HA       LYS 593  59.602   3.263   8.162
  410    HB2  LYS 593           HB2      LYS 593  62.252   4.089   8.569
  411    HB3  LYS 593           HB1      LYS 593  60.808   5.090   8.681
  412    HG2  LYS 593           HG2      LYS 593  60.635   4.223  11.117
  413    HG3  LYS 593           HG1      LYS 593  62.308   3.716  10.902
  414    HD2  LYS 593           HD2      LYS 593  62.700   5.842  11.680
  415    HD3  LYS 593           HD1      LYS 593  62.533   6.217   9.965
  416    HE2  LYS 593           HE2      LYS 593  61.113   7.767  11.092
  417    HE3  LYS 593           HE1      LYS 593  60.033   6.539  10.430
  418    HZ1  LYS 593           HZ1      LYS 593  61.105   6.483  13.196
  419    HZ2  LYS 593           HZ2      LYS 593  59.908   5.471  12.539
  420    HZ3  LYS 593           HZ3      LYS 593  59.589   7.122  12.784
  421    HA   PRO 594           HA       PRO 594  61.718  -0.106   6.270
  422    HB2  PRO 594           HB2      PRO 594  62.579   1.128   3.969
  423    HB3  PRO 594           HB1      PRO 594  60.920   0.594   4.258
  424    HG2  PRO 594           HG2      PRO 594  62.068   3.339   4.375
  425    HG3  PRO 594           HG1      PRO 594  60.459   2.815   3.873
  426    HD2  PRO 594           HD2      PRO 594  61.017   3.974   6.331
  427    HD3  PRO 594           HD1      PRO 594  59.625   2.905   6.027
  428    H    TYR 595           HN       TYR 595  63.747  -0.944   5.754
  429    HA   TYR 595           HA       TYR 595  66.167   0.693   5.743
  430    HB2  TYR 595           HB2      TYR 595  65.534  -1.163   8.067
  431    HB3  TYR 595           HB1      TYR 595  67.152  -0.568   7.711
  432    HD1  TYR 595           HD1      TYR 595  67.315   2.066   7.374
  433    HD2  TYR 595           HD2      TYR 595  64.209   0.054   9.546
  434    HE1  TYR 595           HE1      TYR 595  66.810   4.164   8.598
  435    HE2  TYR 595           HE2      TYR 595  63.708   2.150  10.767
  436    HH   TYR 595           HH       TYR 595  65.103   5.195   9.844
  437    H    CYS 596           HN       CYS 596  67.492  -0.389   4.288
  438    HA   CYS 596           HA       CYS 596  66.816  -2.866   3.120
  439    HB2  CYS 596           HB2      CYS 596  69.726  -2.308   3.364
  440    HB3  CYS 596           HB1      CYS 596  68.772  -2.679   1.931
  441    H    GLN 597           HN       GLN 597  67.403  -5.004   3.595
  442    HA   GLN 597           HA       GLN 597  67.625  -5.802   6.271
  443    HB2  GLN 597           HB2      GLN 597  67.178  -7.666   5.032
  444    HB3  GLN 597           HB1      GLN 597  68.032  -7.030   3.631
  445    HG2  GLN 597           HG2      GLN 597  69.159  -9.044   4.449
  446    HG3  GLN 597           HG1      GLN 597  70.194  -7.641   4.685
  447   HE21  GLN 597          HE21      GLN 597  67.536  -7.726   6.887
  448   HE22  GLN 597          HE22      GLN 597  68.381  -8.333   8.227
  449    H    ASN 598           HN       ASN 598  70.150  -4.979   3.951
  450    HA   ASN 598           HA       ASN 598  72.387  -5.675   5.628
  451    HB2  ASN 598           HB2      ASN 598  72.656  -5.325   3.207
  452    HB3  ASN 598           HB1      ASN 598  72.164  -3.641   3.382
  453   HD21  ASN 598          HD21      ASN 598  74.711  -5.956   4.410
  454   HD22  ASN 598          HD22      ASN 598  75.907  -4.775   4.640
  455    H    CYS 599           HN       CYS 599  70.443  -2.753   5.164
  456    HA   CYS 599           HA       CYS 599  72.006  -1.068   6.925
  457    HB2  CYS 599           HB2      CYS 599  69.290  -0.932   5.669
  458    HB3  CYS 599           HB1      CYS 599  69.588   0.088   7.071
  459    H    PHE 600           HN       PHE 600  68.809  -2.639   7.388
  460    HA   PHE 600           HA       PHE 600  68.514  -2.256  10.156
  461    HB2  PHE 600           HB2      PHE 600  66.733  -3.277   8.903
  462    HB3  PHE 600           HB1      PHE 600  67.774  -4.587   8.362
  463    HD1  PHE 600           HD1      PHE 600  68.527  -6.342   9.969
  464    HD2  PHE 600           HD2      PHE 600  65.662  -3.331  11.061
  465    HE1  PHE 600           HE1      PHE 600  67.842  -7.702  11.925
  466    HE2  PHE 600           HE2      PHE 600  64.980  -4.694  13.017
  467    HZ   PHE 600           HZ       PHE 600  66.068  -6.878  13.449
  468    H    LEU 601           HN       LEU 601  70.253  -4.807   8.425
  469    HA   LEU 601           HA       LEU 601  71.216  -6.267  10.677
  470    HB2  LEU 601           HB2      LEU 601  71.334  -7.123   8.387
  471    HB3  LEU 601           HB1      LEU 601  72.400  -5.804   7.921
  472    HG   LEU 601           HG       LEU 601  73.986  -6.683   9.761
  473   HD11  LEU 601          HD11      LEU 601  73.708  -9.110  10.228
  474   HD12  LEU 601          HD12      LEU 601  72.160  -9.077   9.383
  475   HD13  LEU 601          HD13      LEU 601  72.370  -8.158  10.873
  476   HD21  LEU 601          HD21      LEU 601  73.344  -8.045   7.151
  477   HD22  LEU 601          HD22      LEU 601  74.683  -8.612   8.151
  478   HD23  LEU 601          HD23      LEU 601  74.682  -6.961   7.530
  479    H    LYS 602           HN       LYS 602  72.127  -3.262   9.215
  480    HA   LYS 602           HA       LYS 602  74.679  -3.035  10.672
  481    HB2  LYS 602           HB2      LYS 602  73.756  -2.032   8.276
  482    HB3  LYS 602           HB1      LYS 602  73.578  -0.646   9.343
  483    HG2  LYS 602           HG2      LYS 602  75.774  -0.461   8.495
  484    HG3  LYS 602           HG1      LYS 602  75.978  -1.137  10.110
  485    HD2  LYS 602           HD2      LYS 602  77.367  -2.474   8.718
  486    HD3  LYS 602           HD1      LYS 602  75.918  -3.446   8.972
  487    HE2  LYS 602           HE2      LYS 602  75.122  -3.065   6.807
  488    HE3  LYS 602           HE1      LYS 602  76.066  -1.589   6.611
  489    HZ1  LYS 602           HZ1      LYS 602  77.104  -3.265   5.329
  490    HZ2  LYS 602           HZ2      LYS 602  77.059  -4.383   6.608
  491    HZ3  LYS 602           HZ3      LYS 602  78.084  -3.030   6.694
  492    H    LEU 603           HN       LEU 603  71.409  -1.651  10.735
  493    HA   LEU 603           HA       LEU 603  72.083   0.162  12.940
  494    HB2  LEU 603           HB2      LEU 603  69.264  -0.452  12.104
  495    HB3  LEU 603           HB1      LEU 603  69.945   1.063  12.674
  496    HG   LEU 603           HG       LEU 603  70.371  -0.212   9.968
  497   HD11  LEU 603          HD11      LEU 603  69.128   2.420  10.802
  498   HD12  LEU 603          HD12      LEU 603  68.235   0.990  10.284
  499   HD13  LEU 603          HD13      LEU 603  69.289   1.833   9.147
  500   HD21  LEU 603          HD21      LEU 603  71.660   2.229  11.221
  501   HD22  LEU 603          HD22      LEU 603  71.697   1.881   9.491
  502   HD23  LEU 603          HD23      LEU 603  72.479   0.783  10.627
  503    H    PHE 604           HN       PHE 604  69.768  -2.526  12.536
  504    HA   PHE 604           HA       PHE 604  69.276  -2.760  15.370
  505    HB2  PHE 604           HB2      PHE 604  67.823  -3.541  13.347
  506    HB3  PHE 604           HB1      PHE 604  68.814  -4.998  13.413
  507    HD1  PHE 604           HD1      PHE 604  66.667  -2.774  15.517
  508    HD2  PHE 604           HD2      PHE 604  68.367  -6.686  15.005
  509    HE1  PHE 604           HE1      PHE 604  65.304  -3.614  17.410
  510    HE2  PHE 604           HE2      PHE 604  67.004  -7.525  16.898
  511    HZ   PHE 604           HZ       PHE 604  65.473  -5.990  18.101
  512    H    CYS 605           HN       CYS 605  71.742  -3.972  13.264
  513    HA   CYS 605           HA       CYS 605  72.904  -5.455  15.565
  514    HB2  CYS 605           HB2      CYS 605  71.557  -6.956  13.880
  515    HB3  CYS 605           HB1      CYS 605  72.969  -6.741  12.847
  516    HG   CYS 605           HG       CYS 605  74.364  -7.642  15.046
  Start of MODEL    2
    1    H    TYR 541           HT1      TYR 541  34.149   3.736 -14.206
    2    HA   TYR 541           HA       TYR 541  34.709   2.923 -16.476
    3    HB2  TYR 541           HB2      TYR 541  37.158   4.640 -15.953
    4    HB3  TYR 541           HB1      TYR 541  36.989   3.489 -17.280
    5    HD1  TYR 541           HD1      TYR 541  35.998   6.767 -15.976
    6    HD2  TYR 541           HD2      TYR 541  35.352   3.883 -19.096
    7    HE1  TYR 541           HE1      TYR 541  34.836   8.489 -17.329
    8    HE2  TYR 541           HE2      TYR 541  34.190   5.607 -20.447
    9    HH   TYR 541           HH       TYR 541  34.436   8.515 -20.319
   10    H    HIS 542           HN       HIS 542  36.702   3.556 -13.605
   11    HA   HIS 542           HA       HIS 542  36.884   0.673 -13.101
   12    HB2  HIS 542           HB2      HIS 542  38.815   1.417 -14.709
   13    HB3  HIS 542           HB1      HIS 542  39.509   2.139 -13.259
   14    HD1  HIS 542           HD1      HIS 542  40.935   0.596 -11.922
   15    HD2  HIS 542           HD2      HIS 542  38.113  -1.495 -14.168
   16    HE1  HIS 542           HE1      HIS 542  41.370  -1.865 -11.508
   17    H    GLU 543           HN       GLU 543  38.801   0.636 -11.160
   18    HA   GLU 543           HA       GLU 543  37.996   2.781  -9.236
   19    HB2  GLU 543           HB2      GLU 543  38.319  -0.169  -8.598
   20    HB3  GLU 543           HB1      GLU 543  37.868   1.100  -7.460
   21    HG2  GLU 543           HG2      GLU 543  35.734   0.510  -7.982
   22    HG3  GLU 543           HG1      GLU 543  36.003   1.468  -9.437
   23    H    ARG 544           HN       ARG 544  40.282   0.061  -9.653
   24    HA   ARG 544           HA       ARG 544  42.458   1.891  -8.723
   25    HB2  ARG 544           HB2      ARG 544  41.795   0.240  -6.952
   26    HB3  ARG 544           HB1      ARG 544  42.225  -1.060  -8.059
   27    HG2  ARG 544           HG2      ARG 544  44.255  -0.876  -7.009
   28    HG3  ARG 544           HG1      ARG 544  44.495   0.396  -8.206
   29    HD2  ARG 544           HD2      ARG 544  44.083   2.106  -6.667
   30    HD3  ARG 544           HD1      ARG 544  43.172   1.049  -5.589
   31    HE   ARG 544           HE       ARG 544  45.741  -0.010  -5.565
   32   HH11  ARG 544          HH11      ARG 544  47.311   0.624  -4.079
   33   HH12  ARG 544          HH12      ARG 544  47.200   2.183  -3.331
   34   HH21  ARG 544          HH21      ARG 544  44.293   3.072  -4.990
   35   HH22  ARG 544          HH22      ARG 544  45.495   3.566  -3.846
   36    H    ARG 545           HN       ARG 545  43.066   2.246 -10.923
   37    HA   ARG 545           HA       ARG 545  43.615   0.026 -12.722
   38    HB2  ARG 545           HB2      ARG 545  44.624   2.875 -12.940
   39    HB3  ARG 545           HB1      ARG 545  44.434   1.704 -14.246
   40    HG2  ARG 545           HG2      ARG 545  41.932   1.650 -13.533
   41    HG3  ARG 545           HG1      ARG 545  42.298   3.162 -12.701
   42    HD2  ARG 545           HD2      ARG 545  42.639   4.323 -14.663
   43    HD3  ARG 545           HD1      ARG 545  43.211   2.897 -15.531
   44    HE   ARG 545           HE       ARG 545  40.535   2.355 -15.059
   45   HH11  ARG 545          HH11      ARG 545  38.900   2.922 -16.500
   46   HH12  ARG 545          HH12      ARG 545  39.145   4.240 -17.596
   47   HH21  ARG 545          HH21      ARG 545  42.344   4.936 -16.469
   48   HH22  ARG 545          HH22      ARG 545  41.091   5.378 -17.578
   49    H    GLY 546           HN       GLY 546  45.253   1.304 -10.061
   50    HA2  GLY 546           HA2      GLY 546  47.515  -0.409 -10.386
   51    HA3  GLY 546           HA1      GLY 546  47.969   1.231 -10.848
   52    H    SER 547           HN       SER 547  49.017  -0.186  -8.587
   53    HA   SER 547           HA       SER 547  47.711   0.797  -6.166
   54    HB2  SER 547           HB2      SER 547  49.834  -1.026  -6.857
   55    HB3  SER 547           HB1      SER 547  50.391   0.083  -5.608
   56    HG   SER 547           HG       SER 547  49.127  -1.954  -5.041
   57    H    LEU 548           HN       LEU 548  48.031   2.799  -5.272
   58    HA   LEU 548           HA       LEU 548  49.775   4.712  -6.559
   59    HB2  LEU 548           HB2      LEU 548  48.011   4.744  -4.133
   60    HB3  LEU 548           HB1      LEU 548  49.194   6.028  -4.345
   61    HG   LEU 548           HG       LEU 548  48.266   6.605  -6.516
   62   HD11  LEU 548          HD11      LEU 548  46.581   4.146  -6.055
   63   HD12  LEU 548          HD12      LEU 548  47.596   4.535  -7.443
   64   HD13  LEU 548          HD13      LEU 548  46.086   5.407  -7.183
   65   HD21  LEU 548          HD21      LEU 548  46.026   6.219  -4.505
   66   HD22  LEU 548          HD22      LEU 548  46.064   7.401  -5.814
   67   HD23  LEU 548          HD23      LEU 548  47.192   7.542  -4.465
   68    H    CYS 549           HN       CYS 549  51.805   5.377  -5.962
   69    HA   CYS 549           HA       CYS 549  53.291   3.694  -4.078
   70    HB2  CYS 549           HB2      CYS 549  54.728   4.241  -5.787
   71    HB3  CYS 549           HB1      CYS 549  53.932   5.777  -6.107
   72    H    SER 550           HN       SER 550  53.008   4.147  -1.939
   73    HA   SER 550           HA       SER 550  51.953   6.517  -0.872
   74    HB2  SER 550           HB2      SER 550  54.021   4.727   0.438
   75    HB3  SER 550           HB1      SER 550  52.966   5.861   1.272
   76    HG   SER 550           HG       SER 550  52.378   3.426   0.007
   77    H    GLY 551           HN       GLY 551  52.716   8.482  -1.227
   78    HA2  GLY 551           HA2      GLY 551  54.605  10.063  -0.547
   79    HA3  GLY 551           HA1      GLY 551  55.674   8.918  -1.373
   80    H    CYS 552           HN       CYS 552  53.754   8.289  -3.451
   81    HA   CYS 552           HA       CYS 552  53.999  10.772  -5.098
   82    HB2  CYS 552           HB2      CYS 552  54.032   7.833  -5.700
   83    HB3  CYS 552           HB1      CYS 552  53.466   8.948  -6.942
   84    H    GLN 553           HN       GLN 553  51.784   8.356  -3.855
   85    HA   GLN 553           HA       GLN 553  49.455   8.204  -3.909
   86    HB2  GLN 553           HB2      GLN 553  49.934  11.164  -4.263
   87    HB3  GLN 553           HB1      GLN 553  48.298  10.508  -4.305
   88    HG2  GLN 553           HG2      GLN 553  49.122  11.290  -2.017
   89    HG3  GLN 553           HG1      GLN 553  48.478   9.655  -2.082
   90   HE21  GLN 553          HE21      GLN 553  51.340  11.542  -1.481
   91   HE22  GLN 553          HE22      GLN 553  52.369  10.246  -1.113
   92    H    LYS 554           HN       LYS 554  51.060   7.765  -6.304
   93    HA   LYS 554           HA       LYS 554  48.911   8.093  -8.343
   94    HB2  LYS 554           HB2      LYS 554  51.888   8.572  -8.722
   95    HB3  LYS 554           HB1      LYS 554  50.746   8.407 -10.055
   96    HG2  LYS 554           HG2      LYS 554  50.497  10.475  -7.851
   97    HG3  LYS 554           HG1      LYS 554  51.209  10.794  -9.432
   98    HD2  LYS 554           HD2      LYS 554  48.978   9.856 -10.382
   99    HD3  LYS 554           HD1      LYS 554  48.348  10.126  -8.757
  100    HE2  LYS 554           HE2      LYS 554  49.688  12.243 -10.468
  101    HE3  LYS 554           HE1      LYS 554  47.946  12.076 -10.248
  102    HZ1  LYS 554           HZ1      LYS 554  48.166  13.330  -8.449
  103    HZ2  LYS 554           HZ2      LYS 554  49.862  13.287  -8.536
  104    HZ3  LYS 554           HZ3      LYS 554  49.019  12.062  -7.714
  105    HA   PRO 555           HA       PRO 555  49.187   3.707  -8.660
  106    HB2  PRO 555           HB2      PRO 555  49.297   4.020 -11.585
  107    HB3  PRO 555           HB1      PRO 555  48.114   3.178 -10.577
  108    HG2  PRO 555           HG2      PRO 555  47.716   5.639 -11.821
  109    HG3  PRO 555           HG1      PRO 555  46.744   4.996 -10.495
  110    HD2  PRO 555           HD2      PRO 555  48.586   7.252 -10.456
  111    HD3  PRO 555           HD1      PRO 555  47.502   6.685  -9.160
  112    H    ILE 556           HN       ILE 556  50.641   2.050  -9.147
  113    HA   ILE 556           HA       ILE 556  53.370   2.968  -9.919
  114    HB   ILE 556           HB       ILE 556  52.372   0.638  -8.256
  115   HG12  ILE 556          HG12      ILE 556  54.300   2.797  -7.408
  116   HG13  ILE 556          HG11      ILE 556  52.567   3.109  -7.391
  117   HG21  ILE 556          HG21      ILE 556  54.886   0.296  -7.863
  118   HG22  ILE 556          HG22      ILE 556  55.142   1.313  -9.280
  119   HG23  ILE 556          HG23      ILE 556  54.269  -0.211  -9.436
  120   HD11  ILE 556          HD11      ILE 556  52.712   0.647  -6.164
  121   HD12  ILE 556          HD12      ILE 556  52.620   2.190  -5.316
  122   HD13  ILE 556          HD13      ILE 556  54.186   1.431  -5.595
  123    H    THR 557           HN       THR 557  53.248   2.718 -12.168
  124    HA   THR 557           HA       THR 557  52.145   0.294 -13.366
  125    HB   THR 557           HB       THR 557  53.071   1.305 -15.491
  126    HG1  THR 557           HG1      THR 557  54.766   2.437 -14.316
  127   HG21  THR 557          HG21      THR 557  51.231   2.799 -13.630
  128   HG22  THR 557          HG22      THR 557  50.828   1.860 -15.068
  129   HG23  THR 557          HG23      THR 557  51.595   3.439 -15.234
  130    H    GLY 558           HN       GLY 558  53.295  -1.526 -12.908
  131    HA2  GLY 558           HA2      GLY 558  55.230  -2.805 -13.963
  132    HA3  GLY 558           HA1      GLY 558  56.250  -1.490 -13.369
  133    H    ARG 559           HN       ARG 559  57.448  -2.876 -11.946
  134    HA   ARG 559           HA       ARG 559  56.226  -4.638 -10.043
  135    HB2  ARG 559           HB2      ARG 559  58.909  -3.310 -10.300
  136    HB3  ARG 559           HB1      ARG 559  58.489  -4.088  -8.776
  137    HG2  ARG 559           HG2      ARG 559  57.915  -5.653 -11.231
  138    HG3  ARG 559           HG1      ARG 559  59.617  -5.414 -10.854
  139    HD2  ARG 559           HD2      ARG 559  59.448  -6.503  -8.784
  140    HD3  ARG 559           HD1      ARG 559  57.703  -6.297  -8.696
  141    HE   ARG 559           HE       ARG 559  59.070  -8.560  -9.772
  142   HH11  ARG 559          HH11      ARG 559  58.163  -9.969 -11.254
  143   HH12  ARG 559          HH12      ARG 559  56.741  -9.502 -12.125
  144   HH21  ARG 559          HH21      ARG 559  56.503  -6.401 -10.612
  145   HH22  ARG 559          HH22      ARG 559  55.808  -7.488 -11.765
  146    H    CYS 560           HN       CYS 560  56.180  -4.212  -7.640
  147    HA   CYS 560           HA       CYS 560  56.045  -1.386  -6.840
  148    HB2  CYS 560           HB2      CYS 560  53.716  -1.412  -6.198
  149    HB3  CYS 560           HB1      CYS 560  53.814  -1.887  -7.892
  150    HG   CYS 560           HG       CYS 560  53.896  -4.375  -6.233
  151    H    ILE 561           HN       ILE 561  56.469  -1.159  -4.704
  152    HA   ILE 561           HA       ILE 561  56.988  -3.628  -3.158
  153    HB   ILE 561           HB       ILE 561  57.448  -0.839  -2.123
  154   HG12  ILE 561          HG12      ILE 561  58.336  -0.900  -4.455
  155   HG13  ILE 561          HG11      ILE 561  59.621  -0.778  -3.260
  156   HG21  ILE 561          HG21      ILE 561  59.590  -2.266  -1.397
  157   HG22  ILE 561          HG22      ILE 561  58.466  -3.601  -1.637
  158   HG23  ILE 561          HG23      ILE 561  58.082  -2.324  -0.483
  159   HD11  ILE 561          HD11      ILE 561  59.986  -3.222  -3.405
  160   HD12  ILE 561          HD12      ILE 561  60.195  -2.445  -4.974
  161   HD13  ILE 561          HD13      ILE 561  58.713  -3.332  -4.621
  162    H    THR 562           HN       THR 562  56.051  -3.970  -1.073
  163    HA   THR 562           HA       THR 562  53.657  -2.288  -0.457
  164    HB   THR 562           HB       THR 562  53.834  -5.314  -0.291
  165    HG1  THR 562           HG1      THR 562  53.551  -4.345  -2.401
  166   HG21  THR 562          HG21      THR 562  51.289  -4.921   0.130
  167   HG22  THR 562          HG22      THR 562  51.786  -3.293   0.591
  168   HG23  THR 562          HG23      THR 562  52.414  -4.688   1.468
  169    H    ALA 563           HN       ALA 563  54.348  -1.258   1.358
  170    HA   ALA 563           HA       ALA 563  55.981  -2.708   3.348
  171    HB1  ALA 563           HB1      ALA 563  54.971   0.145   3.452
  172    HB2  ALA 563           HB2      ALA 563  56.471  -0.327   2.655
  173    HB3  ALA 563           HB3      ALA 563  56.288  -0.554   4.395
  174    H    MET 564           HN       MET 564  54.444  -0.624   5.230
  175    HA   MET 564           HA       MET 564  52.752  -2.631   6.459
  176    HB2  MET 564           HB2      MET 564  52.921   0.362   6.915
  177    HB3  MET 564           HB1      MET 564  52.099  -0.781   7.974
  178    HG2  MET 564           HG2      MET 564  54.169  -1.888   8.517
  179    HG3  MET 564           HG1      MET 564  55.040  -0.988   7.277
  180    HE1  MET 564           HE1      MET 564  55.425   2.487   8.443
  181    HE2  MET 564           HE2      MET 564  55.059   1.420   7.090
  182    HE3  MET 564           HE3      MET 564  56.524   1.162   8.035
  183    H    ALA 565           HN       ALA 565  51.768  -2.767   4.103
  184    HA   ALA 565           HA       ALA 565  49.702  -2.707   2.966
  185    HB1  ALA 565           HB1      ALA 565  47.803  -1.923   4.026
  186    HB2  ALA 565           HB2      ALA 565  48.621  -0.502   4.674
  187    HB3  ALA 565           HB3      ALA 565  48.854  -2.077   5.432
  188    H    LYS 566           HN       LYS 566  51.813  -0.164   3.612
  189    HA   LYS 566           HA       LYS 566  50.616   1.715   1.669
  190    HB2  LYS 566           HB2      LYS 566  52.778   1.788   3.700
  191    HB3  LYS 566           HB1      LYS 566  53.071   2.747   2.251
  192    HG2  LYS 566           HG2      LYS 566  50.858   3.840   2.550
  193    HG3  LYS 566           HG1      LYS 566  50.621   2.917   4.034
  194    HD2  LYS 566           HD2      LYS 566  53.081   4.620   3.655
  195    HD3  LYS 566           HD1      LYS 566  51.573   5.326   4.235
  196    HE2  LYS 566           HE2      LYS 566  51.681   4.248   6.257
  197    HE3  LYS 566           HE1      LYS 566  52.445   2.815   5.569
  198    HZ1  LYS 566           HZ1      LYS 566  54.494   4.142   5.317
  199    HZ2  LYS 566           HZ2      LYS 566  54.019   3.952   6.937
  200    HZ3  LYS 566           HZ3      LYS 566  53.743   5.424   6.134
  201    H    LYS 567           HN       LYS 567  51.285   1.836  -0.446
  202    HA   LYS 567           HA       LYS 567  53.332  -0.112  -1.323
  203    HB2  LYS 567           HB2      LYS 567  51.179   1.467  -2.707
  204    HB3  LYS 567           HB1      LYS 567  52.498   0.760  -3.639
  205    HG2  LYS 567           HG2      LYS 567  50.517  -0.752  -3.476
  206    HG3  LYS 567           HG1      LYS 567  51.976  -1.458  -2.780
  207    HD2  LYS 567           HD2      LYS 567  51.240  -1.121  -0.568
  208    HD3  LYS 567           HD1      LYS 567  50.057   0.097  -1.052
  209    HE2  LYS 567           HE2      LYS 567  48.536  -1.484  -1.828
  210    HE3  LYS 567           HE1      LYS 567  49.785  -2.694  -2.112
  211    HZ1  LYS 567           HZ1      LYS 567  48.236  -2.937  -0.085
  212    HZ2  LYS 567           HZ2      LYS 567  49.231  -1.756   0.624
  213    HZ3  LYS 567           HZ3      LYS 567  49.894  -3.234   0.111
  214    H    PHE 568           HN       PHE 568  54.799   0.701  -3.139
  215    HA   PHE 568           HA       PHE 568  55.528   3.558  -3.036
  216    HB2  PHE 568           HB2      PHE 568  57.303   1.371  -1.904
  217    HB3  PHE 568           HB1      PHE 568  57.921   2.943  -2.395
  218    HD1  PHE 568           HD1      PHE 568  55.948   1.101   0.088
  219    HD2  PHE 568           HD2      PHE 568  57.295   4.987  -1.154
  220    HE1  PHE 568           HE1      PHE 568  55.331   2.023   2.305
  221    HE2  PHE 568           HE2      PHE 568  56.673   5.909   1.063
  222    HZ   PHE 568           HZ       PHE 568  55.692   4.427   2.792
  223    H    HIS 569           HN       HIS 569  56.569   4.109  -4.974
  224    HA   HIS 569           HA       HIS 569  56.667   2.236  -7.130
  225    HB2  HIS 569           HB2      HIS 569  58.008   4.900  -6.639
  226    HB3  HIS 569           HB1      HIS 569  58.428   3.946  -8.057
  227    HD2  HIS 569           HD2      HIS 569  55.887   3.236  -9.597
  228    HE1  HIS 569           HE1      HIS 569  54.128   6.906  -8.468
  229    HE2  HIS 569           HE2      HIS 569  53.973   4.936 -10.073
  230    HA   PRO 570           HA       PRO 570  60.099  -0.277  -5.804
  231    HB2  PRO 570           HB2      PRO 570  60.870  -0.348  -8.660
  232    HB3  PRO 570           HB1      PRO 570  60.461  -1.676  -7.568
  233    HG2  PRO 570           HG2      PRO 570  58.794  -0.764  -9.559
  234    HG3  PRO 570           HG1      PRO 570  58.247  -1.614  -8.114
  235    HD2  PRO 570           HD2      PRO 570  57.904   1.222  -8.830
  236    HD3  PRO 570           HD1      PRO 570  57.053   0.261  -7.595
  237    H    GLU 571           HN       GLU 571  60.368   2.720  -7.375
  238    HA   GLU 571           HA       GLU 571  63.319   2.828  -6.935
  239    HB2  GLU 571           HB2      GLU 571  63.379   4.606  -8.564
  240    HB3  GLU 571           HB1      GLU 571  62.452   3.277  -9.261
  241    HG2  GLU 571           HG2      GLU 571  60.453   4.617  -8.025
  242    HG3  GLU 571           HG1      GLU 571  61.539   5.956  -8.376
  243    H    HIS 572           HN       HIS 572  60.279   3.942  -5.783
  244    HA   HIS 572           HA       HIS 572  61.532   6.295  -4.445
  245    HB2  HIS 572           HB2      HIS 572  58.619   5.482  -4.730
  246    HB3  HIS 572           HB1      HIS 572  59.177   6.896  -3.834
  247    HD2  HIS 572           HD2      HIS 572  61.592   7.368  -6.347
  248    HE1  HIS 572           HE1      HIS 572  58.150   8.503  -8.501
  249    HE2  HIS 572           HE2      HIS 572  60.687   8.591  -8.452
  250    H    PHE 573           HN       PHE 573  60.658   3.060  -3.883
  251    HA   PHE 573           HA       PHE 573  60.134   3.319  -1.022
  252    HB2  PHE 573           HB2      PHE 573  59.299   1.387  -2.392
  253    HB3  PHE 573           HB1      PHE 573  60.968   0.879  -2.623
  254    HD1  PHE 573           HD1      PHE 573  58.861   2.036   0.273
  255    HD2  PHE 573           HD2      PHE 573  61.634  -0.870  -1.245
  256    HE1  PHE 573           HE1      PHE 573  58.805   0.848   2.448
  257    HE2  PHE 573           HE2      PHE 573  61.580  -2.058   0.930
  258    HZ   PHE 573           HZ       PHE 573  60.164  -1.200   2.776
  259    H    VAL 574           HN       VAL 574  61.966   4.560  -0.363
  260    HA   VAL 574           HA       VAL 574  64.604   3.198  -0.630
  261    HB   VAL 574           HB       VAL 574  65.585   5.381  -0.042
  262   HG11  VAL 574          HG11      VAL 574  63.591   6.143  -2.116
  263   HG12  VAL 574          HG12      VAL 574  64.523   4.678  -2.427
  264   HG13  VAL 574          HG13      VAL 574  65.353   6.212  -2.168
  265   HG21  VAL 574          HG21      VAL 574  64.049   7.361   0.096
  266   HG22  VAL 574          HG22      VAL 574  63.838   6.233   1.435
  267   HG23  VAL 574          HG23      VAL 574  62.678   6.251   0.105
  268    H    CYS 575           HN       CYS 575  66.073   3.634   1.337
  269    HA   CYS 575           HA       CYS 575  64.784   2.479   3.682
  270    HB2  CYS 575           HB2      CYS 575  67.017   1.768   3.191
  271    HB3  CYS 575           HB1      CYS 575  67.594   3.427   3.085
  272    H    ALA 576           HN       ALA 576  64.035   3.579   5.447
  273    HA   ALA 576           HA       ALA 576  63.967   6.483   5.427
  274    HB1  ALA 576           HB1      ALA 576  62.943   6.174   7.719
  275    HB2  ALA 576           HB2      ALA 576  63.198   4.440   7.530
  276    HB3  ALA 576           HB3      ALA 576  62.119   5.297   6.431
  277    H    PHE 577           HN       PHE 577  66.645   5.559   5.345
  278    HA   PHE 577           HA       PHE 577  67.712   6.841   7.798
  279    HB2  PHE 577           HB2      PHE 577  67.697   4.203   7.882
  280    HB3  PHE 577           HB1      PHE 577  69.058   4.352   6.775
  281    HD1  PHE 577           HD1      PHE 577  71.196   4.566   7.678
  282    HD2  PHE 577           HD2      PHE 577  67.808   5.827  10.001
  283    HE1  PHE 577           HE1      PHE 577  72.694   5.076   9.587
  284    HE2  PHE 577           HE2      PHE 577  69.307   6.336  11.909
  285    HZ   PHE 577           HZ       PHE 577  71.749   5.961  11.702
  286    H    CYS 578           HN       CYS 578  68.858   5.106   4.899
  287    HA   CYS 578           HA       CYS 578  70.746   7.343   4.361
  288    HB2  CYS 578           HB2      CYS 578  71.542   5.675   2.545
  289    HB3  CYS 578           HB1      CYS 578  71.869   5.263   4.227
  290    H    LEU 579           HN       LEU 579  67.766   5.988   3.317
  291    HA   LEU 579           HA       LEU 579  66.308   6.511   1.568
  292    HB2  LEU 579           HB2      LEU 579  67.853   9.122   1.646
  293    HB3  LEU 579           HB1      LEU 579  66.283   8.880   0.882
  294    HG   LEU 579           HG       LEU 579  65.840   7.879   3.408
  295   HD11  LEU 579          HD11      LEU 579  68.127   8.768   4.040
  296   HD12  LEU 579          HD12      LEU 579  66.798   9.386   5.018
  297   HD13  LEU 579          HD13      LEU 579  67.499  10.390   3.749
  298   HD21  LEU 579          HD21      LEU 579  64.347   9.381   2.174
  299   HD22  LEU 579          HD22      LEU 579  65.472  10.720   2.400
  300   HD23  LEU 579          HD23      LEU 579  64.635  10.027   3.790
  301    H    LYS 580           HN       LYS 580  69.144   5.461   0.950
  302    HA   LYS 580           HA       LYS 580  69.824   6.574  -1.643
  303    HB2  LYS 580           HB2      LYS 580  71.346   4.640  -1.824
  304    HB3  LYS 580           HB1      LYS 580  71.493   5.402  -0.241
  305    HG2  LYS 580           HG2      LYS 580  69.710   3.664   0.520
  306    HG3  LYS 580           HG1      LYS 580  70.139   2.804  -0.958
  307    HD2  LYS 580           HD2      LYS 580  72.583   3.552   0.274
  308    HD3  LYS 580           HD1      LYS 580  71.555   2.893   1.547
  309    HE2  LYS 580           HE2      LYS 580  72.776   1.055   0.555
  310    HE3  LYS 580           HE1      LYS 580  71.090   0.921   0.056
  311    HZ1  LYS 580           HZ1      LYS 580  71.646   1.198  -2.062
  312    HZ2  LYS 580           HZ2      LYS 580  73.267   0.994  -1.595
  313    HZ3  LYS 580           HZ3      LYS 580  72.607   2.555  -1.725
  314    H    GLN 581           HN       GLN 581  68.326   3.493  -0.642
  315    HA   GLN 581           HA       GLN 581  66.291   3.491  -2.616
  316    HB2  GLN 581           HB2      GLN 581  68.777   2.921  -3.764
  317    HB3  GLN 581           HB1      GLN 581  68.068   1.334  -3.488
  318    HG2  GLN 581           HG2      GLN 581  66.060   3.132  -4.523
  319    HG3  GLN 581           HG1      GLN 581  67.468   3.137  -5.583
  320   HE21  GLN 581          HE21      GLN 581  64.871   1.137  -4.293
  321   HE22  GLN 581          HE22      GLN 581  65.136  -0.190  -5.316
  322    H    LEU 582           HN       LEU 582  65.124   1.358  -2.556
  323    HA   LEU 582           HA       LEU 582  66.092  -0.618  -0.632
  324    HB2  LEU 582           HB2      LEU 582  64.966   1.461   0.579
  325    HB3  LEU 582           HB1      LEU 582  63.481   0.619   0.146
  326    HG   LEU 582           HG       LEU 582  64.492  -1.458   1.177
  327   HD11  LEU 582          HD11      LEU 582  66.244  -0.326   3.020
  328   HD12  LEU 582          HD12      LEU 582  66.701   0.419   1.492
  329   HD13  LEU 582          HD13      LEU 582  66.695  -1.336   1.649
  330   HD21  LEU 582          HD21      LEU 582  62.888  -0.559   2.570
  331   HD22  LEU 582          HD22      LEU 582  63.670   1.019   2.619
  332   HD23  LEU 582          HD23      LEU 582  64.303  -0.308   3.592
  333    H    ASN 583           HN       ASN 583  64.662  -2.473  -0.468
  334    HA   ASN 583           HA       ASN 583  62.393  -2.624  -2.347
  335    HB2  ASN 583           HB2      ASN 583  63.342  -4.627  -3.468
  336    HB3  ASN 583           HB1      ASN 583  64.322  -3.192  -3.764
  337   HD21  ASN 583          HD21      ASN 583  66.290  -2.941  -2.285
  338   HD22  ASN 583          HD22      ASN 583  67.059  -4.350  -1.733
  339    H    LYS 584           HN       LYS 584  60.836  -3.899  -1.445
  340    HA   LYS 584           HA       LYS 584  60.981  -4.953   1.156
  341    HB2  LYS 584           HB2      LYS 584  58.812  -4.697   0.260
  342    HB3  LYS 584           HB1      LYS 584  59.222  -5.565  -1.216
  343    HG2  LYS 584           HG2      LYS 584  57.829  -7.005   0.145
  344    HG3  LYS 584           HG1      LYS 584  59.464  -7.660   0.153
  345    HD2  LYS 584           HD2      LYS 584  58.603  -7.693   2.427
  346    HD3  LYS 584           HD1      LYS 584  59.868  -6.471   2.325
  347    HE2  LYS 584           HE2      LYS 584  58.366  -4.703   2.470
  348    HE3  LYS 584           HE1      LYS 584  57.036  -5.646   1.798
  349    HZ1  LYS 584           HZ1      LYS 584  57.847  -6.883   4.161
  350    HZ2  LYS 584           HZ2      LYS 584  56.379  -6.089   3.848
  351    HZ3  LYS 584           HZ3      LYS 584  57.692  -5.228   4.495
  352    H    GLY 585           HN       GLY 585  62.042  -6.335  -1.861
  353    HA2  GLY 585           HA2      GLY 585  62.150  -9.078  -1.220
  354    HA3  GLY 585           HA1      GLY 585  63.252  -8.277  -2.331
  355    H    THR 586           HN       THR 586  64.328  -6.467  -0.214
  356    HA   THR 586           HA       THR 586  65.603  -8.400   1.646
  357    HB   THR 586           HB       THR 586  67.873  -7.664   1.004
  358    HG1  THR 586           HG1      THR 586  66.502  -6.325  -1.089
  359   HG21  THR 586          HG21      THR 586  66.813  -9.666  -0.069
  360   HG22  THR 586          HG22      THR 586  68.015  -8.881  -1.093
  361   HG23  THR 586          HG23      THR 586  66.297  -8.630  -1.400
  362    H    PHE 587           HN       PHE 587  63.799  -6.067   2.037
  363    HA   PHE 587           HA       PHE 587  65.676  -4.169   3.365
  364    HB2  PHE 587           HB2      PHE 587  64.138  -2.518   3.061
  365    HB3  PHE 587           HB1      PHE 587  63.490  -3.585   1.833
  366    HD1  PHE 587           HD1      PHE 587  62.003  -5.619   3.070
  367    HD2  PHE 587           HD2      PHE 587  62.503  -1.568   4.412
  368    HE1  PHE 587           HE1      PHE 587  59.888  -5.779   4.351
  369    HE2  PHE 587           HE2      PHE 587  60.384  -1.730   5.688
  370    HZ   PHE 587           HZ       PHE 587  59.077  -3.836   5.659
  371    H    LYS 588           HN       LYS 588  64.577  -3.234   5.427
  372    HA   LYS 588           HA       LYS 588  63.291  -5.315   7.095
  373    HB2  LYS 588           HB2      LYS 588  65.969  -4.009   7.609
  374    HB3  LYS 588           HB1      LYS 588  64.974  -4.575   8.947
  375    HG2  LYS 588           HG2      LYS 588  65.736  -6.349   6.612
  376    HG3  LYS 588           HG1      LYS 588  66.705  -6.231   8.079
  377    HD2  LYS 588           HD2      LYS 588  65.372  -7.783   9.016
  378    HD3  LYS 588           HD1      LYS 588  64.062  -6.603   8.976
  379    HE2  LYS 588           HE2      LYS 588  63.340  -7.370   6.808
  380    HE3  LYS 588           HE1      LYS 588  64.763  -8.395   6.636
  381    HZ1  LYS 588           HZ1      LYS 588  64.019  -9.789   8.377
  382    HZ2  LYS 588           HZ2      LYS 588  62.690  -9.563   7.344
  383    HZ3  LYS 588           HZ3      LYS 588  62.779  -8.718   8.815
  384    H    GLU 589           HN       GLU 589  62.524  -4.179   9.211
  385    HA   GLU 589           HA       GLU 589  62.229  -1.253   8.791
  386    HB2  GLU 589           HB2      GLU 589  59.918  -1.245   8.824
  387    HB3  GLU 589           HB1      GLU 589  60.211  -2.761   7.973
  388    HG2  GLU 589           HG2      GLU 589  60.171  -3.851  10.323
  389    HG3  GLU 589           HG1      GLU 589  59.422  -2.346  10.856
  390    H    GLN 590           HN       GLN 590  61.846  -0.069  10.669
  391    HA   GLN 590           HA       GLN 590  61.710  -1.424  13.275
  392    HB2  GLN 590           HB2      GLN 590  64.177  -1.275  12.575
  393    HB3  GLN 590           HB1      GLN 590  63.999   0.472  12.695
  394    HG2  GLN 590           HG2      GLN 590  64.829  -0.213  14.813
  395    HG3  GLN 590           HG1      GLN 590  63.110   0.077  15.064
  396   HE21  GLN 590          HE21      GLN 590  64.582  -2.772  13.469
  397   HE22  GLN 590          HE22      GLN 590  64.019  -3.897  14.608
  398    H    ASN 591           HN       ASN 591  60.977   0.053  14.897
  399    HA   ASN 591           HA       ASN 591  59.761   1.910  15.646
  400    HB2  ASN 591           HB2      ASN 591  61.831   3.187  13.852
  401    HB3  ASN 591           HB1      ASN 591  60.684   4.138  14.788
  402   HD21  ASN 591          HD21      ASN 591  63.774   2.911  14.937
  403   HD22  ASN 591          HD22      ASN 591  63.952   2.807  16.622
  404    H    ASP 592           HN       ASP 592  59.051   0.542  12.943
  405    HA   ASP 592           HA       ASP 592  57.126   0.744  11.596
  406    HB2  ASP 592           HB2      ASP 592  56.447   2.417  13.562
  407    HB3  ASP 592           HB1      ASP 592  56.715   3.618  12.297
  408    H    LYS 593           HN       LYS 593  59.892   1.484  10.788
  409    HA   LYS 593           HA       LYS 593  59.107   2.950   8.342
  410    HB2  LYS 593           HB2      LYS 593  61.643   4.005   8.892
  411    HB3  LYS 593           HB1      LYS 593  60.108   4.863   8.970
  412    HG2  LYS 593           HG2      LYS 593  59.902   3.978  11.367
  413    HG3  LYS 593           HG1      LYS 593  61.599   3.520  11.226
  414    HD2  LYS 593           HD2      LYS 593  62.178   5.858  10.660
  415    HD3  LYS 593           HD1      LYS 593  60.483   6.312  10.837
  416    HE2  LYS 593           HE2      LYS 593  60.541   5.554  13.198
  417    HE3  LYS 593           HE1      LYS 593  62.251   5.159  13.015
  418    HZ1  LYS 593           HZ1      LYS 593  60.946   7.794  13.048
  419    HZ2  LYS 593           HZ2      LYS 593  62.409   7.597  12.207
  420    HZ3  LYS 593           HZ3      LYS 593  62.333   7.273  13.873
  421    HA   PRO 594           HA       PRO 594  61.641  -0.101   6.434
  422    HB2  PRO 594           HB2      PRO 594  62.586   1.329   4.285
  423    HB3  PRO 594           HB1      PRO 594  60.955   0.661   4.404
  424    HG2  PRO 594           HG2      PRO 594  61.877   3.469   4.764
  425    HG3  PRO 594           HG1      PRO 594  60.356   2.862   4.104
  426    HD2  PRO 594           HD2      PRO 594  60.635   3.908   6.660
  427    HD3  PRO 594           HD1      PRO 594  59.353   2.766   6.185
  428    H    TYR 595           HN       TYR 595  63.765  -0.757   6.039
  429    HA   TYR 595           HA       TYR 595  66.049   1.040   6.318
  430    HB2  TYR 595           HB2      TYR 595  65.339  -0.953   8.500
  431    HB3  TYR 595           HB1      TYR 595  66.955  -0.286   8.299
  432    HD1  TYR 595           HD1      TYR 595  63.846   0.154   9.905
  433    HD2  TYR 595           HD2      TYR 595  67.052   2.361   8.095
  434    HE1  TYR 595           HE1      TYR 595  63.173   2.174  11.171
  435    HE2  TYR 595           HE2      TYR 595  66.373   4.383   9.363
  436    HH   TYR 595           HH       TYR 595  64.348   5.276  10.443
  437    H    CYS 596           HN       CYS 596  67.529   0.133   4.890
  438    HA   CYS 596           HA       CYS 596  67.145  -2.333   3.587
  439    HB2  CYS 596           HB2      CYS 596  69.971  -1.529   4.092
  440    HB3  CYS 596           HB1      CYS 596  69.189  -1.983   2.582
  441    H    GLN 597           HN       GLN 597  67.886  -4.437   4.006
  442    HA   GLN 597           HA       GLN 597  67.962  -5.353   6.655
  443    HB2  GLN 597           HB2      GLN 597  67.773  -7.179   5.298
  444    HB3  GLN 597           HB1      GLN 597  68.672  -6.400   4.002
  445    HG2  GLN 597           HG2      GLN 597  69.903  -8.358   4.809
  446    HG3  GLN 597           HG1      GLN 597  70.794  -6.890   5.195
  447   HE21  GLN 597          HE21      GLN 597  67.993  -7.308   7.169
  448   HE22  GLN 597          HE22      GLN 597  68.780  -7.918   8.542
  449    H    ASN 598           HN       ASN 598  70.583  -4.213   4.586
  450    HA   ASN 598           HA       ASN 598  72.738  -4.819   6.398
  451    HB2  ASN 598           HB2      ASN 598  73.165  -4.306   4.032
  452    HB3  ASN 598           HB1      ASN 598  72.507  -2.684   4.249
  453   HD21  ASN 598          HD21      ASN 598  75.161  -4.820   5.393
  454   HD22  ASN 598          HD22      ASN 598  76.226  -3.552   5.767
  455    H    CYS 599           HN       CYS 599  70.599  -2.035   5.936
  456    HA   CYS 599           HA       CYS 599  71.877  -0.342   7.902
  457    HB2  CYS 599           HB2      CYS 599  69.203  -0.366   6.521
  458    HB3  CYS 599           HB1      CYS 599  69.431   0.671   7.925
  459    H    PHE 600           HN       PHE 600  68.801  -2.192   8.032
  460    HA   PHE 600           HA       PHE 600  68.274  -2.003  10.785
  461    HB2  PHE 600           HB2      PHE 600  66.674  -3.096   9.377
  462    HB3  PHE 600           HB1      PHE 600  67.864  -4.254   8.797
  463    HD1  PHE 600           HD1      PHE 600  68.686  -6.071  10.287
  464    HD2  PHE 600           HD2      PHE 600  65.519  -3.420  11.473
  465    HE1  PHE 600           HE1      PHE 600  68.040  -7.648  12.087
  466    HE2  PHE 600           HE2      PHE 600  64.875  -5.000  13.273
  467    HZ   PHE 600           HZ       PHE 600  66.135  -7.112  13.580
  468    H    LEU 601           HN       LEU 601  70.341  -4.302   9.062
  469    HA   LEU 601           HA       LEU 601  71.269  -5.804  11.298
  470    HB2  LEU 601           HB2      LEU 601  71.622  -6.511   8.983
  471    HB3  LEU 601           HB1      LEU 601  72.598  -5.083   8.667
  472    HG   LEU 601           HG       LEU 601  74.122  -5.934  10.575
  473   HD11  LEU 601          HD11      LEU 601  74.028  -8.390  10.905
  474   HD12  LEU 601          HD12      LEU 601  72.567  -8.457   9.919
  475   HD13  LEU 601          HD13      LEU 601  72.550  -7.608  11.464
  476   HD21  LEU 601          HD21      LEU 601  74.987  -6.011   8.383
  477   HD22  LEU 601          HD22      LEU 601  73.793  -7.197   7.857
  478   HD23  LEU 601          HD23      LEU 601  75.111  -7.685   8.925
  479    H    LYS 602           HN       LYS 602  72.019  -2.651  10.075
  480    HA   LYS 602           HA       LYS 602  74.434  -2.308  11.731
  481    HB2  LYS 602           HB2      LYS 602  73.603  -1.241   9.329
  482    HB3  LYS 602           HB1      LYS 602  73.233   0.060  10.452
  483    HG2  LYS 602           HG2      LYS 602  75.461   0.469   9.782
  484    HG3  LYS 602           HG1      LYS 602  75.604  -0.280  11.372
  485    HD2  LYS 602           HD2      LYS 602  77.197  -1.422  10.025
  486    HD3  LYS 602           HD1      LYS 602  75.818  -2.517  10.114
  487    HE2  LYS 602           HE2      LYS 602  75.157  -2.078   7.916
  488    HE3  LYS 602           HE1      LYS 602  75.981  -0.519   7.873
  489    HZ1  LYS 602           HZ1      LYS 602  77.250  -2.029   6.589
  490    HZ2  LYS 602           HZ2      LYS 602  77.215  -3.215   7.805
  491    HZ3  LYS 602           HZ3      LYS 602  78.105  -1.786   8.033
  492    H    LEU 603           HN       LEU 603  71.064  -1.190  11.615
  493    HA   LEU 603           HA       LEU 603  71.422   0.534  13.961
  494    HB2  LEU 603           HB2      LEU 603  68.733  -0.258  12.876
  495    HB3  LEU 603           HB1      LEU 603  69.236   1.270  13.582
  496    HG   LEU 603           HG       LEU 603  69.968   0.205  10.850
  497   HD11  LEU 603          HD11      LEU 603  67.727   1.200  11.034
  498   HD12  LEU 603          HD12      LEU 603  68.791   2.229  10.075
  499   HD13  LEU 603          HD13      LEU 603  68.428   2.653  11.748
  500   HD21  LEU 603          HD21      LEU 603  71.115   2.458  10.612
  501   HD22  LEU 603          HD22      LEU 603  71.933   1.321  11.682
  502   HD23  LEU 603          HD23      LEU 603  70.967   2.632  12.361
  503    H    PHE 604           HN       PHE 604  69.371  -2.298  13.239
  504    HA   PHE 604           HA       PHE 604  68.706  -2.746  16.012
  505    HB2  PHE 604           HB2      PHE 604  67.466  -3.507  13.843
  506    HB3  PHE 604           HB1      PHE 604  68.562  -4.887  13.904
  507    HD1  PHE 604           HD1      PHE 604  66.087  -2.967  15.945
  508    HD2  PHE 604           HD2      PHE 604  68.149  -6.692  15.374
  509    HE1  PHE 604           HE1      PHE 604  64.661  -4.022  17.677
  510    HE2  PHE 604           HE2      PHE 604  66.723  -7.747  17.106
  511    HZ   PHE 604           HZ       PHE 604  64.979  -6.412  18.258
  512    H    CYS 605           HN       CYS 605  71.406  -3.627  14.033
  513    HA   CYS 605           HA       CYS 605  72.517  -5.159  16.326
  514    HB2  CYS 605           HB2      CYS 605  71.414  -6.651  14.463
  515    HB3  CYS 605           HB1      CYS 605  72.875  -6.269  13.553
  516    HG   CYS 605           HG       CYS 605  74.177  -7.197  15.798
  Start of MODEL    3
    1    H    TYR 541           HT1      TYR 541  39.464  -5.573 -10.583
    2    HA   TYR 541           HA       TYR 541  37.791  -4.823 -12.913
    3    HB2  TYR 541           HB2      TYR 541  37.226  -5.487 -10.010
    4    HB3  TYR 541           HB1      TYR 541  36.031  -4.768 -11.090
    5    HD1  TYR 541           HD1      TYR 541  35.067  -6.034 -12.939
    6    HD2  TYR 541           HD2      TYR 541  38.032  -7.781 -10.365
    7    HE1  TYR 541           HE1      TYR 541  34.536  -8.279 -13.848
    8    HE2  TYR 541           HE2      TYR 541  37.499 -10.025 -11.276
    9    HH   TYR 541           HH       TYR 541  34.776 -10.747 -12.904
   10    H    HIS 542           HN       HIS 542  38.976  -3.789  -9.707
   11    HA   HIS 542           HA       HIS 542  38.040  -1.056 -10.088
   12    HB2  HIS 542           HB2      HIS 542  39.885  -2.326  -8.043
   13    HB3  HIS 542           HB1      HIS 542  39.367  -0.642  -7.989
   14    HD1  HIS 542           HD1      HIS 542  36.799  -0.195  -7.589
   15    HD2  HIS 542           HD2      HIS 542  37.934  -4.190  -7.231
   16    HE1  HIS 542           HE1      HIS 542  34.870  -1.389  -6.463
   17    H    GLU 543           HN       GLU 543  41.274  -1.363  -8.915
   18    HA   GLU 543           HA       GLU 543  43.306  -0.507  -9.691
   19    HB2  GLU 543           HB2      GLU 543  42.150  -1.233 -12.404
   20    HB3  GLU 543           HB1      GLU 543  43.846  -0.901 -12.059
   21    HG2  GLU 543           HG2      GLU 543  43.812  -3.228 -11.939
   22    HG3  GLU 543           HG1      GLU 543  43.550  -2.795 -10.250
   23    H    ARG 544           HN       ARG 544  41.443   0.466 -12.544
   24    HA   ARG 544           HA       ARG 544  40.867   2.576 -13.369
   25    HB2  ARG 544           HB2      ARG 544  39.932   2.804 -10.976
   26    HB3  ARG 544           HB1      ARG 544  41.395   3.716 -10.621
   27    HG2  ARG 544           HG2      ARG 544  40.006   5.444 -11.284
   28    HG3  ARG 544           HG1      ARG 544  40.723   5.017 -12.839
   29    HD2  ARG 544           HD2      ARG 544  38.813   3.749 -13.486
   30    HD3  ARG 544           HD1      ARG 544  38.168   3.751 -11.844
   31    HE   ARG 544           HE       ARG 544  38.292   6.440 -12.516
   32   HH11  ARG 544          HH11      ARG 544  36.586   7.536 -13.499
   33   HH12  ARG 544          HH12      ARG 544  35.422   6.651 -14.427
   34   HH21  ARG 544          HH21      ARG 544  36.930   3.580 -13.891
   35   HH22  ARG 544          HH22      ARG 544  35.617   4.416 -14.649
   36    H    ARG 545           HN       ARG 545  43.295   3.438 -10.876
   37    HA   ARG 545           HA       ARG 545  44.912   4.673 -13.056
   38    HB2  ARG 545           HB2      ARG 545  45.074   5.117 -10.071
   39    HB3  ARG 545           HB1      ARG 545  45.956   6.007 -11.310
   40    HG2  ARG 545           HG2      ARG 545  42.971   5.866 -11.493
   41    HG3  ARG 545           HG1      ARG 545  43.708   6.947 -10.324
   42    HD2  ARG 545           HD2      ARG 545  43.589   8.339 -12.186
   43    HD3  ARG 545           HD1      ARG 545  45.211   7.667 -12.358
   44    HE   ARG 545           HE       ARG 545  43.578   5.885 -13.739
   45   HH11  ARG 545          HH11      ARG 545  43.133   6.092 -15.935
   46   HH12  ARG 545          HH12      ARG 545  43.255   7.645 -16.691
   47   HH21  ARG 545          HH21      ARG 545  44.200   9.282 -13.789
   48   HH22  ARG 545          HH22      ARG 545  43.857   9.449 -15.478
   49    H    GLY 546           HN       GLY 546  45.625   3.239  -9.871
   50    HA2  GLY 546           HA2      GLY 546  47.035   0.972 -10.622
   51    HA3  GLY 546           HA1      GLY 546  48.199   2.288 -10.788
   52    H    SER 547           HN       SER 547  49.025   3.269  -8.942
   53    HA   SER 547           HA       SER 547  47.909   2.801  -6.294
   54    HB2  SER 547           HB2      SER 547  49.860   0.934  -7.363
   55    HB3  SER 547           HB1      SER 547  50.504   1.760  -5.949
   56    HG   SER 547           HG       SER 547  47.964   0.490  -6.118
   57    H    LEU 548           HN       LEU 548  48.374   4.690  -5.251
   58    HA   LEU 548           HA       LEU 548  50.308   6.550  -6.304
   59    HB2  LEU 548           HB2      LEU 548  48.552   6.468  -3.875
   60    HB3  LEU 548           HB1      LEU 548  49.851   7.651  -3.949
   61    HG   LEU 548           HG       LEU 548  48.987   8.546  -6.044
   62   HD11  LEU 548          HD11      LEU 548  48.104   6.633  -7.146
   63   HD12  LEU 548          HD12      LEU 548  46.711   7.663  -6.822
   64   HD13  LEU 548          HD13      LEU 548  47.026   6.260  -5.802
   65   HD21  LEU 548          HD21      LEU 548  48.028   9.363  -3.884
   66   HD22  LEU 548          HD22      LEU 548  46.727   8.184  -4.052
   67   HD23  LEU 548          HD23      LEU 548  46.890   9.491  -5.225
   68    H    CYS 549           HN       CYS 549  52.390   6.937  -5.674
   69    HA   CYS 549           HA       CYS 549  53.734   4.926  -4.033
   70    HB2  CYS 549           HB2      CYS 549  55.210   5.586  -5.669
   71    HB3  CYS 549           HB1      CYS 549  54.530   7.205  -5.776
   72    H    SER 550           HN       SER 550  53.506   5.110  -1.847
   73    HA   SER 550           HA       SER 550  52.624   7.384  -0.467
   74    HB2  SER 550           HB2      SER 550  54.555   5.288   0.564
   75    HB3  SER 550           HB1      SER 550  53.609   6.388   1.560
   76    HG   SER 550           HG       SER 550  52.775   4.233  -0.054
   77    H    GLY 551           HN       GLY 551  53.523   9.325  -0.589
   78    HA2  GLY 551           HA2      GLY 551  55.499  10.684   0.272
   79    HA3  GLY 551           HA1      GLY 551  56.505   9.567  -0.664
   80    H    CYS 552           HN       CYS 552  54.518   9.350  -2.815
   81    HA   CYS 552           HA       CYS 552  55.046  11.966  -4.165
   82    HB2  CYS 552           HB2      CYS 552  54.859   9.128  -5.080
   83    HB3  CYS 552           HB1      CYS 552  54.322  10.383  -6.195
   84    H    GLN 553           HN       GLN 553  52.563   9.682  -3.215
   85    HA   GLN 553           HA       GLN 553  50.229   9.800  -3.297
   86    HB2  GLN 553           HB2      GLN 553  50.896  12.751  -3.554
   87    HB3  GLN 553           HB1      GLN 553  49.258  12.132  -3.354
   88    HG2  GLN 553           HG2      GLN 553  49.960  12.643  -1.152
   89    HG3  GLN 553           HG1      GLN 553  50.163  10.899  -1.279
   90   HE21  GLN 553          HE21      GLN 553  52.013  10.489  -0.026
   91   HE22  GLN 553          HE22      GLN 553  53.503  11.276  -0.232
   92    H    LYS 554           HN       LYS 554  51.846   9.436  -5.733
   93    HA   LYS 554           HA       LYS 554  49.757  10.170  -7.730
   94    HB2  LYS 554           HB2      LYS 554  52.769  10.388  -8.068
   95    HB3  LYS 554           HB1      LYS 554  51.618  10.497  -9.399
   96    HG2  LYS 554           HG2      LYS 554  51.558  12.309  -6.968
   97    HG3  LYS 554           HG1      LYS 554  52.342  12.733  -8.489
   98    HD2  LYS 554           HD2      LYS 554  50.040  12.147  -9.567
   99    HD3  LYS 554           HD1      LYS 554  49.412  12.327  -7.929
  100    HE2  LYS 554           HE2      LYS 554  50.403  14.600  -7.814
  101    HE3  LYS 554           HE1      LYS 554  50.966  14.422  -9.477
  102    HZ1  LYS 554           HZ1      LYS 554  48.698  14.175 -10.208
  103    HZ2  LYS 554           HZ2      LYS 554  48.853  15.621  -9.328
  104    HZ3  LYS 554           HZ3      LYS 554  48.129  14.260  -8.612
  105    HA   PRO 555           HA       PRO 555  49.633   5.827  -8.499
  106    HB2  PRO 555           HB2      PRO 555  49.731   6.452 -11.376
  107    HB3  PRO 555           HB1      PRO 555  48.491   5.604 -10.444
  108    HG2  PRO 555           HG2      PRO 555  48.291   8.212 -11.401
  109    HG3  PRO 555           HG1      PRO 555  47.288   7.515 -10.126
  110    HD2  PRO 555           HD2      PRO 555  49.328   9.585  -9.895
  111    HD3  PRO 555           HD1      PRO 555  48.212   8.984  -8.642
  112    H    ILE 556           HN       ILE 556  50.949   4.122  -9.177
  113    HA   ILE 556           HA       ILE 556  53.731   4.903  -9.903
  114    HB   ILE 556           HB       ILE 556  52.566   2.477  -8.511
  115   HG12  ILE 556          HG12      ILE 556  54.659   4.358  -7.433
  116   HG13  ILE 556          HG11      ILE 556  52.960   4.816  -7.374
  117   HG21  ILE 556          HG21      ILE 556  55.372   3.061  -9.491
  118   HG22  ILE 556          HG22      ILE 556  54.388   1.632  -9.806
  119   HG23  ILE 556          HG23      ILE 556  55.052   1.908  -8.196
  120   HD11  ILE 556          HD11      ILE 556  54.413   2.840  -5.766
  121   HD12  ILE 556          HD12      ILE 556  52.916   2.208  -6.447
  122   HD13  ILE 556          HD13      ILE 556  52.883   3.651  -5.435
  123    H    THR 557           HN       THR 557  53.560   4.939 -12.163
  124    HA   THR 557           HA       THR 557  52.273   2.753 -13.614
  125    HB   THR 557           HB       THR 557  53.218   3.955 -15.627
  126    HG1  THR 557           HG1      THR 557  55.019   4.834 -14.471
  127   HG21  THR 557          HG21      THR 557  51.877   6.107 -15.126
  128   HG22  THR 557          HG22      THR 557  51.549   5.378 -13.553
  129   HG23  THR 557          HG23      THR 557  51.015   4.571 -15.027
  130    H    GLY 558           HN       GLY 558  53.323   0.830 -13.367
  131    HA2  GLY 558           HA2      GLY 558  55.155  -0.423 -14.637
  132    HA3  GLY 558           HA1      GLY 558  56.263   0.740 -13.902
  133    H    ARG 559           HN       ARG 559  57.386  -0.887 -12.687
  134    HA   ARG 559           HA       ARG 559  56.077  -2.797 -10.999
  135    HB2  ARG 559           HB2      ARG 559  58.831  -1.602 -11.124
  136    HB3  ARG 559           HB1      ARG 559  58.376  -2.541  -9.704
  137    HG2  ARG 559           HG2      ARG 559  57.680  -3.761 -12.316
  138    HG3  ARG 559           HG1      ARG 559  59.404  -3.652 -11.962
  139    HD2  ARG 559           HD2      ARG 559  59.119  -4.854  -9.880
  140    HD3  ARG 559           HD1      ARG 559  57.363  -4.818 -10.048
  141    HE   ARG 559           HE       ARG 559  58.227  -6.101 -12.350
  142   HH11  ARG 559          HH11      ARG 559  58.478  -8.336 -12.483
  143   HH12  ARG 559          HH12      ARG 559  58.759  -9.253 -11.041
  144   HH21  ARG 559          HH21      ARG 559  58.679  -6.495  -8.949
  145   HH22  ARG 559          HH22      ARG 559  58.872  -8.212  -9.044
  146    H    CYS 560           HN       CYS 560  56.034  -2.672  -8.569
  147    HA   CYS 560           HA       CYS 560  56.090   0.035  -7.420
  148    HB2  CYS 560           HB2      CYS 560  53.767   0.090  -6.775
  149    HB3  CYS 560           HB1      CYS 560  53.829  -0.197  -8.513
  150    HG   CYS 560           HG       CYS 560  53.746  -2.850  -7.114
  151    H    ILE 561           HN       ILE 561  56.518  -0.031  -5.273
  152    HA   ILE 561           HA       ILE 561  56.869  -2.704  -4.047
  153    HB   ILE 561           HB       ILE 561  57.542  -0.096  -2.702
  154   HG12  ILE 561          HG12      ILE 561  58.425   0.053  -5.020
  155   HG13  ILE 561          HG11      ILE 561  59.722  -0.096  -3.840
  156   HG21  ILE 561          HG21      ILE 561  58.480  -2.953  -2.611
  157   HG22  ILE 561          HG22      ILE 561  57.958  -1.913  -1.285
  158   HG23  ILE 561          HG23      ILE 561  59.530  -1.657  -2.042
  159   HD11  ILE 561          HD11      ILE 561  59.709  -2.592  -4.284
  160   HD12  ILE 561          HD12      ILE 561  60.239  -1.602  -5.642
  161   HD13  ILE 561          HD13      ILE 561  58.609  -2.274  -5.625
  162    H    THR 562           HN       THR 562  55.837  -3.290  -2.101
  163    HA   THR 562           HA       THR 562  53.614  -1.496  -1.210
  164    HB   THR 562           HB       THR 562  53.559  -4.524  -1.428
  165    HG1  THR 562           HG1      THR 562  53.338  -3.290  -3.397
  166   HG21  THR 562          HG21      THR 562  51.060  -4.015  -0.913
  167   HG22  THR 562          HG22      THR 562  51.663  -2.482  -0.284
  168   HG23  THR 562          HG23      THR 562  52.208  -4.001   0.425
  169    H    ALA 563           HN       ALA 563  54.374  -0.764   0.718
  170    HA   ALA 563           HA       ALA 563  55.922  -2.573   2.471
  171    HB1  ALA 563           HB1      ALA 563  55.141   0.313   2.948
  172    HB2  ALA 563           HB2      ALA 563  56.591  -0.173   2.072
  173    HB3  ALA 563           HB3      ALA 563  56.406  -0.598   3.773
  174    H    MET 564           HN       MET 564  54.578  -0.626   4.626
  175    HA   MET 564           HA       MET 564  52.767  -2.635   5.658
  176    HB2  MET 564           HB2      MET 564  53.127   0.270   6.451
  177    HB3  MET 564           HB1      MET 564  52.291  -0.955   7.402
  178    HG2  MET 564           HG2      MET 564  54.306  -2.175   7.787
  179    HG3  MET 564           HG1      MET 564  55.174  -1.275   6.544
  180    HE1  MET 564           HE1      MET 564  57.186   0.634   8.023
  181    HE2  MET 564           HE2      MET 564  56.917  -1.087   7.763
  182    HE3  MET 564           HE3      MET 564  57.127  -0.474   9.400
  183    H    ALA 565           HN       ALA 565  51.738  -2.428   3.322
  184    HA   ALA 565           HA       ALA 565  49.664  -2.099   2.250
  185    HB1  ALA 565           HB1      ALA 565  47.838  -1.334   3.442
  186    HB2  ALA 565           HB2      ALA 565  48.757  -0.053   4.233
  187    HB3  ALA 565           HB3      ALA 565  48.902  -1.719   4.795
  188    H    LYS 566           HN       LYS 566  51.949   0.205   3.141
  189    HA   LYS 566           HA       LYS 566  50.846   2.379   1.467
  190    HB2  LYS 566           HB2      LYS 566  52.999   2.076   3.471
  191    HB3  LYS 566           HB1      LYS 566  53.387   3.153   2.131
  192    HG2  LYS 566           HG2      LYS 566  51.289   4.403   2.535
  193    HG3  LYS 566           HG1      LYS 566  50.925   3.339   3.894
  194    HD2  LYS 566           HD2      LYS 566  53.487   4.941   3.714
  195    HD3  LYS 566           HD1      LYS 566  52.032   5.553   4.501
  196    HE2  LYS 566           HE2      LYS 566  52.914   4.547   6.352
  197    HE3  LYS 566           HE1      LYS 566  52.214   3.089   5.649
  198    HZ1  LYS 566           HZ1      LYS 566  55.010   4.019   5.574
  199    HZ2  LYS 566           HZ2      LYS 566  54.428   2.950   4.389
  200    HZ3  LYS 566           HZ3      LYS 566  54.403   2.502   6.028
  201    H    LYS 567           HN       LYS 567  51.547   2.769  -0.616
  202    HA   LYS 567           HA       LYS 567  53.419   0.794  -1.777
  203    HB2  LYS 567           HB2      LYS 567  51.407   2.722  -2.909
  204    HB3  LYS 567           HB1      LYS 567  52.666   2.045  -3.942
  205    HG2  LYS 567           HG2      LYS 567  50.557   0.698  -3.964
  206    HG3  LYS 567           HG1      LYS 567  51.960  -0.218  -3.409
  207    HD2  LYS 567           HD2      LYS 567  51.278  -0.132  -1.150
  208    HD3  LYS 567           HD1      LYS 567  50.174   1.214  -1.443
  209    HE2  LYS 567           HE2      LYS 567  48.551  -0.144  -2.416
  210    HE3  LYS 567           HE1      LYS 567  49.718  -1.388  -2.863
  211    HZ1  LYS 567           HZ1      LYS 567  49.283  -0.793  -0.020
  212    HZ2  LYS 567           HZ2      LYS 567  49.752  -2.250  -0.759
  213    HZ3  LYS 567           HZ3      LYS 567  48.136  -1.734  -0.844
  214    H    PHE 568           HN       PHE 568  54.959   1.720  -3.470
  215    HA   PHE 568           HA       PHE 568  55.919   4.468  -2.997
  216    HB2  PHE 568           HB2      PHE 568  57.488   2.015  -2.145
  217    HB3  PHE 568           HB1      PHE 568  58.252   3.568  -2.455
  218    HD1  PHE 568           HD1      PHE 568  56.105   1.641  -0.188
  219    HD2  PHE 568           HD2      PHE 568  57.816   5.502  -0.980
  220    HE1  PHE 568           HE1      PHE 568  55.575   2.351   2.127
  221    HE2  PHE 568           HE2      PHE 568  57.281   6.212   1.335
  222    HZ   PHE 568           HZ       PHE 568  56.161   4.636   2.889
  223    H    HIS 569           HN       HIS 569  57.032   5.173  -4.846
  224    HA   HIS 569           HA       HIS 569  56.997   3.585  -7.222
  225    HB2  HIS 569           HB2      HIS 569  58.534   6.049  -6.396
  226    HB3  HIS 569           HB1      HIS 569  58.912   5.246  -7.916
  227    HD2  HIS 569           HD2      HIS 569  56.339   4.908  -9.544
  228    HE1  HIS 569           HE1      HIS 569  54.859   8.557  -8.017
  229    HE2  HIS 569           HE2      HIS 569  54.570   6.797  -9.833
  230    HA   PRO 570           HA       PRO 570  60.175   0.625  -6.255
  231    HB2  PRO 570           HB2      PRO 570  60.996   0.918  -9.085
  232    HB3  PRO 570           HB1      PRO 570  60.472  -0.522  -8.206
  233    HG2  PRO 570           HG2      PRO 570  58.905   0.786 -10.043
  234    HG3  PRO 570           HG1      PRO 570  58.272  -0.199  -8.724
  235    HD2  PRO 570           HD2      PRO 570  58.190   2.730  -9.051
  236    HD3  PRO 570           HD1      PRO 570  57.230   1.688  -7.970
  237    H    GLU 571           HN       GLU 571  60.760   3.791  -7.308
  238    HA   GLU 571           HA       GLU 571  63.690   3.531  -6.784
  239    HB2  GLU 571           HB2      GLU 571  64.026   5.450  -8.209
  240    HB3  GLU 571           HB1      GLU 571  63.020   4.298  -9.089
  241    HG2  GLU 571           HG2      GLU 571  61.071   5.686  -7.867
  242    HG3  GLU 571           HG1      GLU 571  62.300   6.944  -7.933
  243    H    HIS 572           HN       HIS 572  60.733   4.796  -5.616
  244    HA   HIS 572           HA       HIS 572  62.124   6.905  -4.033
  245    HB2  HIS 572           HB2      HIS 572  59.168   6.348  -4.442
  246    HB3  HIS 572           HB1      HIS 572  59.809   7.625  -3.408
  247    HD2  HIS 572           HD2      HIS 572  62.306   8.106  -5.860
  248    HE1  HIS 572           HE1      HIS 572  59.003   9.766  -7.890
  249    HE2  HIS 572           HE2      HIS 572  61.538   9.609  -7.835
  250    H    PHE 573           HN       PHE 573  61.014   3.706  -3.792
  251    HA   PHE 573           HA       PHE 573  60.417   3.739  -0.936
  252    HB2  PHE 573           HB2      PHE 573  59.515   1.994  -2.507
  253    HB3  PHE 573           HB1      PHE 573  61.156   1.397  -2.719
  254    HD1  PHE 573           HD1      PHE 573  59.081   2.490   0.224
  255    HD2  PHE 573           HD2      PHE 573  61.576  -0.544  -1.508
  256    HE1  PHE 573           HE1      PHE 573  58.858   1.131   2.285
  257    HE2  PHE 573           HE2      PHE 573  61.355  -1.904   0.553
  258    HZ   PHE 573           HZ       PHE 573  59.994  -1.066   2.449
  259    H    VAL 574           HN       VAL 574  62.294   4.784  -0.101
  260    HA   VAL 574           HA       VAL 574  64.844   3.270  -0.409
  261    HB   VAL 574           HB       VAL 574  65.954   5.327   0.371
  262   HG11  VAL 574          HG11      VAL 574  64.919   4.883  -2.091
  263   HG12  VAL 574          HG12      VAL 574  65.856   6.323  -1.692
  264   HG13  VAL 574          HG13      VAL 574  64.094   6.389  -1.692
  265   HG21  VAL 574          HG21      VAL 574  64.227   6.193   1.859
  266   HG22  VAL 574          HG22      VAL 574  63.110   6.386   0.507
  267   HG23  VAL 574          HG23      VAL 574  64.551   7.397   0.613
  268    H    CYS 575           HN       CYS 575  66.269   3.440   1.622
  269    HA   CYS 575           HA       CYS 575  64.821   2.220   3.838
  270    HB2  CYS 575           HB2      CYS 575  67.005   1.372   3.349
  271    HB3  CYS 575           HB1      CYS 575  67.713   2.982   3.381
  272    H    ALA 576           HN       ALA 576  64.081   3.250   5.646
  273    HA   ALA 576           HA       ALA 576  64.260   6.141   5.859
  274    HB1  ALA 576           HB1      ALA 576  63.114   5.755   8.073
  275    HB2  ALA 576           HB2      ALA 576  63.246   4.022   7.777
  276    HB3  ALA 576           HB3      ALA 576  62.281   5.030   6.699
  277    H    PHE 577           HN       PHE 577  66.852   5.079   5.774
  278    HA   PHE 577           HA       PHE 577  67.926   6.031   8.364
  279    HB2  PHE 577           HB2      PHE 577  67.709   3.421   8.267
  280    HB3  PHE 577           HB1      PHE 577  69.067   3.518   7.149
  281    HD1  PHE 577           HD1      PHE 577  68.011   4.933  10.472
  282    HD2  PHE 577           HD2      PHE 577  71.212   3.409   8.044
  283    HE1  PHE 577           HE1      PHE 577  69.572   5.164  12.384
  284    HE2  PHE 577           HE2      PHE 577  72.772   3.642   9.957
  285    HZ   PHE 577           HZ       PHE 577  71.952   4.519  12.126
  286    H    CYS 578           HN       CYS 578  69.022   4.467   5.353
  287    HA   CYS 578           HA       CYS 578  71.088   6.592   5.056
  288    HB2  CYS 578           HB2      CYS 578  71.834   5.003   3.145
  289    HB3  CYS 578           HB1      CYS 578  72.081   4.459   4.803
  290    H    LEU 579           HN       LEU 579  68.065   5.524   3.820
  291    HA   LEU 579           HA       LEU 579  66.708   6.271   2.073
  292    HB2  LEU 579           HB2      LEU 579  68.430   8.752   2.378
  293    HB3  LEU 579           HB1      LEU 579  66.875   8.677   1.552
  294    HG   LEU 579           HG       LEU 579  66.265   7.546   3.983
  295   HD11  LEU 579          HD11      LEU 579  67.259   8.932   5.718
  296   HD12  LEU 579          HD12      LEU 579  68.168   9.846   4.516
  297   HD13  LEU 579          HD13      LEU 579  68.549   8.150   4.807
  298   HD21  LEU 579          HD21      LEU 579  65.231   9.763   4.488
  299   HD22  LEU 579          HD22      LEU 579  64.937   9.246   2.828
  300   HD23  LEU 579          HD23      LEU 579  66.162  10.469   3.167
  301    H    LYS 580           HN       LYS 580  69.485   5.063   1.466
  302    HA   LYS 580           HA       LYS 580  70.340   6.297  -1.016
  303    HB2  LYS 580           HB2      LYS 580  71.699   4.255  -1.304
  304    HB3  LYS 580           HB1      LYS 580  71.858   4.886   0.335
  305    HG2  LYS 580           HG2      LYS 580  69.914   3.258   0.918
  306    HG3  LYS 580           HG1      LYS 580  70.316   2.472  -0.608
  307    HD2  LYS 580           HD2      LYS 580  72.781   2.893   0.696
  308    HD3  LYS 580           HD1      LYS 580  71.677   2.305   1.939
  309    HE2  LYS 580           HE2      LYS 580  72.724   0.388   0.880
  310    HE3  LYS 580           HE1      LYS 580  71.028   0.433   0.400
  311    HZ1  LYS 580           HZ1      LYS 580  73.174   0.336  -1.282
  312    HZ2  LYS 580           HZ2      LYS 580  72.694   1.965  -1.347
  313    HZ3  LYS 580           HZ3      LYS 580  71.583   0.733  -1.717
  314    H    GLN 581           HN       GLN 581  68.573   3.274  -0.312
  315    HA   GLN 581           HA       GLN 581  66.603   3.597  -2.323
  316    HB2  GLN 581           HB2      GLN 581  69.066   2.943  -3.470
  317    HB3  GLN 581           HB1      GLN 581  68.243   1.393  -3.341
  318    HG2  GLN 581           HG2      GLN 581  66.403   3.430  -4.262
  319    HG3  GLN 581           HG1      GLN 581  67.826   3.377  -5.301
  320   HE21  GLN 581          HE21      GLN 581  65.037   1.540  -4.182
  321   HE22  GLN 581          HE22      GLN 581  65.199   0.265  -5.288
  322    H    LEU 582           HN       LEU 582  65.257   1.596  -2.448
  323    HA   LEU 582           HA       LEU 582  66.026  -0.624  -0.705
  324    HB2  LEU 582           HB2      LEU 582  65.043   1.416   0.677
  325    HB3  LEU 582           HB1      LEU 582  63.504   0.758   0.130
  326    HG   LEU 582           HG       LEU 582  64.287  -1.490   0.980
  327   HD11  LEU 582          HD11      LEU 582  66.460  -1.652   1.545
  328   HD12  LEU 582          HD12      LEU 582  66.091  -0.661   2.955
  329   HD13  LEU 582          HD13      LEU 582  66.666   0.097   1.473
  330   HD21  LEU 582          HD21      LEU 582  64.127  -0.585   3.487
  331   HD22  LEU 582          HD22      LEU 582  62.730  -0.556   2.411
  332   HD23  LEU 582          HD23      LEU 582  63.683   0.906   2.656
  333    H    ASN 583           HN       ASN 583  64.385  -2.337  -0.683
  334    HA   ASN 583           HA       ASN 583  62.176  -2.145  -2.617
  335    HB2  ASN 583           HB2      ASN 583  64.197  -2.710  -3.994
  336    HB3  ASN 583           HB1      ASN 583  64.407  -4.164  -3.020
  337   HD21  ASN 583          HD21      ASN 583  63.220  -5.993  -3.654
  338   HD22  ASN 583          HD22      ASN 583  61.966  -5.974  -4.798
  339    H    LYS 584           HN       LYS 584  60.517  -3.312  -1.788
  340    HA   LYS 584           HA       LYS 584  60.531  -4.635   0.673
  341    HB2  LYS 584           HB2      LYS 584  58.411  -4.110  -0.221
  342    HB3  LYS 584           HB1      LYS 584  58.773  -4.879  -1.762
  343    HG2  LYS 584           HG2      LYS 584  57.219  -6.283  -0.514
  344    HG3  LYS 584           HG1      LYS 584  58.777  -7.099  -0.620
  345    HD2  LYS 584           HD2      LYS 584  58.170  -7.352   1.648
  346    HD3  LYS 584           HD1      LYS 584  59.284  -5.988   1.668
  347    HE2  LYS 584           HE2      LYS 584  57.371  -5.379   3.011
  348    HE3  LYS 584           HE1      LYS 584  57.278  -4.456   1.512
  349    HZ1  LYS 584           HZ1      LYS 584  55.280  -5.327   1.209
  350    HZ2  LYS 584           HZ2      LYS 584  55.452  -6.348   2.556
  351    HZ3  LYS 584           HZ3      LYS 584  55.995  -6.854   1.028
  352    H    GLY 585           HN       GLY 585  61.500  -5.843  -2.453
  353    HA2  GLY 585           HA2      GLY 585  61.343  -8.603  -2.188
  354    HA3  GLY 585           HA1      GLY 585  62.663  -7.795  -3.022
  355    H    THR 586           HN       THR 586  63.764  -6.464  -0.679
  356    HA   THR 586           HA       THR 586  64.426  -8.683   1.170
  357    HB   THR 586           HB       THR 586  66.886  -8.342   0.795
  358    HG1  THR 586           HG1      THR 586  66.015  -6.997  -1.541
  359   HG21  THR 586          HG21      THR 586  67.001  -9.717  -1.184
  360   HG22  THR 586          HG22      THR 586  65.417  -9.164  -1.725
  361   HG23  THR 586          HG23      THR 586  65.552 -10.187  -0.295
  362    H    PHE 587           HN       PHE 587  63.094  -6.119   1.586
  363    HA   PHE 587           HA       PHE 587  65.168  -4.554   3.034
  364    HB2  PHE 587           HB2      PHE 587  63.809  -2.725   2.848
  365    HB3  PHE 587           HB1      PHE 587  63.097  -3.637   1.532
  366    HD1  PHE 587           HD1      PHE 587  62.194  -1.673   4.153
  367    HD2  PHE 587           HD2      PHE 587  61.414  -5.622   2.651
  368    HE1  PHE 587           HE1      PHE 587  60.028  -1.704   5.358
  369    HE2  PHE 587           HE2      PHE 587  59.251  -5.652   3.861
  370    HZ   PHE 587           HZ       PHE 587  58.557  -3.694   5.213
  371    H    LYS 588           HN       LYS 588  64.134  -3.587   5.146
  372    HA   LYS 588           HA       LYS 588  62.668  -5.643   6.700
  373    HB2  LYS 588           HB2      LYS 588  65.378  -4.467   7.370
  374    HB3  LYS 588           HB1      LYS 588  64.336  -5.163   8.605
  375    HG2  LYS 588           HG2      LYS 588  65.337  -6.618   6.137
  376    HG3  LYS 588           HG1      LYS 588  65.992  -6.804   7.761
  377    HD2  LYS 588           HD2      LYS 588  63.238  -7.575   6.783
  378    HD3  LYS 588           HD1      LYS 588  64.485  -8.631   7.433
  379    HE2  LYS 588           HE2      LYS 588  64.302  -7.336   9.610
  380    HE3  LYS 588           HE1      LYS 588  62.871  -6.557   8.935
  381    HZ1  LYS 588           HZ1      LYS 588  63.279  -9.448   9.444
  382    HZ2  LYS 588           HZ2      LYS 588  61.979  -8.834   8.539
  383    HZ3  LYS 588           HZ3      LYS 588  62.147  -8.419  10.178
  384    H    GLU 589           HN       GLU 589  62.014  -4.549   8.897
  385    HA   GLU 589           HA       GLU 589  61.833  -1.605   8.583
  386    HB2  GLU 589           HB2      GLU 589  59.518  -1.503   8.666
  387    HB3  GLU 589           HB1      GLU 589  59.745  -2.975   7.724
  388    HG2  GLU 589           HG2      GLU 589  59.719  -4.173  10.045
  389    HG3  GLU 589           HG1      GLU 589  58.962  -2.687  10.617
  390    H    GLN 590           HN       GLN 590  61.504  -0.481  10.524
  391    HA   GLN 590           HA       GLN 590  61.352  -1.952  13.066
  392    HB2  GLN 590           HB2      GLN 590  63.814  -1.851  12.345
  393    HB3  GLN 590           HB1      GLN 590  63.694  -0.106  12.546
  394    HG2  GLN 590           HG2      GLN 590  64.529  -0.925  14.619
  395    HG3  GLN 590           HG1      GLN 590  62.827  -0.570  14.905
  396   HE21  GLN 590          HE21      GLN 590  64.142  -3.410  13.165
  397   HE22  GLN 590          HE22      GLN 590  63.544  -4.558  14.263
  398    H    ASN 591           HN       ASN 591  60.624  -0.556  14.739
  399    HA   ASN 591           HA       ASN 591  59.465   1.298  15.578
  400    HB2  ASN 591           HB2      ASN 591  61.662   2.568  13.945
  401    HB3  ASN 591           HB1      ASN 591  60.508   3.539  14.852
  402   HD21  ASN 591          HD21      ASN 591  63.509   2.081  15.119
  403   HD22  ASN 591          HD22      ASN 591  63.590   1.940  16.809
  404    H    ASP 592           HN       ASP 592  58.718   0.117  12.834
  405    HA   ASP 592           HA       ASP 592  56.844   0.488  11.456
  406    HB2  ASP 592           HB2      ASP 592  56.258   2.147  13.488
  407    HB3  ASP 592           HB1      ASP 592  56.555   3.349  12.228
  408    H    LYS 593           HN       LYS 593  59.684   1.155  10.750
  409    HA   LYS 593           HA       LYS 593  59.000   2.762   8.356
  410    HB2  LYS 593           HB2      LYS 593  61.612   3.599   9.053
  411    HB3  LYS 593           HB1      LYS 593  60.145   4.571   9.017
  412    HG2  LYS 593           HG2      LYS 593  59.683   3.677  11.381
  413    HG3  LYS 593           HG1      LYS 593  61.358   3.125  11.370
  414    HD2  LYS 593           HD2      LYS 593  62.115   5.425  10.885
  415    HD3  LYS 593           HD1      LYS 593  60.441   5.978  10.910
  416    HE2  LYS 593           HE2      LYS 593  61.784   4.605  13.253
  417    HE3  LYS 593           HE1      LYS 593  61.689   6.356  13.072
  418    HZ1  LYS 593           HZ1      LYS 593  59.229   6.055  12.864
  419    HZ2  LYS 593           HZ2      LYS 593  59.867   5.700  14.398
  420    HZ3  LYS 593           HZ3      LYS 593  59.441   4.441  13.338
  421    HA   PRO 594           HA       PRO 594  61.404  -0.301   6.303
  422    HB2  PRO 594           HB2      PRO 594  62.484   1.186   4.266
  423    HB3  PRO 594           HB1      PRO 594  60.806   0.638   4.319
  424    HG2  PRO 594           HG2      PRO 594  61.929   3.341   4.872
  425    HG3  PRO 594           HG1      PRO 594  60.382   2.894   4.150
  426    HD2  PRO 594           HD2      PRO 594  60.690   3.750   6.776
  427    HD3  PRO 594           HD1      PRO 594  59.329   2.753   6.202
  428    H    TYR 595           HN       TYR 595  63.482  -1.079   5.932
  429    HA   TYR 595           HA       TYR 595  65.872   0.549   6.355
  430    HB2  TYR 595           HB2      TYR 595  64.994  -1.534   8.386
  431    HB3  TYR 595           HB1      TYR 595  66.652  -0.955   8.258
  432    HD1  TYR 595           HD1      TYR 595  67.104   1.537   8.527
  433    HD2  TYR 595           HD2      TYR 595  63.346  -0.277   9.532
  434    HE1  TYR 595           HE1      TYR 595  66.514   3.516   9.903
  435    HE2  TYR 595           HE2      TYR 595  62.760   1.701  10.902
  436    HH   TYR 595           HH       TYR 595  64.432   4.622  10.725
  437    H    CYS 596           HN       CYS 596  67.371  -0.363   4.954
  438    HA   CYS 596           HA       CYS 596  66.855  -2.674   3.426
  439    HB2  CYS 596           HB2      CYS 596  69.702  -2.109   4.140
  440    HB3  CYS 596           HB1      CYS 596  68.992  -2.453   2.566
  441    H    GLN 597           HN       GLN 597  67.433  -4.852   3.682
  442    HA   GLN 597           HA       GLN 597  67.298  -5.980   6.250
  443    HB2  GLN 597           HB2      GLN 597  66.969  -7.612   4.663
  444    HB3  GLN 597           HB1      GLN 597  68.115  -6.876   3.546
  445    HG2  GLN 597           HG2      GLN 597  68.944  -9.057   4.332
  446    HG3  GLN 597           HG1      GLN 597  69.991  -7.756   4.885
  447   HE21  GLN 597          HE21      GLN 597  66.969  -7.873   6.566
  448   HE22  GLN 597          HE22      GLN 597  67.532  -8.648   7.966
  449    H    ASN 598           HN       ASN 598  70.082  -4.883   4.389
  450    HA   ASN 598           HA       ASN 598  72.098  -5.840   6.214
  451    HB2  ASN 598           HB2      ASN 598  72.625  -5.157   3.890
  452    HB3  ASN 598           HB1      ASN 598  72.180  -3.497   4.281
  453   HD21  ASN 598          HD21      ASN 598  74.466  -6.089   5.293
  454   HD22  ASN 598          HD22      ASN 598  75.689  -5.022   5.791
  455    H    CYS 599           HN       CYS 599  70.213  -2.853   5.920
  456    HA   CYS 599           HA       CYS 599  71.555  -1.433   8.049
  457    HB2  CYS 599           HB2      CYS 599  68.906  -1.141   6.639
  458    HB3  CYS 599           HB1      CYS 599  69.226  -0.208   8.097
  459    H    PHE 600           HN       PHE 600  68.333  -3.022   7.961
  460    HA   PHE 600           HA       PHE 600  67.757  -3.012  10.713
  461    HB2  PHE 600           HB2      PHE 600  66.124  -3.827   9.133
  462    HB3  PHE 600           HB1      PHE 600  67.211  -5.090   8.570
  463    HD1  PHE 600           HD1      PHE 600  64.781  -4.116  11.104
  464    HD2  PHE 600           HD2      PHE 600  67.780  -7.015  10.072
  465    HE1  PHE 600           HE1      PHE 600  63.858  -5.678  12.795
  466    HE2  PHE 600           HE2      PHE 600  66.860  -8.571  11.768
  467    HZ   PHE 600           HZ       PHE 600  64.897  -7.903  13.128
  468    H    LEU 601           HN       LEU 601  69.658  -5.334   8.835
  469    HA   LEU 601           HA       LEU 601  70.382  -7.095  10.957
  470    HB2  LEU 601           HB2      LEU 601  70.731  -7.660   8.609
  471    HB3  LEU 601           HB1      LEU 601  71.822  -6.298   8.408
  472    HG   LEU 601           HG       LEU 601  73.257  -7.392  10.246
  473   HD11  LEU 601          HD11      LEU 601  72.942  -9.859  10.421
  474   HD12  LEU 601          HD12      LEU 601  71.456  -9.712   9.482
  475   HD13  LEU 601          HD13      LEU 601  71.570  -8.964  11.075
  476   HD21  LEU 601          HD21      LEU 601  73.851  -7.363   7.853
  477   HD22  LEU 601          HD22      LEU 601  72.864  -8.800   7.588
  478   HD23  LEU 601          HD23      LEU 601  74.311  -8.898   8.592
  479    H    LYS 602           HN       LYS 602  71.432  -3.932  10.026
  480    HA   LYS 602           HA       LYS 602  73.829  -3.948  11.744
  481    HB2  LYS 602           HB2      LYS 602  73.157  -2.610   9.427
  482    HB3  LYS 602           HB1      LYS 602  72.877  -1.381  10.653
  483    HG2  LYS 602           HG2      LYS 602  75.148  -1.122  10.059
  484    HG3  LYS 602           HG1      LYS 602  75.184  -2.012  11.580
  485    HD2  LYS 602           HD2      LYS 602  76.703  -3.172  10.161
  486    HD3  LYS 602           HD1      LYS 602  75.234  -4.147  10.146
  487    HE2  LYS 602           HE2      LYS 602  74.646  -3.465   7.985
  488    HE3  LYS 602           HE1      LYS 602  75.622  -1.998   8.075
  489    HZ1  LYS 602           HZ1      LYS 602  77.609  -3.459   8.132
  490    HZ2  LYS 602           HZ2      LYS 602  76.734  -3.548   6.678
  491    HZ3  LYS 602           HZ3      LYS 602  76.600  -4.789   7.831
  492    H    LEU 603           HN       LEU 603  70.578  -2.514  11.658
  493    HA   LEU 603           HA       LEU 603  71.024  -1.032  14.147
  494    HB2  LEU 603           HB2      LEU 603  68.303  -1.498  12.964
  495    HB3  LEU 603           HB1      LEU 603  68.921  -0.080  13.796
  496    HG   LEU 603           HG       LEU 603  69.619  -0.987  10.999
  497   HD11  LEU 603          HD11      LEU 603  67.468   0.158  11.185
  498   HD12  LEU 603          HD12      LEU 603  68.639   1.208  10.388
  499   HD13  LEU 603          HD13      LEU 603  68.227   1.473  12.082
  500   HD21  LEU 603          HD21      LEU 603  70.911   1.227  10.986
  501   HD22  LEU 603          HD22      LEU 603  71.652  -0.098  11.883
  502   HD23  LEU 603          HD23      LEU 603  70.797   1.182  12.746
  503    H    PHE 604           HN       PHE 604  68.803  -3.640  13.147
  504    HA   PHE 604           HA       PHE 604  68.031  -4.241  15.871
  505    HB2  PHE 604           HB2      PHE 604  66.781  -4.703  13.610
  506    HB3  PHE 604           HB1      PHE 604  67.723  -6.194  13.610
  507    HD1  PHE 604           HD1      PHE 604  67.048  -8.037  14.919
  508    HD2  PHE 604           HD2      PHE 604  65.430  -4.143  15.739
  509    HE1  PHE 604           HE1      PHE 604  65.467  -9.036  16.546
  510    HE2  PHE 604           HE2      PHE 604  63.848  -5.142  17.365
  511    HZ   PHE 604           HZ       PHE 604  63.866  -7.589  17.769
  512    H    CYS 605           HN       CYS 605  70.688  -5.175  13.870
  513    HA   CYS 605           HA       CYS 605  71.603  -7.006  16.025
  514    HB2  CYS 605           HB2      CYS 605  70.414  -8.202  13.992
  515    HB3  CYS 605           HB1      CYS 605  71.952  -7.905  13.182
  516    HG   CYS 605           HG       CYS 605  73.030  -9.151  15.393
  Start of MODEL    4
    1    H    TYR 541           HT1      TYR 541  47.370  -2.227 -15.452
    2    HA   TYR 541           HA       TYR 541  47.202  -0.310 -17.713
    3    HB2  TYR 541           HB2      TYR 541  45.581  -1.926 -18.650
    4    HB3  TYR 541           HB1      TYR 541  47.175  -2.657 -18.471
    5    HD1  TYR 541           HD1      TYR 541  47.619  -4.310 -16.702
    6    HD2  TYR 541           HD2      TYR 541  43.716  -2.592 -17.227
    7    HE1  TYR 541           HE1      TYR 541  46.647  -6.077 -15.259
    8    HE2  TYR 541           HE2      TYR 541  42.745  -4.359 -15.784
    9    HH   TYR 541           HH       TYR 541  43.909  -7.079 -15.177
   10    H    HIS 542           HN       HIS 542  46.437  -0.733 -14.567
   11    HA   HIS 542           HA       HIS 542  43.570  -0.306 -14.587
   12    HB2  HIS 542           HB2      HIS 542  44.000   0.406 -12.170
   13    HB3  HIS 542           HB1      HIS 542  44.499  -1.231 -12.589
   14    HD1  HIS 542           HD1      HIS 542  46.879  -1.807 -12.092
   15    HD2  HIS 542           HD2      HIS 542  46.312   2.316 -12.324
   16    HE1  HIS 542           HE1      HIS 542  49.092  -0.744 -11.469
   17    H    GLU 543           HN       GLU 543  42.798   1.786 -13.304
   18    HA   GLU 543           HA       GLU 543  44.238   4.187 -14.322
   19    HB2  GLU 543           HB2      GLU 543  41.503   4.816 -14.522
   20    HB3  GLU 543           HB1      GLU 543  42.625   4.560 -15.855
   21    HG2  GLU 543           HG2      GLU 543  40.750   3.083 -16.199
   22    HG3  GLU 543           HG1      GLU 543  42.115   2.086 -15.699
   23    H    ARG 544           HN       ARG 544  41.122   3.658 -12.661
   24    HA   ARG 544           HA       ARG 544  41.625   5.772 -10.763
   25    HB2  ARG 544           HB2      ARG 544  39.478   3.875 -11.362
   26    HB3  ARG 544           HB1      ARG 544  39.675   4.130  -9.632
   27    HG2  ARG 544           HG2      ARG 544  38.185   5.841 -10.272
   28    HG3  ARG 544           HG1      ARG 544  39.749   6.655 -10.215
   29    HD2  ARG 544           HD2      ARG 544  39.862   6.895 -12.493
   30    HD3  ARG 544           HD1      ARG 544  39.014   5.378 -12.795
   31    HE   ARG 544           HE       ARG 544  37.069   7.029 -11.699
   32   HH11  ARG 544          HH11      ARG 544  35.743   8.354 -12.947
   33   HH12  ARG 544          HH12      ARG 544  36.276   8.868 -14.512
   34   HH21  ARG 544          HH21      ARG 544  39.301   7.193 -14.330
   35   HH22  ARG 544          HH22      ARG 544  38.286   8.212 -15.293
   36    H    ARG 545           HN       ARG 545  42.391   2.385 -10.866
   37    HA   ARG 545           HA       ARG 545  43.032   2.320  -7.969
   38    HB2  ARG 545           HB2      ARG 545  43.485   0.075  -9.936
   39    HB3  ARG 545           HB1      ARG 545  43.228  -0.029  -8.197
   40    HG2  ARG 545           HG2      ARG 545  41.059  -0.442  -8.684
   41    HG3  ARG 545           HG1      ARG 545  40.952   1.273  -9.083
   42    HD2  ARG 545           HD2      ARG 545  40.263   0.458 -11.110
   43    HD3  ARG 545           HD1      ARG 545  42.000   0.347 -11.388
   44    HE   ARG 545           HE       ARG 545  41.346  -2.073 -10.187
   45   HH11  ARG 545          HH11      ARG 545  40.750  -3.900 -11.360
   46   HH12  ARG 545          HH12      ARG 545  40.089  -3.719 -12.950
   47   HH21  ARG 545          HH21      ARG 545  40.288  -0.262 -12.932
   48   HH22  ARG 545          HH22      ARG 545  39.827  -1.665 -13.838
   49    H    GLY 546           HN       GLY 546  45.225   0.491  -8.194
   50    HA2  GLY 546           HA2      GLY 546  47.448   0.467  -9.310
   51    HA3  GLY 546           HA1      GLY 546  47.272   2.207  -9.524
   52    H    SER 547           HN       SER 547  46.029   2.090  -6.654
   53    HA   SER 547           HA       SER 547  46.763   2.415  -4.460
   54    HB2  SER 547           HB2      SER 547  48.449   0.305  -5.519
   55    HB3  SER 547           HB1      SER 547  49.341   1.310  -4.387
   56    HG   SER 547           HG       SER 547  47.528  -0.546  -3.863
   57    H    LEU 548           HN       LEU 548  47.409   4.419  -3.844
   58    HA   LEU 548           HA       LEU 548  49.241   5.981  -5.443
   59    HB2  LEU 548           HB2      LEU 548  47.785   6.396  -2.855
   60    HB3  LEU 548           HB1      LEU 548  49.114   7.475  -3.262
   61    HG   LEU 548           HG       LEU 548  48.052   8.090  -5.358
   62   HD11  LEU 548          HD11      LEU 548  46.997   6.098  -6.085
   63   HD12  LEU 548          HD12      LEU 548  45.669   7.206  -5.747
   64   HD13  LEU 548          HD13      LEU 548  46.077   5.940  -4.588
   65   HD21  LEU 548          HD21      LEU 548  46.085   9.245  -4.492
   66   HD22  LEU 548          HD22      LEU 548  47.347   9.257  -3.260
   67   HD23  LEU 548          HD23      LEU 548  45.996   8.131  -3.128
   68    H    CYS 549           HN       CYS 549  51.396   6.419  -5.086
   69    HA   CYS 549           HA       CYS 549  52.862   4.602  -3.320
   70    HB2  CYS 549           HB2      CYS 549  54.157   4.946  -5.191
   71    HB3  CYS 549           HB1      CYS 549  53.524   6.566  -5.459
   72    H    SER 550           HN       SER 550  52.908   5.117  -1.174
   73    HA   SER 550           HA       SER 550  52.258   7.615  -0.071
   74    HB2  SER 550           HB2      SER 550  54.223   5.599   1.053
   75    HB3  SER 550           HB1      SER 550  53.440   6.884   1.965
   76    HG   SER 550           HG       SER 550  52.364   4.541   0.842
   77    H    GLY 551           HN       GLY 551  53.209   9.468  -0.593
   78    HA2  GLY 551           HA2      GLY 551  55.329  10.824  -0.168
   79    HA3  GLY 551           HA1      GLY 551  56.167   9.531  -1.039
   80    H    CYS 552           HN       CYS 552  53.929   9.116  -2.885
   81    HA   CYS 552           HA       CYS 552  54.369  11.484  -4.658
   82    HB2  CYS 552           HB2      CYS 552  53.981   8.555  -5.124
   83    HB3  CYS 552           HB1      CYS 552  53.388   9.674  -6.349
   84    H    GLN 553           HN       GLN 553  51.955   9.475  -3.102
   85    HA   GLN 553           HA       GLN 553  49.631   9.676  -2.946
   86    HB2  GLN 553           HB2      GLN 553  50.523  12.499  -3.512
   87    HB3  GLN 553           HB1      GLN 553  48.803  12.118  -3.453
   88    HG2  GLN 553           HG2      GLN 553  49.749  12.859  -1.246
   89    HG3  GLN 553           HG1      GLN 553  49.002  11.265  -1.197
   90   HE21  GLN 553          HE21      GLN 553  50.256   9.769  -0.095
   91   HE22  GLN 553          HE22      GLN 553  51.950   9.783  -0.008
   92    H    LYS 554           HN       LYS 554  50.943   8.893  -5.459
   93    HA   LYS 554           HA       LYS 554  48.661   9.415  -7.303
   94    HB2  LYS 554           HB2      LYS 554  51.620   9.475  -7.990
   95    HB3  LYS 554           HB1      LYS 554  50.335   9.415  -9.195
   96    HG2  LYS 554           HG2      LYS 554  50.589  11.581  -7.088
   97    HG3  LYS 554           HG1      LYS 554  51.168  11.739  -8.745
   98    HD2  LYS 554           HD2      LYS 554  48.754  11.087  -9.432
   99    HD3  LYS 554           HD1      LYS 554  48.328  11.475  -7.766
  100    HE2  LYS 554           HE2      LYS 554  49.759  13.364  -9.659
  101    HE3  LYS 554           HE1      LYS 554  48.033  13.420  -9.297
  102    HZ1  LYS 554           HZ1      LYS 554  50.261  14.326  -7.729
  103    HZ2  LYS 554           HZ2      LYS 554  49.184  13.355  -6.845
  104    HZ3  LYS 554           HZ3      LYS 554  48.623  14.753  -7.630
  105    HA   PRO 555           HA       PRO 555  48.329   5.022  -7.436
  106    HB2  PRO 555           HB2      PRO 555  48.229   5.229 -10.376
  107    HB3  PRO 555           HB1      PRO 555  47.043   4.566  -9.245
  108    HG2  PRO 555           HG2      PRO 555  46.830   7.019 -10.541
  109    HG3  PRO 555           HG1      PRO 555  45.923   6.549  -9.102
  110    HD2  PRO 555           HD2      PRO 555  48.034   8.547  -9.340
  111    HD3  PRO 555           HD1      PRO 555  47.011   8.178  -7.928
  112    H    ILE 556           HN       ILE 556  49.500   3.162  -7.992
  113    HA   ILE 556           HA       ILE 556  52.247   3.690  -9.023
  114    HB   ILE 556           HB       ILE 556  51.120   1.597  -7.144
  115   HG12  ILE 556          HG12      ILE 556  53.385   3.518  -6.618
  116   HG13  ILE 556          HG11      ILE 556  51.714   4.050  -6.450
  117   HG21  ILE 556          HG21      ILE 556  52.776   0.469  -8.480
  118   HG22  ILE 556          HG22      ILE 556  53.556   0.888  -6.956
  119   HG23  ILE 556          HG23      ILE 556  53.870   1.848  -8.400
  120   HD11  ILE 556          HD11      ILE 556  52.180   1.469  -5.160
  121   HD12  ILE 556          HD12      ILE 556  51.458   2.937  -4.502
  122   HD13  ILE 556          HD13      ILE 556  53.209   2.740  -4.503
  123    H    THR 557           HN       THR 557  51.977   3.326 -11.226
  124    HA   THR 557           HA       THR 557  50.458   1.019 -12.201
  125    HB   THR 557           HB       THR 557  51.317   1.805 -14.444
  126    HG1  THR 557           HG1      THR 557  53.235   2.762 -13.515
  127   HG21  THR 557          HG21      THR 557  49.800   3.549 -12.524
  128   HG22  THR 557          HG22      THR 557  49.217   2.684 -13.946
  129   HG23  THR 557          HG23      THR 557  50.166   4.157 -14.139
  130    H    GLY 558           HN       GLY 558  51.319  -0.967 -12.148
  131    HA2  GLY 558           HA2      GLY 558  53.025  -2.501 -13.102
  132    HA3  GLY 558           HA1      GLY 558  54.247  -1.301 -12.664
  133    H    ARG 559           HN       ARG 559  55.380  -2.776 -11.251
  134    HA   ARG 559           HA       ARG 559  54.131  -4.288  -9.190
  135    HB2  ARG 559           HB2      ARG 559  56.901  -3.190  -9.600
  136    HB3  ARG 559           HB1      ARG 559  56.475  -4.017  -8.104
  137    HG2  ARG 559           HG2      ARG 559  57.290  -5.730  -9.485
  138    HG3  ARG 559           HG1      ARG 559  55.547  -5.888  -9.620
  139    HD2  ARG 559           HD2      ARG 559  55.621  -5.463 -11.829
  140    HD3  ARG 559           HD1      ARG 559  56.559  -3.997 -11.553
  141    HE   ARG 559           HE       ARG 559  58.413  -6.032 -11.244
  142   HH11  ARG 559          HH11      ARG 559  59.642  -6.842 -12.949
  143   HH12  ARG 559          HH12      ARG 559  59.053  -6.699 -14.571
  144   HH21  ARG 559          HH21      ARG 559  56.129  -5.086 -13.656
  145   HH22  ARG 559          HH22      ARG 559  57.069  -5.707 -14.971
  146    H    CYS 560           HN       CYS 560  54.626  -3.733  -6.778
  147    HA   CYS 560           HA       CYS 560  54.686  -0.900  -6.102
  148    HB2  CYS 560           HB2      CYS 560  52.434  -0.740  -5.196
  149    HB3  CYS 560           HB1      CYS 560  52.334  -1.193  -6.896
  150    HG   CYS 560           HG       CYS 560  52.365  -3.705  -5.270
  151    H    ILE 561           HN       ILE 561  55.367  -0.650  -4.042
  152    HA   ILE 561           HA       ILE 561  55.795  -3.106  -2.446
  153    HB   ILE 561           HB       ILE 561  56.668  -0.347  -1.620
  154   HG12  ILE 561          HG12      ILE 561  57.296  -0.567  -3.999
  155   HG13  ILE 561          HG11      ILE 561  58.720  -0.651  -2.971
  156   HG21  ILE 561          HG21      ILE 561  57.359  -1.774   0.030
  157   HG22  ILE 561          HG22      ILE 561  58.707  -2.030  -1.080
  158   HG23  ILE 561          HG23      ILE 561  57.369  -3.175  -1.041
  159   HD11  ILE 561          HD11      ILE 561  58.267  -3.247  -3.048
  160   HD12  ILE 561          HD12      ILE 561  59.086  -2.458  -4.394
  161   HD13  ILE 561          HD13      ILE 561  57.369  -2.842  -4.510
  162    H    THR 562           HN       THR 562  55.004  -3.319  -0.309
  163    HA   THR 562           HA       THR 562  52.921  -1.333   0.505
  164    HB   THR 562           HB       THR 562  52.776  -4.351   0.789
  165    HG1  THR 562           HG1      THR 562  52.374  -3.481  -1.323
  166   HG21  THR 562          HG21      THR 562  50.366  -3.685   1.474
  167   HG22  THR 562          HG22      THR 562  51.042  -2.080   1.749
  168   HG23  THR 562          HG23      THR 562  51.651  -3.461   2.660
  169    H    ALA 563           HN       ALA 563  53.924  -0.336   2.190
  170    HA   ALA 563           HA       ALA 563  55.612  -1.904   4.038
  171    HB1  ALA 563           HB1      ALA 563  56.263   0.227   4.960
  172    HB2  ALA 563           HB2      ALA 563  54.918   1.041   4.159
  173    HB3  ALA 563           HB3      ALA 563  56.253   0.395   3.205
  174    H    MET 564           HN       MET 564  54.522   0.376   6.004
  175    HA   MET 564           HA       MET 564  52.787  -1.417   7.483
  176    HB2  MET 564           HB2      MET 564  53.350   1.541   7.822
  177    HB3  MET 564           HB1      MET 564  52.498   0.538   8.994
  178    HG2  MET 564           HG2      MET 564  54.522  -0.931   9.136
  179    HG3  MET 564           HG1      MET 564  55.367   0.195   8.074
  180    HE1  MET 564           HE1      MET 564  53.532  -0.446  11.283
  181    HE2  MET 564           HE2      MET 564  54.424   0.489  12.479
  182    HE3  MET 564           HE3      MET 564  55.230  -0.814  11.611
  183    H    ALA 565           HN       ALA 565  51.537  -1.487   5.258
  184    HA   ALA 565           HA       ALA 565  49.368  -1.236   4.366
  185    HB1  ALA 565           HB1      ALA 565  47.697  -0.221   5.600
  186    HB2  ALA 565           HB2      ALA 565  48.732   1.117   6.100
  187    HB3  ALA 565           HB3      ALA 565  48.882  -0.455   6.885
  188    H    LYS 566           HN       LYS 566  51.792   1.088   4.673
  189    HA   LYS 566           HA       LYS 566  50.572   3.027   2.805
  190    HB2  LYS 566           HB2      LYS 566  52.934   2.937   4.586
  191    HB3  LYS 566           HB1      LYS 566  53.185   3.792   3.064
  192    HG2  LYS 566           HG2      LYS 566  51.158   5.153   3.512
  193    HG3  LYS 566           HG1      LYS 566  50.963   4.328   5.058
  194    HD2  LYS 566           HD2      LYS 566  53.486   5.819   4.294
  195    HD3  LYS 566           HD1      LYS 566  52.156   6.568   5.177
  196    HE2  LYS 566           HE2      LYS 566  53.241   5.817   7.030
  197    HE3  LYS 566           HE1      LYS 566  52.527   4.259   6.612
  198    HZ1  LYS 566           HZ1      LYS 566  54.891   4.032   6.928
  199    HZ2  LYS 566           HZ2      LYS 566  55.203   5.245   5.780
  200    HZ3  LYS 566           HZ3      LYS 566  54.514   3.770   5.295
  201    H    LYS 567           HN       LYS 567  51.030   3.061   0.626
  202    HA   LYS 567           HA       LYS 567  52.707   0.858  -0.416
  203    HB2  LYS 567           HB2      LYS 567  50.621   2.671  -1.598
  204    HB3  LYS 567           HB1      LYS 567  51.732   1.796  -2.650
  205    HG2  LYS 567           HG2      LYS 567  49.604   0.549  -2.218
  206    HG3  LYS 567           HG1      LYS 567  51.042  -0.330  -1.698
  207    HD2  LYS 567           HD2      LYS 567  50.645   0.120   0.586
  208    HD3  LYS 567           HD1      LYS 567  49.542   1.451   0.221
  209    HE2  LYS 567           HE2      LYS 567  47.782   0.030  -0.327
  210    HE3  LYS 567           HE1      LYS 567  48.855  -1.309  -0.727
  211    HZ1  LYS 567           HZ1      LYS 567  48.836  -0.312   2.028
  212    HZ2  LYS 567           HZ2      LYS 567  49.109  -1.886   1.448
  213    HZ3  LYS 567           HZ3      LYS 567  47.529  -1.264   1.513
  214    H    PHE 568           HN       PHE 568  54.050   1.447  -2.401
  215    HA   PHE 568           HA       PHE 568  55.132   4.190  -2.474
  216    HB2  PHE 568           HB2      PHE 568  56.734   1.821  -1.459
  217    HB3  PHE 568           HB1      PHE 568  57.489   3.283  -2.080
  218    HD1  PHE 568           HD1      PHE 568  57.293   5.418  -0.857
  219    HD2  PHE 568           HD2      PHE 568  55.574   1.790   0.674
  220    HE1  PHE 568           HE1      PHE 568  57.060   6.469   1.377
  221    HE2  PHE 568           HE2      PHE 568  55.336   2.844   2.905
  222    HZ   PHE 568           HZ       PHE 568  56.081   5.183   3.257
  223    H    HIS 569           HN       HIS 569  56.028   4.562  -4.528
  224    HA   HIS 569           HA       HIS 569  55.638   2.656  -6.618
  225    HB2  HIS 569           HB2      HIS 569  57.365   5.120  -6.357
  226    HB3  HIS 569           HB1      HIS 569  57.510   4.089  -7.776
  227    HD2  HIS 569           HD2      HIS 569  54.739   3.679  -9.013
  228    HE1  HIS 569           HE1      HIS 569  53.619   7.588  -7.871
  229    HE2  HIS 569           HE2      HIS 569  53.027   5.610  -9.360
  230    HA   PRO 570           HA       PRO 570  58.814  -0.287  -5.588
  231    HB2  PRO 570           HB2      PRO 570  59.262  -0.519  -8.501
  232    HB3  PRO 570           HB1      PRO 570  58.778  -1.753  -7.332
  233    HG2  PRO 570           HG2      PRO 570  57.069  -0.632  -9.180
  234    HG3  PRO 570           HG1      PRO 570  56.554  -1.380  -7.668
  235    HD2  PRO 570           HD2      PRO 570  56.543   1.466  -8.417
  236    HD3  PRO 570           HD1      PRO 570  55.699   0.650  -7.077
  237    H    GLU 571           HN       GLU 571  59.327   2.627  -7.230
  238    HA   GLU 571           HA       GLU 571  62.295   2.319  -7.108
  239    HB2  GLU 571           HB2      GLU 571  62.434   4.027  -8.809
  240    HB3  GLU 571           HB1      GLU 571  61.273   2.817  -9.358
  241    HG2  GLU 571           HG2      GLU 571  59.601   4.451  -8.002
  242    HG3  GLU 571           HG1      GLU 571  60.817   5.621  -8.501
  243    H    HIS 572           HN       HIS 572  59.577   3.880  -5.705
  244    HA   HIS 572           HA       HIS 572  61.269   6.082  -4.616
  245    HB2  HIS 572           HB2      HIS 572  58.262   5.664  -4.562
  246    HB3  HIS 572           HB1      HIS 572  59.093   7.015  -3.790
  247    HD2  HIS 572           HD2      HIS 572  61.265   7.074  -6.559
  248    HE1  HIS 572           HE1      HIS 572  57.795   8.616  -8.390
  249    HE2  HIS 572           HE2      HIS 572  60.311   8.352  -8.609
  250    H    PHE 573           HN       PHE 573  60.060   3.015  -3.812
  251    HA   PHE 573           HA       PHE 573  59.878   3.441  -0.928
  252    HB2  PHE 573           HB2      PHE 573  58.660   1.591  -2.114
  253    HB3  PHE 573           HB1      PHE 573  60.217   0.856  -2.480
  254    HD1  PHE 573           HD1      PHE 573  60.820  -0.896  -1.076
  255    HD2  PHE 573           HD2      PHE 573  58.560   2.379   0.537
  256    HE1  PHE 573           HE1      PHE 573  60.837  -1.982   1.153
  257    HE2  PHE 573           HE2      PHE 573  58.575   1.293   2.765
  258    HZ   PHE 573           HZ       PHE 573  59.713  -0.888   3.073
  259    H    VAL 574           HN       VAL 574  61.915   4.443  -0.512
  260    HA   VAL 574           HA       VAL 574  64.306   2.721  -0.969
  261    HB   VAL 574           HB       VAL 574  65.627   4.767  -0.594
  262   HG11  VAL 574          HG11      VAL 574  63.554   5.723  -2.502
  263   HG12  VAL 574          HG12      VAL 574  64.235   4.129  -2.825
  264   HG13  VAL 574          HG13      VAL 574  65.293   5.536  -2.729
  265   HG21  VAL 574          HG21      VAL 574  62.895   6.039  -0.212
  266   HG22  VAL 574          HG22      VAL 574  64.395   6.946  -0.412
  267   HG23  VAL 574          HG23      VAL 574  64.172   5.910   0.998
  268    H    CYS 575           HN       CYS 575  66.012   3.007   0.818
  269    HA   CYS 575           HA       CYS 575  64.829   2.140   3.335
  270    HB2  CYS 575           HB2      CYS 575  66.883   1.107   2.667
  271    HB3  CYS 575           HB1      CYS 575  67.665   2.663   2.419
  272    H    ALA 576           HN       ALA 576  64.408   3.406   5.097
  273    HA   ALA 576           HA       ALA 576  64.740   6.286   4.936
  274    HB1  ALA 576           HB1      ALA 576  63.905   4.448   7.198
  275    HB2  ALA 576           HB2      ALA 576  62.855   5.421   6.167
  276    HB3  ALA 576           HB3      ALA 576  63.920   6.207   7.331
  277    H    PHE 577           HN       PHE 577  67.243   5.035   4.635
  278    HA   PHE 577           HA       PHE 577  68.718   6.227   6.911
  279    HB2  PHE 577           HB2      PHE 577  68.352   3.626   7.144
  280    HB3  PHE 577           HB1      PHE 577  69.591   3.531   5.896
  281    HD1  PHE 577           HD1      PHE 577  68.935   5.353   9.122
  282    HD2  PHE 577           HD2      PHE 577  71.811   3.417   6.584
  283    HE1  PHE 577           HE1      PHE 577  70.692   5.716  10.833
  284    HE2  PHE 577           HE2      PHE 577  73.567   3.782   8.296
  285    HZ   PHE 577           HZ       PHE 577  73.007   4.932  10.421
  286    H    CYS 578           HN       CYS 578  69.321   4.230   4.018
  287    HA   CYS 578           HA       CYS 578  71.428   6.156   3.179
  288    HB2  CYS 578           HB2      CYS 578  71.812   4.326   1.394
  289    HB3  CYS 578           HB1      CYS 578  72.228   3.926   3.059
  290    H    LEU 579           HN       LEU 579  68.200   5.190   2.500
  291    HA   LEU 579           HA       LEU 579  66.654   5.841   0.874
  292    HB2  LEU 579           HB2      LEU 579  68.536   8.213   0.663
  293    HB3  LEU 579           HB1      LEU 579  66.878   8.161   0.066
  294    HG   LEU 579           HG       LEU 579  66.564   7.333   2.673
  295   HD11  LEU 579          HD11      LEU 579  67.874   8.756   4.102
  296   HD12  LEU 579          HD12      LEU 579  68.572   9.599   2.719
  297   HD13  LEU 579          HD13      LEU 579  69.001   7.919   3.037
  298   HD21  LEU 579          HD21      LEU 579  66.480  10.154   1.553
  299   HD22  LEU 579          HD22      LEU 579  65.705   9.643   3.052
  300   HD23  LEU 579          HD23      LEU 579  65.167   8.976   1.511
  301    H    LYS 580           HN       LYS 580  69.251   4.387   0.042
  302    HA   LYS 580           HA       LYS 580  69.807   5.290  -2.658
  303    HB2  LYS 580           HB2      LYS 580  71.015   3.149  -2.886
  304    HB3  LYS 580           HB1      LYS 580  71.430   3.938  -1.366
  305    HG2  LYS 580           HG2      LYS 580  69.513   2.509  -0.345
  306    HG3  LYS 580           HG1      LYS 580  69.651   1.544  -1.814
  307    HD2  LYS 580           HD2      LYS 580  72.296   1.947  -0.898
  308    HD3  LYS 580           HD1      LYS 580  71.342   1.532   0.525
  309    HE2  LYS 580           HE2      LYS 580  72.159  -0.523  -0.481
  310    HE3  LYS 580           HE1      LYS 580  70.415  -0.428  -0.727
  311    HZ1  LYS 580           HZ1      LYS 580  71.905   0.844  -2.818
  312    HZ2  LYS 580           HZ2      LYS 580  70.671  -0.320  -2.920
  313    HZ3  LYS 580           HZ3      LYS 580  72.280  -0.804  -2.671
  314    H    GLN 581           HN       GLN 581  68.007   2.491  -1.368
  315    HA   GLN 581           HA       GLN 581  65.796   2.712  -3.125
  316    HB2  GLN 581           HB2      GLN 581  68.047   1.762  -4.488
  317    HB3  GLN 581           HB1      GLN 581  67.154   0.302  -4.078
  318    HG2  GLN 581           HG2      GLN 581  65.312   2.329  -4.978
  319    HG3  GLN 581           HG1      GLN 581  66.597   2.134  -6.169
  320   HE21  GLN 581          HE21      GLN 581  63.926   0.487  -4.551
  321   HE22  GLN 581          HE22      GLN 581  63.908  -0.870  -5.569
  322    H    LEU 582           HN       LEU 582  64.363   0.766  -2.852
  323    HA   LEU 582           HA       LEU 582  65.251  -1.271  -0.956
  324    HB2  LEU 582           HB2      LEU 582  64.574   0.979   0.282
  325    HB3  LEU 582           HB1      LEU 582  62.944   0.355   0.040
  326    HG   LEU 582           HG       LEU 582  63.744  -1.820   1.049
  327   HD11  LEU 582          HD11      LEU 582  65.846  -0.912   2.639
  328   HD12  LEU 582          HD12      LEU 582  66.233  -0.309   1.030
  329   HD13  LEU 582          HD13      LEU 582  65.975  -2.034   1.286
  330   HD21  LEU 582          HD21      LEU 582  64.006  -0.596   3.418
  331   HD22  LEU 582          HD22      LEU 582  62.462  -0.651   2.568
  332   HD23  LEU 582          HD23      LEU 582  63.474   0.789   2.466
  333    H    ASN 583           HN       ASN 583  63.524  -2.844  -0.483
  334    HA   ASN 583           HA       ASN 583  61.080  -2.729  -2.109
  335    HB2  ASN 583           HB2      ASN 583  62.653  -3.568  -3.769
  336    HB3  ASN 583           HB1      ASN 583  63.266  -4.769  -2.633
  337   HD21  ASN 583          HD21      ASN 583  62.533  -6.745  -3.487
  338   HD22  ASN 583          HD22      ASN 583  60.917  -7.073  -3.889
  339    H    LYS 584           HN       LYS 584  59.495  -3.760  -0.988
  340    HA   LYS 584           HA       LYS 584  59.798  -4.797   1.600
  341    HB2  LYS 584           HB2      LYS 584  57.595  -4.264   0.952
  342    HB3  LYS 584           HB1      LYS 584  57.716  -5.187  -0.541
  343    HG2  LYS 584           HG2      LYS 584  56.299  -6.401   1.019
  344    HG3  LYS 584           HG1      LYS 584  57.804  -7.290   0.811
  345    HD2  LYS 584           HD2      LYS 584  57.440  -7.285   3.154
  346    HD3  LYS 584           HD1      LYS 584  58.638  -6.020   2.894
  347    HE2  LYS 584           HE2      LYS 584  56.925  -5.167   4.396
  348    HE3  LYS 584           HE1      LYS 584  56.775  -4.340   2.847
  349    HZ1  LYS 584           HZ1      LYS 584  54.662  -4.986   2.899
  350    HZ2  LYS 584           HZ2      LYS 584  54.929  -6.083   4.170
  351    HZ3  LYS 584           HZ3      LYS 584  55.218  -6.554   2.564
  352    H    GLY 585           HN       GLY 585  60.312  -6.353  -1.473
  353    HA2  GLY 585           HA2      GLY 585  60.092  -9.068  -0.860
  354    HA3  GLY 585           HA1      GLY 585  61.273  -8.423  -1.991
  355    H    THR 586           HN       THR 586  62.752  -6.865   0.007
  356    HA   THR 586           HA       THR 586  63.685  -8.915   1.935
  357    HB   THR 586           HB       THR 586  66.048  -8.684   1.150
  358    HG1  THR 586           HG1      THR 586  64.811  -7.413  -1.062
  359   HG21  THR 586          HG21      THR 586  64.540 -10.564   0.416
  360   HG22  THR 586          HG22      THR 586  65.832 -10.192  -0.724
  361   HG23  THR 586          HG23      THR 586  64.189  -9.638  -1.044
  362    H    PHE 587           HN       PHE 587  62.461  -6.255   2.263
  363    HA   PHE 587           HA       PHE 587  64.763  -4.659   3.264
  364    HB2  PHE 587           HB2      PHE 587  63.465  -2.790   3.059
  365    HB3  PHE 587           HB1      PHE 587  62.546  -3.789   1.951
  366    HD1  PHE 587           HD1      PHE 587  60.934  -5.548   3.457
  367    HD2  PHE 587           HD2      PHE 587  62.103  -1.540   4.470
  368    HE1  PHE 587           HE1      PHE 587  58.956  -5.342   4.936
  369    HE2  PHE 587           HE2      PHE 587  60.120  -1.335   5.944
  370    HZ   PHE 587           HZ       PHE 587  58.548  -3.237   6.178
  371    H    LYS 588           HN       LYS 588  64.046  -3.439   5.378
  372    HA   LYS 588           HA       LYS 588  62.708  -5.243   7.311
  373    HB2  LYS 588           HB2      LYS 588  65.567  -4.270   7.440
  374    HB3  LYS 588           HB1      LYS 588  64.671  -4.614   8.917
  375    HG2  LYS 588           HG2      LYS 588  64.931  -6.614   6.656
  376    HG3  LYS 588           HG1      LYS 588  66.067  -6.537   8.001
  377    HD2  LYS 588           HD2      LYS 588  64.664  -7.828   9.194
  378    HD3  LYS 588           HD1      LYS 588  63.508  -6.497   9.185
  379    HE2  LYS 588           HE2      LYS 588  62.470  -7.313   7.171
  380    HE3  LYS 588           HE1      LYS 588  63.737  -8.518   6.940
  381    HZ1  LYS 588           HZ1      LYS 588  61.602  -9.333   7.957
  382    HZ2  LYS 588           HZ2      LYS 588  62.016  -8.453   9.349
  383    HZ3  LYS 588           HZ3      LYS 588  63.016  -9.716   8.811
  384    H    GLU 589           HN       GLU 589  62.362  -3.906   9.428
  385    HA   GLU 589           HA       GLU 589  62.352  -0.996   8.847
  386    HB2  GLU 589           HB2      GLU 589  60.077  -0.702   9.143
  387    HB3  GLU 589           HB1      GLU 589  60.090  -2.281   8.359
  388    HG2  GLU 589           HG2      GLU 589  60.217  -3.233  10.775
  389    HG3  GLU 589           HG1      GLU 589  59.686  -1.628  11.275
  390    H    GLN 590           HN       GLN 590  62.336   0.323  10.680
  391    HA   GLN 590           HA       GLN 590  62.352  -0.876  13.364
  392    HB2  GLN 590           HB2      GLN 590  64.721  -1.063  12.383
  393    HB3  GLN 590           HB1      GLN 590  64.760   0.697  12.419
  394    HG2  GLN 590           HG2      GLN 590  65.751   0.005  14.468
  395    HG3  GLN 590           HG1      GLN 590  64.122   0.524  14.891
  396   HE21  GLN 590          HE21      GLN 590  65.028  -2.561  13.314
  397   HE22  GLN 590          HE22      GLN 590  64.473  -3.551  14.576
  398    H    ASN 591           HN       ASN 591  61.966   0.748  14.956
  399    HA   ASN 591           HA       ASN 591  61.065   2.774  15.714
  400    HB2  ASN 591           HB2      ASN 591  63.078   3.699  13.658
  401    HB3  ASN 591           HB1      ASN 591  62.154   4.829  14.641
  402   HD21  ASN 591          HD21      ASN 591  65.048   3.140  14.571
  403   HD22  ASN 591          HD22      ASN 591  65.394   3.131  16.233
  404    H    ASP 592           HN       ASP 592  59.896   1.380  13.208
  405    HA   ASP 592           HA       ASP 592  57.882   1.763  12.043
  406    HB2  ASP 592           HB2      ASP 592  57.677   3.646  13.952
  407    HB3  ASP 592           HB1      ASP 592  57.883   4.697  12.548
  408    H    LYS 593           HN       LYS 593  60.637   2.123  10.930
  409    HA   LYS 593           HA       LYS 593  59.771   3.551   8.484
  410    HB2  LYS 593           HB2      LYS 593  62.491   4.251   8.758
  411    HB3  LYS 593           HB1      LYS 593  61.099   5.324   8.835
  412    HG2  LYS 593           HG2      LYS 593  60.922   4.661  11.311
  413    HG3  LYS 593           HG1      LYS 593  62.538   3.981  11.121
  414    HD2  LYS 593           HD2      LYS 593  63.347   6.183  10.305
  415    HD3  LYS 593           HD1      LYS 593  61.739   6.854  10.575
  416    HE2  LYS 593           HE2      LYS 593  61.918   6.225  12.981
  417    HE3  LYS 593           HE1      LYS 593  63.566   5.667  12.685
  418    HZ1  LYS 593           HZ1      LYS 593  63.849   7.831  13.413
  419    HZ2  LYS 593           HZ2      LYS 593  62.494   8.413  12.569
  420    HZ3  LYS 593           HZ3      LYS 593  63.911   8.001  11.726
  421    HA   PRO 594           HA       PRO 594  61.678   0.113   6.503
  422    HB2  PRO 594           HB2      PRO 594  62.557   1.305   4.191
  423    HB3  PRO 594           HB1      PRO 594  60.875   0.876   4.517
  424    HG2  PRO 594           HG2      PRO 594  62.198   3.542   4.615
  425    HG3  PRO 594           HG1      PRO 594  60.546   3.125   4.155
  426    HD2  PRO 594           HD2      PRO 594  61.251   4.230   6.604
  427    HD3  PRO 594           HD1      PRO 594  59.777   3.267   6.329
  428    H    TYR 595           HN       TYR 595  63.639  -0.846   5.954
  429    HA   TYR 595           HA       TYR 595  66.153   0.638   5.878
  430    HB2  TYR 595           HB2      TYR 595  65.447  -1.144   8.236
  431    HB3  TYR 595           HB1      TYR 595  67.099  -0.692   7.831
  432    HD1  TYR 595           HD1      TYR 595  67.621   1.837   7.626
  433    HD2  TYR 595           HD2      TYR 595  64.119   0.276   9.554
  434    HE1  TYR 595           HE1      TYR 595  67.324   3.986   8.831
  435    HE2  TYR 595           HE2      TYR 595  63.826   2.422  10.755
  436    HH   TYR 595           HH       TYR 595  65.472   5.249   9.899
  437    H    CYS 596           HN       CYS 596  67.349  -0.524   4.375
  438    HA   CYS 596           HA       CYS 596  66.508  -2.970   3.258
  439    HB2  CYS 596           HB2      CYS 596  69.451  -2.552   3.423
  440    HB3  CYS 596           HB1      CYS 596  68.449  -2.925   2.024
  441    H    GLN 597           HN       GLN 597  67.001  -5.135   3.725
  442    HA   GLN 597           HA       GLN 597  67.250  -5.933   6.401
  443    HB2  GLN 597           HB2      GLN 597  66.670  -7.774   5.178
  444    HB3  GLN 597           HB1      GLN 597  67.522  -7.188   3.755
  445    HG2  GLN 597           HG2      GLN 597  68.555  -9.262   4.557
  446    HG3  GLN 597           HG1      GLN 597  69.673  -7.916   4.752
  447   HE21  GLN 597          HE21      GLN 597  67.076  -7.842   7.028
  448   HE22  GLN 597          HE22      GLN 597  67.925  -8.484   8.349
  449    H    ASN 598           HN       ASN 598  69.750  -5.253   4.008
  450    HA   ASN 598           HA       ASN 598  71.996  -6.069   5.613
  451    HB2  ASN 598           HB2      ASN 598  72.215  -5.716   3.190
  452    HB3  ASN 598           HB1      ASN 598  71.807  -4.012   3.386
  453   HD21  ASN 598          HD21      ASN 598  74.261  -6.445   4.385
  454   HD22  ASN 598          HD22      ASN 598  75.522  -5.323   4.561
  455    H    CYS 599           HN       CYS 599  70.198  -3.044   5.227
  456    HA   CYS 599           HA       CYS 599  71.900  -1.460   6.948
  457    HB2  CYS 599           HB2      CYS 599  69.122  -1.173   5.836
  458    HB3  CYS 599           HB1      CYS 599  69.607  -0.135   7.172
  459    H    PHE 600           HN       PHE 600  68.641  -2.865   7.503
  460    HA   PHE 600           HA       PHE 600  68.454  -2.489  10.283
  461    HB2  PHE 600           HB2      PHE 600  66.577  -3.411   9.107
  462    HB3  PHE 600           HB1      PHE 600  67.532  -4.751   8.486
  463    HD1  PHE 600           HD1      PHE 600  68.267  -6.586  10.006
  464    HD2  PHE 600           HD2      PHE 600  65.617  -3.469  11.320
  465    HE1  PHE 600           HE1      PHE 600  67.615  -7.964  11.960
  466    HE2  PHE 600           HE2      PHE 600  64.967  -4.850  13.274
  467    HZ   PHE 600           HZ       PHE 600  65.965  -7.095  13.595
  468    H    LEU 601           HN       LEU 601  70.000  -5.114   8.482
  469    HA   LEU 601           HA       LEU 601  70.964  -6.636  10.691
  470    HB2  LEU 601           HB2      LEU 601  70.961  -7.483   8.396
  471    HB3  LEU 601           HB1      LEU 601  72.074  -6.216   7.899
  472    HG   LEU 601           HG       LEU 601  73.679  -7.182   9.677
  473   HD11  LEU 601          HD11      LEU 601  71.732  -9.488   9.354
  474   HD12  LEU 601          HD12      LEU 601  72.020  -8.579  10.837
  475   HD13  LEU 601          HD13      LEU 601  73.298  -9.587  10.160
  476   HD21  LEU 601          HD21      LEU 601  72.875  -8.521   7.097
  477   HD22  LEU 601          HD22      LEU 601  74.238  -9.124   8.043
  478   HD23  LEU 601          HD23      LEU 601  74.261  -7.477   7.410
  479    H    LYS 602           HN       LYS 602  71.985  -3.672   9.213
  480    HA   LYS 602           HA       LYS 602  74.593  -3.593  10.585
  481    HB2  LYS 602           HB2      LYS 602  73.643  -2.519   8.229
  482    HB3  LYS 602           HB1      LYS 602  73.575  -1.136   9.313
  483    HG2  LYS 602           HG2      LYS 602  75.748  -1.060   8.390
  484    HG3  LYS 602           HG1      LYS 602  75.970  -1.759   9.994
  485    HD2  LYS 602           HD2      LYS 602  77.239  -3.156   8.547
  486    HD3  LYS 602           HD1      LYS 602  75.751  -4.052   8.844
  487    HE2  LYS 602           HE2      LYS 602  74.902  -3.611   6.709
  488    HE3  LYS 602           HE1      LYS 602  75.919  -2.187   6.490
  489    HZ1  LYS 602           HZ1      LYS 602  76.764  -5.030   6.445
  490    HZ2  LYS 602           HZ2      LYS 602  77.857  -3.730   6.491
  491    HZ3  LYS 602           HZ3      LYS 602  76.812  -3.919   5.164
  492    H    LEU 603           HN       LEU 603  71.406  -2.035  10.769
  493    HA   LEU 603           HA       LEU 603  72.250  -0.282  12.965
  494    HB2  LEU 603           HB2      LEU 603  69.375  -0.746  12.226
  495    HB3  LEU 603           HB1      LEU 603  70.152   0.728  12.782
  496    HG   LEU 603           HG       LEU 603  70.418  -0.543  10.053
  497   HD11  LEU 603          HD11      LEU 603  69.306   2.116  10.983
  498   HD12  LEU 603          HD12      LEU 603  68.359   0.743  10.406
  499   HD13  LEU 603          HD13      LEU 603  69.436   1.598   9.302
  500   HD21  LEU 603          HD21      LEU 603  71.809   1.523   9.560
  501   HD22  LEU 603          HD22      LEU 603  72.592   0.336  10.602
  502   HD23  LEU 603          HD23      LEU 603  71.886   1.793  11.302
  503    H    PHE 604           HN       PHE 604  69.805  -2.859  12.615
  504    HA   PHE 604           HA       PHE 604  69.393  -3.095  15.464
  505    HB2  PHE 604           HB2      PHE 604  67.848  -3.785  13.462
  506    HB3  PHE 604           HB1      PHE 604  68.750  -5.299  13.525
  507    HD1  PHE 604           HD1      PHE 604  68.262  -6.934  15.164
  508    HD2  PHE 604           HD2      PHE 604  66.758  -2.936  15.625
  509    HE1  PHE 604           HE1      PHE 604  66.888  -7.672  17.092
  510    HE2  PHE 604           HE2      PHE 604  65.385  -3.675  17.552
  511    HZ   PHE 604           HZ       PHE 604  65.450  -6.043  18.286
  512    H    CYS 605           HN       CYS 605  71.732  -4.396  13.270
  513    HA   CYS 605           HA       CYS 605  72.893  -5.959  15.515
  514    HB2  CYS 605           HB2      CYS 605  71.407  -7.375  13.869
  515    HB3  CYS 605           HB1      CYS 605  72.797  -7.234  12.793
  516    HG   CYS 605           HG       CYS 605  74.212  -8.226  14.932
  Start of MODEL    5
    1    H    TYR 541           HT1      TYR 541  34.308   7.558 -13.543
    2    HA   TYR 541           HA       TYR 541  34.818   5.801 -15.063
    3    HB2  TYR 541           HB2      TYR 541  36.637   8.217 -15.169
    4    HB3  TYR 541           HB1      TYR 541  36.557   7.042 -16.481
    5    HD1  TYR 541           HD1      TYR 541  34.590   6.851 -17.891
    6    HD2  TYR 541           HD2      TYR 541  34.673   9.600 -14.591
    7    HE1  TYR 541           HE1      TYR 541  32.541   7.949 -18.753
    8    HE2  TYR 541           HE2      TYR 541  32.624  10.697 -15.454
    9    HH   TYR 541           HH       TYR 541  31.532  10.438 -18.466
   10    H    HIS 542           HN       HIS 542  35.765   3.852 -14.720
   11    HA   HIS 542           HA       HIS 542  37.409   2.234 -14.374
   12    HB2  HIS 542           HB2      HIS 542  38.497   3.536 -16.236
   13    HB3  HIS 542           HB1      HIS 542  39.359   4.461 -15.013
   14    HD1  HIS 542           HD1      HIS 542  40.328   2.432 -13.060
   15    HD2  HIS 542           HD2      HIS 542  40.274   1.645 -17.154
   16    HE1  HIS 542           HE1      HIS 542  41.994   0.567 -13.454
   17    H    GLU 543           HN       GLU 543  39.466   4.899 -13.304
   18    HA   GLU 543           HA       GLU 543  40.383   5.404 -11.213
   19    HB2  GLU 543           HB2      GLU 543  37.933   3.977 -10.128
   20    HB3  GLU 543           HB1      GLU 543  38.988   5.066  -9.232
   21    HG2  GLU 543           HG2      GLU 543  37.890   6.872 -10.007
   22    HG3  GLU 543           HG1      GLU 543  38.086   6.336 -11.675
   23    H    ARG 544           HN       ARG 544  41.450   4.355  -9.337
   24    HA   ARG 544           HA       ARG 544  42.865   2.670  -8.526
   25    HB2  ARG 544           HB2      ARG 544  40.205   1.414  -8.945
   26    HB3  ARG 544           HB1      ARG 544  41.559   0.306  -8.726
   27    HG2  ARG 544           HG2      ARG 544  41.227   2.650  -6.872
   28    HG3  ARG 544           HG1      ARG 544  40.283   1.185  -6.619
   29    HD2  ARG 544           HD2      ARG 544  42.851   0.228  -7.079
   30    HD3  ARG 544           HD1      ARG 544  43.125   1.673  -6.113
   31    HE   ARG 544           HE       ARG 544  42.274  -0.782  -5.060
   32   HH11  ARG 544          HH11      ARG 544  41.043  -1.020  -3.203
   33   HH12  ARG 544          HH12      ARG 544  40.116   0.317  -2.610
   34   HH21  ARG 544          HH21      ARG 544  41.104   2.476  -5.123
   35   HH22  ARG 544          HH22      ARG 544  40.149   2.285  -3.694
   36    H    ARG 545           HN       ARG 545  44.265   3.041 -10.451
   37    HA   ARG 545           HA       ARG 545  44.003   1.207 -12.719
   38    HB2  ARG 545           HB2      ARG 545  46.396   2.918 -12.004
   39    HB3  ARG 545           HB1      ARG 545  45.968   2.277 -13.589
   40    HG2  ARG 545           HG2      ARG 545  43.769   3.626 -13.313
   41    HG3  ARG 545           HG1      ARG 545  44.629   4.488 -12.036
   42    HD2  ARG 545           HD2      ARG 545  46.409   5.092 -13.617
   43    HD3  ARG 545           HD1      ARG 545  45.594   4.192 -14.897
   44    HE   ARG 545           HE       ARG 545  43.678   5.998 -14.017
   45   HH11  ARG 545          HH11      ARG 545  43.430   8.048 -14.920
   46   HH12  ARG 545          HH12      ARG 545  44.772   8.801 -15.713
   47   HH21  ARG 545          HH21      ARG 545  46.938   6.160 -15.144
   48   HH22  ARG 545          HH22      ARG 545  46.755   7.735 -15.839
   49    H    GLY 546           HN       GLY 546  45.707   1.286  -9.664
   50    HA2  GLY 546           HA2      GLY 546  46.358  -1.497  -9.785
   51    HA3  GLY 546           HA1      GLY 546  47.790  -0.547 -10.184
   52    H    SER 547           HN       SER 547  48.961  -0.927  -8.318
   53    HA   SER 547           HA       SER 547  47.718  -0.457  -5.674
   54    HB2  SER 547           HB2      SER 547  49.974  -1.939  -6.715
   55    HB3  SER 547           HB1      SER 547  50.486  -0.903  -5.387
   56    HG   SER 547           HG       SER 547  48.654  -1.788  -4.215
   57    H    LEU 548           HN       LEU 548  47.885   1.502  -4.660
   58    HA   LEU 548           HA       LEU 548  49.324   3.684  -5.904
   59    HB2  LEU 548           HB2      LEU 548  47.723   3.349  -3.391
   60    HB3  LEU 548           HB1      LEU 548  48.753   4.764  -3.560
   61    HG   LEU 548           HG       LEU 548  47.641   5.398  -5.628
   62   HD11  LEU 548          HD11      LEU 548  46.218   2.759  -5.261
   63   HD12  LEU 548          HD12      LEU 548  47.133   3.322  -6.660
   64   HD13  LEU 548          HD13      LEU 548  45.566   4.038  -6.285
   65   HD21  LEU 548          HD21      LEU 548  45.423   5.912  -4.744
   66   HD22  LEU 548          HD22      LEU 548  46.610   6.062  -3.449
   67   HD23  LEU 548          HD23      LEU 548  45.577   4.635  -3.538
   68    H    CYS 549           HN       CYS 549  51.304   4.535  -5.360
   69    HA   CYS 549           HA       CYS 549  53.098   2.885  -3.743
   70    HB2  CYS 549           HB2      CYS 549  54.339   3.783  -5.457
   71    HB3  CYS 549           HB1      CYS 549  53.338   5.226  -5.565
   72    H    SER 550           HN       SER 550  52.917   3.077  -1.552
   73    HA   SER 550           HA       SER 550  51.651   5.167  -0.178
   74    HB2  SER 550           HB2      SER 550  54.004   3.542   0.825
   75    HB3  SER 550           HB1      SER 550  52.866   4.436   1.826
   76    HG   SER 550           HG       SER 550  52.524   2.078   0.347
   77    H    GLY 551           HN       GLY 551  52.142   7.244  -0.370
   78    HA2  GLY 551           HA2      GLY 551  53.842   8.990   0.375
   79    HA3  GLY 551           HA1      GLY 551  55.012   8.067  -0.580
   80    H    CYS 552           HN       CYS 552  53.018   7.397  -2.630
   81    HA   CYS 552           HA       CYS 552  52.961  10.022  -4.064
   82    HB2  CYS 552           HB2      CYS 552  53.338   7.181  -4.897
   83    HB3  CYS 552           HB1      CYS 552  52.487   8.244  -6.016
   84    H    GLN 553           HN       GLN 553  51.028   7.318  -2.951
   85    HA   GLN 553           HA       GLN 553  48.717   6.959  -2.938
   86    HB2  GLN 553           HB2      GLN 553  48.761   9.974  -3.294
   87    HB3  GLN 553           HB1      GLN 553  47.292   9.043  -3.006
   88    HG2  GLN 553           HG2      GLN 553  47.962   9.760  -0.851
   89    HG3  GLN 553           HG1      GLN 553  48.508   8.089  -0.944
   90   HE21  GLN 553          HE21      GLN 553  50.459   8.086   0.214
   91   HE22  GLN 553          HE22      GLN 553  51.745   9.157  -0.070
   92    H    LYS 554           HN       LYS 554  50.288   6.862  -5.432
   93    HA   LYS 554           HA       LYS 554  48.020   7.089  -7.352
   94    HB2  LYS 554           HB2      LYS 554  50.904   7.921  -7.820
   95    HB3  LYS 554           HB1      LYS 554  49.710   7.745  -9.105
   96    HG2  LYS 554           HG2      LYS 554  49.376   9.583  -6.717
   97    HG3  LYS 554           HG1      LYS 554  49.960  10.108  -8.294
   98    HD2  LYS 554           HD2      LYS 554  47.804   9.073  -9.247
   99    HD3  LYS 554           HD1      LYS 554  47.232   9.025  -7.580
  100    HE2  LYS 554           HE2      LYS 554  48.275  11.544  -8.900
  101    HE3  LYS 554           HE1      LYS 554  46.568  11.105  -8.866
  102    HZ1  LYS 554           HZ1      LYS 554  48.250  11.333  -6.434
  103    HZ2  LYS 554           HZ2      LYS 554  46.561  11.161  -6.509
  104    HZ3  LYS 554           HZ3      LYS 554  47.296  12.601  -7.032
  105    HA   PRO 555           HA       PRO 555  48.743   2.799  -8.037
  106    HB2  PRO 555           HB2      PRO 555  48.647   3.362 -10.926
  107    HB3  PRO 555           HB1      PRO 555  47.625   2.308  -9.942
  108    HG2  PRO 555           HG2      PRO 555  46.885   4.803 -10.938
  109    HG3  PRO 555           HG1      PRO 555  46.073   3.948  -9.624
  110    HD2  PRO 555           HD2      PRO 555  47.659   6.387  -9.485
  111    HD3  PRO 555           HD1      PRO 555  46.724   5.598  -8.189
  112    H    ILE 556           HN       ILE 556  50.332   1.355  -8.755
  113    HA   ILE 556           HA       ILE 556  52.895   2.632  -9.584
  114    HB   ILE 556           HB       ILE 556  52.266   0.084  -8.067
  115   HG12  ILE 556          HG12      ILE 556  53.982   2.380  -7.134
  116   HG13  ILE 556          HG11      ILE 556  52.229   2.494  -7.019
  117   HG21  ILE 556          HG21      ILE 556  54.818   0.011  -7.827
  118   HG22  ILE 556          HG22      ILE 556  54.878   1.163  -9.160
  119   HG23  ILE 556          HG23      ILE 556  54.178  -0.435  -9.408
  120   HD11  ILE 556          HD11      ILE 556  52.428   1.394  -5.055
  121   HD12  ILE 556          HD12      ILE 556  54.096   0.937  -5.394
  122   HD13  ILE 556          HD13      ILE 556  52.770  -0.043  -6.019
  123    H    THR 557           HN       THR 557  52.700   2.532 -11.832
  124    HA   THR 557           HA       THR 557  51.794   0.085 -13.158
  125    HB   THR 557           HB       THR 557  52.427   1.357 -15.245
  126    HG1  THR 557           HG1      THR 557  54.071   2.601 -14.179
  127   HG21  THR 557          HG21      THR 557  50.171   1.588 -14.594
  128   HG22  THR 557          HG22      THR 557  50.731   3.253 -14.755
  129   HG23  THR 557          HG23      THR 557  50.588   2.521 -13.156
  130    H    GLY 558           HN       GLY 558  53.177  -1.608 -12.982
  131    HA2  GLY 558           HA2      GLY 558  55.183  -2.534 -14.236
  132    HA3  GLY 558           HA1      GLY 558  56.071  -1.152 -13.587
  133    H    ARG 559           HN       ARG 559  57.525  -2.446 -12.343
  134    HA   ARG 559           HA       ARG 559  56.673  -4.518 -10.550
  135    HB2  ARG 559           HB2      ARG 559  59.131  -2.806 -10.811
  136    HB3  ARG 559           HB1      ARG 559  58.914  -3.772  -9.353
  137    HG2  ARG 559           HG2      ARG 559  58.396  -5.182 -11.911
  138    HG3  ARG 559           HG1      ARG 559  60.075  -4.729 -11.616
  139    HD2  ARG 559           HD2      ARG 559  60.206  -6.011  -9.647
  140    HD3  ARG 559           HD1      ARG 559  58.452  -6.082  -9.466
  141    HE   ARG 559           HE       ARG 559  58.927  -7.392 -11.864
  142   HH11  ARG 559          HH11      ARG 559  59.284  -9.612 -11.993
  143   HH12  ARG 559          HH12      ARG 559  59.903 -10.461 -10.618
  144   HH21  ARG 559          HH21      ARG 559  60.072  -7.641  -8.615
  145   HH22  ARG 559          HH22      ARG 559  60.349  -9.348  -8.709
  146    H    CYS 560           HN       CYS 560  56.720  -4.297  -8.117
  147    HA   CYS 560           HA       CYS 560  56.268  -1.598  -7.055
  148    HB2  CYS 560           HB2      CYS 560  53.994  -1.969  -6.330
  149    HB3  CYS 560           HB1      CYS 560  54.063  -2.279  -8.064
  150    HG   CYS 560           HG       CYS 560  53.357  -4.607  -7.629
  151    H    ILE 561           HN       ILE 561  56.769  -1.511  -4.926
  152    HA   ILE 561           HA       ILE 561  57.649  -4.026  -3.640
  153    HB   ILE 561           HB       ILE 561  57.841  -1.320  -2.347
  154   HG12  ILE 561          HG12      ILE 561  58.577  -0.982  -4.687
  155   HG13  ILE 561          HG11      ILE 561  59.941  -0.899  -3.580
  156   HG21  ILE 561          HG21      ILE 561  60.140  -2.450  -1.797
  157   HG22  ILE 561          HG22      ILE 561  59.329  -3.930  -2.303
  158   HG23  ILE 561          HG23      ILE 561  58.688  -2.990  -0.953
  159   HD11  ILE 561          HD11      ILE 561  59.192  -3.117  -5.475
  160   HD12  ILE 561          HD12      ILE 561  60.224  -3.435  -4.081
  161   HD13  ILE 561          HD13      ILE 561  60.735  -2.281  -5.311
  162    H    THR 562           HN       THR 562  56.822  -4.708  -1.609
  163    HA   THR 562           HA       THR 562  54.316  -3.346  -0.712
  164    HB   THR 562           HB       THR 562  54.791  -6.339  -0.893
  165    HG1  THR 562           HG1      THR 562  54.316  -5.211  -2.872
  166   HG21  THR 562          HG21      THR 562  52.596  -4.644   0.281
  167   HG22  THR 562          HG22      THR 562  53.408  -6.042   0.983
  168   HG23  THR 562          HG23      THR 562  52.249  -6.263  -0.327
  169    H    ALA 563           HN       ALA 563  54.995  -2.449   1.176
  170    HA   ALA 563           HA       ALA 563  56.847  -3.933   2.935
  171    HB1  ALA 563           HB1      ALA 563  57.079  -1.457   2.489
  172    HB2  ALA 563           HB2      ALA 563  56.999  -1.882   4.198
  173    HB3  ALA 563           HB3      ALA 563  55.579  -1.220   3.386
  174    H    MET 564           HN       MET 564  55.214  -2.223   5.089
  175    HA   MET 564           HA       MET 564  53.778  -4.499   6.157
  176    HB2  MET 564           HB2      MET 564  53.675  -1.567   6.922
  177    HB3  MET 564           HB1      MET 564  53.038  -2.896   7.888
  178    HG2  MET 564           HG2      MET 564  55.199  -3.771   8.316
  179    HG3  MET 564           HG1      MET 564  55.929  -2.832   7.016
  180    HE1  MET 564           HE1      MET 564  56.043  -0.622   6.783
  181    HE2  MET 564           HE2      MET 564  57.414  -0.461   7.878
  182    HE3  MET 564           HE3      MET 564  56.055   0.651   8.012
  183    H    ALA 565           HN       ALA 565  52.696  -4.489   3.837
  184    HA   ALA 565           HA       ALA 565  50.578  -4.518   2.800
  185    HB1  ALA 565           HB1      ALA 565  49.805  -4.233   5.354
  186    HB2  ALA 565           HB2      ALA 565  48.671  -4.047   4.018
  187    HB3  ALA 565           HB3      ALA 565  49.379  -2.622   4.777
  188    H    LYS 566           HN       LYS 566  52.469  -1.858   3.625
  189    HA   LYS 566           HA       LYS 566  50.994   0.081   1.951
  190    HB2  LYS 566           HB2      LYS 566  53.231   0.165   3.892
  191    HB3  LYS 566           HB1      LYS 566  53.380   1.280   2.534
  192    HG2  LYS 566           HG2      LYS 566  51.096   2.136   3.010
  193    HG3  LYS 566           HG1      LYS 566  51.003   1.062   4.406
  194    HD2  LYS 566           HD2      LYS 566  53.216   3.098   4.056
  195    HD3  LYS 566           HD1      LYS 566  51.716   3.456   4.912
  196    HE2  LYS 566           HE2      LYS 566  52.779   2.641   6.745
  197    HE3  LYS 566           HE1      LYS 566  52.466   1.054   6.042
  198    HZ1  LYS 566           HZ1      LYS 566  54.903   2.702   5.634
  199    HZ2  LYS 566           HZ2      LYS 566  54.599   1.206   4.888
  200    HZ3  LYS 566           HZ3      LYS 566  54.793   1.295   6.574
  201    H    LYS 567           HN       LYS 567  51.515   0.457  -0.171
  202    HA   LYS 567           HA       LYS 567  53.712  -1.151  -1.331
  203    HB2  LYS 567           HB2      LYS 567  51.315   0.278  -2.454
  204    HB3  LYS 567           HB1      LYS 567  52.649  -0.186  -3.511
  205    HG2  LYS 567           HG2      LYS 567  50.867  -1.930  -3.395
  206    HG3  LYS 567           HG1      LYS 567  52.432  -2.516  -2.832
  207    HD2  LYS 567           HD2      LYS 567  51.785  -2.462  -0.569
  208    HD3  LYS 567           HD1      LYS 567  50.452  -1.348  -0.884
  209    HE2  LYS 567           HE2      LYS 567  49.078  -3.019  -1.759
  210    HE3  LYS 567           HE1      LYS 567  50.440  -4.062  -2.164
  211    HZ1  LYS 567           HZ1      LYS 567  50.602  -4.836  -0.052
  212    HZ2  LYS 567           HZ2      LYS 567  48.937  -4.496  -0.063
  213    HZ3  LYS 567           HZ3      LYS 567  50.026  -3.404   0.653
  214    H    PHE 568           HN       PHE 568  54.962  -0.003  -3.136
  215    HA   PHE 568           HA       PHE 568  55.362   2.899  -2.787
  216    HB2  PHE 568           HB2      PHE 568  57.452   0.851  -1.975
  217    HB3  PHE 568           HB1      PHE 568  57.839   2.531  -2.323
  218    HD1  PHE 568           HD1      PHE 568  56.240   0.212   0.034
  219    HD2  PHE 568           HD2      PHE 568  57.072   4.338  -0.833
  220    HE1  PHE 568           HE1      PHE 568  55.659   0.819   2.366
  221    HE2  PHE 568           HE2      PHE 568  56.487   4.944   1.500
  222    HZ   PHE 568           HZ       PHE 568  55.781   3.185   3.099
  223    H    HIS 569           HN       HIS 569  56.224   3.751  -4.703
  224    HA   HIS 569           HA       HIS 569  56.413   2.109  -7.036
  225    HB2  HIS 569           HB2      HIS 569  57.443   4.863  -6.346
  226    HB3  HIS 569           HB1      HIS 569  57.909   4.105  -7.865
  227    HD2  HIS 569           HD2      HIS 569  55.379   3.185  -9.338
  228    HE1  HIS 569           HE1      HIS 569  53.270   6.524  -7.843
  229    HE2  HIS 569           HE2      HIS 569  53.254   4.669  -9.586
  230    HA   PRO 570           HA       PRO 570  60.169  -0.096  -6.119
  231    HB2  PRO 570           HB2      PRO 570  60.789   0.217  -8.997
  232    HB3  PRO 570           HB1      PRO 570  60.608  -1.254  -8.034
  233    HG2  PRO 570           HG2      PRO 570  58.730  -0.375  -9.840
  234    HG3  PRO 570           HG1      PRO 570  58.372  -1.414  -8.459
  235    HD2  PRO 570           HD2      PRO 570  57.660   1.414  -8.878
  236    HD3  PRO 570           HD1      PRO 570  56.997   0.246  -7.707
  237    H    GLU 571           HN       GLU 571  60.040   3.063  -7.355
  238    HA   GLU 571           HA       GLU 571  62.981   3.441  -6.976
  239    HB2  GLU 571           HB2      GLU 571  62.734   5.460  -8.378
  240    HB3  GLU 571           HB1      GLU 571  62.198   4.019  -9.241
  241    HG2  GLU 571           HG2      GLU 571  59.874   4.526  -8.768
  242    HG3  GLU 571           HG1      GLU 571  60.335   5.872  -7.732
  243    H    HIS 572           HN       HIS 572  59.877   4.119  -5.680
  244    HA   HIS 572           HA       HIS 572  60.896   6.500  -4.204
  245    HB2  HIS 572           HB2      HIS 572  58.090   5.366  -4.454
  246    HB3  HIS 572           HB1      HIS 572  58.515   6.773  -3.479
  247    HD2  HIS 572           HD2      HIS 572  60.746   7.679  -6.061
  248    HE1  HIS 572           HE1      HIS 572  57.087   8.567  -7.959
  249    HE2  HIS 572           HE2      HIS 572  59.600   8.931  -8.027
  250    H    PHE 573           HN       PHE 573  60.486   3.162  -3.863
  251    HA   PHE 573           HA       PHE 573  59.975   3.126  -0.992
  252    HB2  PHE 573           HB2      PHE 573  59.404   1.210  -2.512
  253    HB3  PHE 573           HB1      PHE 573  61.126   0.956  -2.772
  254    HD1  PHE 573           HD1      PHE 573  61.966  -0.842  -1.560
  255    HD2  PHE 573           HD2      PHE 573  58.965   1.653   0.227
  256    HE1  PHE 573           HE1      PHE 573  62.085  -2.188   0.518
  257    HE2  PHE 573           HE2      PHE 573  59.082   0.308   2.305
  258    HZ   PHE 573           HZ       PHE 573  60.641  -1.612   2.450
  259    H    VAL 574           HN       VAL 574  61.626   4.557  -0.240
  260    HA   VAL 574           HA       VAL 574  64.417   3.563  -0.574
  261    HB   VAL 574           HB       VAL 574  65.111   5.821   0.154
  262   HG11  VAL 574          HG11      VAL 574  64.866   6.657  -1.953
  263   HG12  VAL 574          HG12      VAL 574  63.110   6.505  -1.915
  264   HG13  VAL 574          HG13      VAL 574  64.108   5.100  -2.288
  265   HG21  VAL 574          HG21      VAL 574  63.230   6.357   1.623
  266   HG22  VAL 574          HG22      VAL 574  62.116   6.319   0.256
  267   HG23  VAL 574          HG23      VAL 574  63.343   7.582   0.359
  268    H    CYS 575           HN       CYS 575  65.814   4.029   1.430
  269    HA   CYS 575           HA       CYS 575  64.662   2.604   3.686
  270    HB2  CYS 575           HB2      CYS 575  66.982   2.242   3.194
  271    HB3  CYS 575           HB1      CYS 575  67.323   3.968   3.218
  272    H    ALA 576           HN       ALA 576  63.682   3.498   5.451
  273    HA   ALA 576           HA       ALA 576  63.240   6.360   5.601
  274    HB1  ALA 576           HB1      ALA 576  62.674   4.089   7.522
  275    HB2  ALA 576           HB2      ALA 576  61.528   4.922   6.472
  276    HB3  ALA 576           HB3      ALA 576  62.225   5.761   7.857
  277    H    PHE 577           HN       PHE 577  66.027   5.776   5.582
  278    HA   PHE 577           HA       PHE 577  66.827   7.052   8.141
  279    HB2  PHE 577           HB2      PHE 577  67.176   4.450   8.095
  280    HB3  PHE 577           HB1      PHE 577  68.511   4.824   7.008
  281    HD1  PHE 577           HD1      PHE 577  70.560   5.702   7.834
  282    HD2  PHE 577           HD2      PHE 577  67.115   5.531  10.395
  283    HE1  PHE 577           HE1      PHE 577  71.975   6.305   9.779
  284    HE2  PHE 577           HE2      PHE 577  68.530   6.135  12.338
  285    HZ   PHE 577           HZ       PHE 577  70.960   6.522  12.031
  286    H    CYS 578           HN       CYS 578  68.303   5.678   5.197
  287    HA   CYS 578           HA       CYS 578  69.864   8.188   4.860
  288    HB2  CYS 578           HB2      CYS 578  70.932   6.765   2.971
  289    HB3  CYS 578           HB1      CYS 578  71.281   6.308   4.637
  290    H    LEU 579           HN       LEU 579  67.127   6.515   3.642
  291    HA   LEU 579           HA       LEU 579  65.649   6.946   1.886
  292    HB2  LEU 579           HB2      LEU 579  66.841   9.724   2.155
  293    HB3  LEU 579           HB1      LEU 579  65.339   9.330   1.319
  294    HG   LEU 579           HG       LEU 579  64.954   8.131   3.768
  295   HD11  LEU 579          HD11      LEU 579  67.089   9.283   4.523
  296   HD12  LEU 579          HD12      LEU 579  65.663   9.637   5.496
  297   HD13  LEU 579          HD13      LEU 579  66.242  10.816   4.318
  298   HD21  LEU 579          HD21      LEU 579  63.312   9.494   2.565
  299   HD22  LEU 579          HD22      LEU 579  64.246  10.953   2.897
  300   HD23  LEU 579          HD23      LEU 579  63.468  10.084   4.220
  301    H    LYS 580           HN       LYS 580  68.639   6.344   1.298
  302    HA   LYS 580           HA       LYS 580  69.221   7.668  -1.206
  303    HB2  LYS 580           HB2      LYS 580  70.946   5.920  -1.479
  304    HB3  LYS 580           HB1      LYS 580  70.987   6.594   0.149
  305    HG2  LYS 580           HG2      LYS 580  69.405   4.634   0.779
  306    HG3  LYS 580           HG1      LYS 580  69.920   3.918  -0.747
  307    HD2  LYS 580           HD2      LYS 580  72.287   4.807   0.498
  308    HD3  LYS 580           HD1      LYS 580  71.336   4.046   1.773
  309    HE2  LYS 580           HE2      LYS 580  72.702   2.341   0.709
  310    HE3  LYS 580           HE1      LYS 580  71.015   2.060   0.279
  311    HZ1  LYS 580           HZ1      LYS 580  72.301   3.843  -1.540
  312    HZ2  LYS 580           HZ2      LYS 580  71.454   2.405  -1.856
  313    HZ3  LYS 580           HZ3      LYS 580  73.106   2.352  -1.461
  314    H    GLN 581           HN       GLN 581  68.084   4.361  -0.472
  315    HA   GLN 581           HA       GLN 581  66.070   4.278  -2.459
  316    HB2  GLN 581           HB2      GLN 581  68.610   4.124  -3.629
  317    HB3  GLN 581           HB1      GLN 581  68.085   2.448  -3.522
  318    HG2  GLN 581           HG2      GLN 581  65.890   4.116  -4.391
  319    HG3  GLN 581           HG1      GLN 581  67.287   4.366  -5.436
  320   HE21  GLN 581          HE21      GLN 581  64.913   2.000  -4.358
  321   HE22  GLN 581          HE22      GLN 581  65.307   0.809  -5.500
  322    H    LEU 582           HN       LEU 582  65.180   2.027  -2.610
  323    HA   LEU 582           HA       LEU 582  66.389   0.003  -0.887
  324    HB2  LEU 582           HB2      LEU 582  65.026   1.804   0.519
  325    HB3  LEU 582           HB1      LEU 582  63.655   0.828   0.001
  326    HG   LEU 582           HG       LEU 582  64.918  -1.196   0.837
  327   HD11  LEU 582          HD11      LEU 582  66.541   0.009   2.775
  328   HD12  LEU 582          HD12      LEU 582  66.912   0.865   1.282
  329   HD13  LEU 582          HD13      LEU 582  67.086  -0.888   1.360
  330   HD21  LEU 582          HD21      LEU 582  63.223  -0.603   2.295
  331   HD22  LEU 582          HD22      LEU 582  63.855   1.026   2.526
  332   HD23  LEU 582          HD23      LEU 582  64.615  -0.339   3.344
  333    H    ASN 583           HN       ASN 583  65.098  -2.001  -0.851
  334    HA   ASN 583           HA       ASN 583  62.858  -2.238  -2.733
  335    HB2  ASN 583           HB2      ASN 583  64.743  -2.351  -4.284
  336    HB3  ASN 583           HB1      ASN 583  65.536  -3.562  -3.276
  337   HD21  ASN 583          HD21      ASN 583  65.345  -5.549  -4.324
  338   HD22  ASN 583          HD22      ASN 583  63.928  -6.131  -5.057
  339    H    LYS 584           HN       LYS 584  61.557  -3.906  -2.083
  340    HA   LYS 584           HA       LYS 584  61.839  -5.205   0.388
  341    HB2  LYS 584           HB2      LYS 584  59.687  -5.251  -0.595
  342    HB3  LYS 584           HB1      LYS 584  60.306  -5.886  -2.116
  343    HG2  LYS 584           HG2      LYS 584  59.148  -7.669  -0.935
  344    HG3  LYS 584           HG1      LYS 584  60.873  -8.023  -0.949
  345    HD2  LYS 584           HD2      LYS 584  60.077  -8.441   1.287
  346    HD3  LYS 584           HD1      LYS 584  61.017  -6.951   1.341
  347    HE2  LYS 584           HE2      LYS 584  59.161  -5.628   1.692
  348    HE3  LYS 584           HE1      LYS 584  58.097  -6.700   0.783
  349    HZ1  LYS 584           HZ1      LYS 584  57.597  -7.863   2.602
  350    HZ2  LYS 584           HZ2      LYS 584  58.231  -6.553   3.478
  351    HZ3  LYS 584           HZ3      LYS 584  59.202  -7.907   3.147
  352    H    GLY 585           HN       GLY 585  63.191  -6.030  -2.715
  353    HA2  GLY 585           HA2      GLY 585  63.783  -8.702  -2.630
  354    HA3  GLY 585           HA1      GLY 585  64.946  -7.518  -3.210
  355    H    THR 586           HN       THR 586  65.534  -6.201  -0.762
  356    HA   THR 586           HA       THR 586  66.336  -8.295   1.158
  357    HB   THR 586           HB       THR 586  68.774  -7.547   0.994
  358    HG1  THR 586           HG1      THR 586  67.994  -6.707  -1.584
  359   HG21  THR 586          HG21      THR 586  69.279  -9.149  -0.690
  360   HG22  THR 586          HG22      THR 586  67.760  -8.854  -1.535
  361   HG23  THR 586          HG23      THR 586  67.757  -9.689   0.019
  362    H    PHE 587           HN       PHE 587  64.659  -5.941   1.431
  363    HA   PHE 587           HA       PHE 587  66.376  -4.037   2.921
  364    HB2  PHE 587           HB2      PHE 587  64.687  -2.496   2.726
  365    HB3  PHE 587           HB1      PHE 587  64.225  -3.507   1.373
  366    HD1  PHE 587           HD1      PHE 587  62.886  -1.832   4.037
  367    HD2  PHE 587           HD2      PHE 587  62.876  -5.772   2.325
  368    HE1  PHE 587           HE1      PHE 587  60.719  -2.307   5.142
  369    HE2  PHE 587           HE2      PHE 587  60.710  -6.245   3.433
  370    HZ   PHE 587           HZ       PHE 587  59.631  -4.513   4.841
  371    H    LYS 588           HN       LYS 588  65.142  -3.239   4.997
  372    HA   LYS 588           HA       LYS 588  64.055  -5.505   6.571
  373    HB2  LYS 588           HB2      LYS 588  66.473  -3.819   7.269
  374    HB3  LYS 588           HB1      LYS 588  65.565  -4.703   8.489
  375    HG2  LYS 588           HG2      LYS 588  66.879  -5.942   6.050
  376    HG3  LYS 588           HG1      LYS 588  67.535  -5.979   7.684
  377    HD2  LYS 588           HD2      LYS 588  64.997  -7.287   6.692
  378    HD3  LYS 588           HD1      LYS 588  66.428  -8.076   7.342
  379    HE2  LYS 588           HE2      LYS 588  65.984  -6.808   9.513
  380    HE3  LYS 588           HE1      LYS 588  64.413  -6.386   8.835
  381    HZ1  LYS 588           HZ1      LYS 588  65.454  -9.138   9.234
  382    HZ2  LYS 588           HZ2      LYS 588  63.950  -8.744   8.548
  383    HZ3  LYS 588           HZ3      LYS 588  64.266  -8.379  10.177
  384    H    GLU 589           HN       GLU 589  63.273  -4.456   8.802
  385    HA   GLU 589           HA       GLU 589  62.577  -1.611   8.465
  386    HB2  GLU 589           HB2      GLU 589  60.268  -1.850   8.358
  387    HB3  GLU 589           HB1      GLU 589  60.799  -3.215   7.376
  388    HG2  GLU 589           HG2      GLU 589  60.740  -4.570   9.581
  389    HG3  GLU 589           HG1      GLU 589  59.791  -3.227  10.223
  390    H    GLN 590           HN       GLN 590  61.782  -0.643  10.381
  391    HA   GLN 590           HA       GLN 590  61.643  -2.182  12.870
  392    HB2  GLN 590           HB2      GLN 590  64.118  -1.736  12.458
  393    HB3  GLN 590           HB1      GLN 590  63.748  -0.020  12.581
  394    HG2  GLN 590           HG2      GLN 590  64.445  -0.673  14.760
  395    HG3  GLN 590           HG1      GLN 590  62.690  -0.545  14.848
  396   HE21  GLN 590          HE21      GLN 590  64.573  -3.212  13.376
  397   HE22  GLN 590          HE22      GLN 590  64.009  -4.409  14.440
  398    H    ASN 591           HN       ASN 591  60.634  -0.907  14.525
  399    HA   ASN 591           HA       ASN 591  59.142   0.735  15.276
  400    HB2  ASN 591           HB2      ASN 591  61.197   2.345  13.760
  401    HB3  ASN 591           HB1      ASN 591  59.847   3.118  14.585
  402   HD21  ASN 591          HD21      ASN 591  63.024   2.144  15.045
  403   HD22  ASN 591          HD22      ASN 591  63.025   2.032  16.739
  404    H    ASP 592           HN       ASP 592  58.774  -0.538  12.472
  405    HA   ASP 592           HA       ASP 592  56.962  -0.446  10.963
  406    HB2  ASP 592           HB2      ASP 592  55.925   0.961  12.971
  407    HB3  ASP 592           HB1      ASP 592  56.175   2.300  11.846
  408    H    LYS 593           HN       LYS 593  59.636   0.559  10.382
  409    HA   LYS 593           HA       LYS 593  58.909   2.216   8.052
  410    HB2  LYS 593           HB2      LYS 593  61.306   3.393   8.937
  411    HB3  LYS 593           HB1      LYS 593  59.707   4.127   8.923
  412    HG2  LYS 593           HG2      LYS 593  59.426   2.819  11.209
  413    HG3  LYS 593           HG1      LYS 593  61.184   2.859  11.199
  414    HD2  LYS 593           HD2      LYS 593  60.486   4.820  12.372
  415    HD3  LYS 593           HD1      LYS 593  61.007   5.361  10.777
  416    HE2  LYS 593           HE2      LYS 593  58.783   6.314  11.634
  417    HE3  LYS 593           HE1      LYS 593  58.764   5.617  10.015
  418    HZ1  LYS 593           HZ1      LYS 593  58.168   3.871  12.293
  419    HZ2  LYS 593           HZ2      LYS 593  57.581   3.811  10.699
  420    HZ3  LYS 593           HZ3      LYS 593  56.973   4.965  11.789
  421    HA   PRO 594           HA       PRO 594  61.793  -0.516   6.128
  422    HB2  PRO 594           HB2      PRO 594  62.593   1.102   4.054
  423    HB3  PRO 594           HB1      PRO 594  61.061   0.223   4.107
  424    HG2  PRO 594           HG2      PRO 594  61.599   3.113   4.584
  425    HG3  PRO 594           HG1      PRO 594  60.185   2.337   3.867
  426    HD2  PRO 594           HD2      PRO 594  60.265   3.319   6.459
  427    HD3  PRO 594           HD1      PRO 594  59.160   2.031   5.916
  428    H    TYR 595           HN       TYR 595  63.994  -0.883   5.775
  429    HA   TYR 595           HA       TYR 595  66.005   1.198   6.192
  430    HB2  TYR 595           HB2      TYR 595  65.563  -1.009   8.236
  431    HB3  TYR 595           HB1      TYR 595  67.047  -0.068   8.128
  432    HD1  TYR 595           HD1      TYR 595  66.666   2.573   8.042
  433    HD2  TYR 595           HD2      TYR 595  63.901  -0.266   9.687
  434    HE1  TYR 595           HE1      TYR 595  65.622   4.372   9.395
  435    HE2  TYR 595           HE2      TYR 595  62.861   1.531  11.038
  436    HH   TYR 595           HH       TYR 595  63.665   4.889  10.561
  437    H    CYS 596           HN       CYS 596  67.664   0.590   4.809
  438    HA   CYS 596           HA       CYS 596  67.653  -1.799   3.318
  439    HB2  CYS 596           HB2      CYS 596  70.320  -0.673   4.047
  440    HB3  CYS 596           HB1      CYS 596  69.698  -1.141   2.468
  441    H    GLN 597           HN       GLN 597  68.635  -3.819   3.635
  442    HA   GLN 597           HA       GLN 597  68.683  -4.903   6.215
  443    HB2  GLN 597           HB2      GLN 597  68.741  -6.596   4.662
  444    HB3  GLN 597           HB1      GLN 597  69.741  -5.660   3.554
  445    HG2  GLN 597           HG2      GLN 597  70.988  -7.600   4.400
  446    HG3  GLN 597           HG1      GLN 597  71.719  -6.104   4.971
  447   HE21  GLN 597          HE21      GLN 597  68.731  -6.841   6.552
  448   HE22  GLN 597          HE22      GLN 597  69.394  -7.473   7.980
  449    H    ASN 598           HN       ASN 598  71.250  -3.301   4.403
  450    HA   ASN 598           HA       ASN 598  73.350  -3.794   6.314
  451    HB2  ASN 598           HB2      ASN 598  74.654  -2.518   4.923
  452    HB3  ASN 598           HB1      ASN 598  73.332  -2.805   3.798
  453   HD21  ASN 598          HD21      ASN 598  74.322  -0.462   6.346
  454   HD22  ASN 598          HD22      ASN 598  73.649   0.894   5.574
  455    H    CYS 599           HN       CYS 599  70.955  -1.232   5.862
  456    HA   CYS 599           HA       CYS 599  71.897   0.459   8.005
  457    HB2  CYS 599           HB2      CYS 599  69.317   0.204   6.473
  458    HB3  CYS 599           HB1      CYS 599  69.359   1.187   7.931
  459    H    PHE 600           HN       PHE 600  69.047  -1.725   7.849
  460    HA   PHE 600           HA       PHE 600  68.368  -1.760  10.578
  461    HB2  PHE 600           HB2      PHE 600  66.999  -2.900   8.938
  462    HB3  PHE 600           HB1      PHE 600  68.322  -3.973   8.500
  463    HD1  PHE 600           HD1      PHE 600  69.137  -5.689  10.147
  464    HD2  PHE 600           HD2      PHE 600  65.597  -3.349  10.828
  465    HE1  PHE 600           HE1      PHE 600  68.394  -7.312  11.867
  466    HE2  PHE 600           HE2      PHE 600  64.857  -4.975  12.548
  467    HZ   PHE 600           HZ       PHE 600  66.254  -6.955  13.067
  468    H    LEU 601           HN       LEU 601  70.746  -3.730   8.843
  469    HA   LEU 601           HA       LEU 601  71.701  -5.270  11.041
  470    HB2  LEU 601           HB2      LEU 601  72.252  -5.800   8.720
  471    HB3  LEU 601           HB1      LEU 601  73.079  -4.261   8.533
  472    HG   LEU 601           HG       LEU 601  74.609  -5.035  10.451
  473   HD11  LEU 601          HD11      LEU 601  73.234  -6.873  11.276
  474   HD12  LEU 601          HD12      LEU 601  74.749  -7.527  10.654
  475   HD13  LEU 601          HD13      LEU 601  73.274  -7.653   9.695
  476   HD21  LEU 601          HD21      LEU 601  76.010  -6.313   8.888
  477   HD22  LEU 601          HD22      LEU 601  75.256  -4.950   8.057
  478   HD23  LEU 601          HD23      LEU 601  74.615  -6.579   7.839
  479    H    LYS 602           HN       LYS 602  72.163  -1.985  10.063
  480    HA   LYS 602           HA       LYS 602  74.442  -1.503  11.875
  481    HB2  LYS 602           HB2      LYS 602  73.643  -0.378   9.489
  482    HB3  LYS 602           HB1      LYS 602  73.071   0.804  10.657
  483    HG2  LYS 602           HG2      LYS 602  75.275   1.484  10.159
  484    HG3  LYS 602           HG1      LYS 602  75.408   0.651  11.707
  485    HD2  LYS 602           HD2      LYS 602  77.186  -0.237  10.412
  486    HD3  LYS 602           HD1      LYS 602  75.924  -1.465  10.322
  487    HE2  LYS 602           HE2      LYS 602  75.401  -0.964   8.112
  488    HE3  LYS 602           HE1      LYS 602  75.985   0.695   8.241
  489    HZ1  LYS 602           HZ1      LYS 602  77.611  -0.377   7.008
  490    HZ2  LYS 602           HZ2      LYS 602  77.545  -1.793   7.943
  491    HZ3  LYS 602           HZ3      LYS 602  78.258  -0.387   8.575
  492    H    LEU 603           HN       LEU 603  70.983  -0.738  11.617
  493    HA   LEU 603           HA       LEU 603  71.031   0.873  14.068
  494    HB2  LEU 603           HB2      LEU 603  68.502  -0.117  12.784
  495    HB3  LEU 603           HB1      LEU 603  68.806   1.408  13.600
  496    HG   LEU 603           HG       LEU 603  69.793   0.588  10.864
  497   HD11  LEU 603          HD11      LEU 603  67.966   2.822  11.784
  498   HD12  LEU 603          HD12      LEU 603  67.443   1.336  10.989
  499   HD13  LEU 603          HD13      LEU 603  68.442   2.500  10.116
  500   HD21  LEU 603          HD21      LEU 603  70.712   2.951  10.814
  501   HD22  LEU 603          HD22      LEU 603  71.576   1.850  11.886
  502   HD23  LEU 603          HD23      LEU 603  70.436   3.018  12.555
  503    H    PHE 604           HN       PHE 604  69.327  -2.102  13.074
  504    HA   PHE 604           HA       PHE 604  68.563  -2.776  15.774
  505    HB2  PHE 604           HB2      PHE 604  67.483  -3.532  13.552
  506    HB3  PHE 604           HB1      PHE 604  68.759  -4.746  13.501
  507    HD1  PHE 604           HD1      PHE 604  66.040  -3.397  15.684
  508    HD2  PHE 604           HD2      PHE 604  68.579  -6.737  14.759
  509    HE1  PHE 604           HE1      PHE 604  64.763  -4.808  17.274
  510    HE2  PHE 604           HE2      PHE 604  67.302  -8.147  16.349
  511    HZ   PHE 604           HZ       PHE 604  65.395  -7.183  17.606
  512    H    CYS 605           HN       CYS 605  71.430  -3.284  13.897
  513    HA   CYS 605           HA       CYS 605  72.581  -4.819  16.172
  514    HB2  CYS 605           HB2      CYS 605  71.740  -6.294  14.162
  515    HB3  CYS 605           HB1      CYS 605  73.204  -5.714  13.371
  516    HG   CYS 605           HG       CYS 605  74.321  -6.622  15.817
  Start of MODEL    6
    1    H    TYR 541           HT1      TYR 541  37.389   6.184 -18.192
    2    HA   TYR 541           HA       TYR 541  34.616   6.276 -17.143
    3    HB2  TYR 541           HB2      TYR 541  36.048   4.075 -18.649
    4    HB3  TYR 541           HB1      TYR 541  34.319   4.224 -18.341
    5    HD1  TYR 541           HD1      TYR 541  32.989   6.005 -19.485
    6    HD2  TYR 541           HD2      TYR 541  37.106   5.253 -20.460
    7    HE1  TYR 541           HE1      TYR 541  32.723   7.280 -21.595
    8    HE2  TYR 541           HE2      TYR 541  36.838   6.528 -22.570
    9    HH   TYR 541           HH       TYR 541  34.537   7.065 -24.112
   10    H    HIS 542           HN       HIS 542  37.644   4.386 -17.124
   11    HA   HIS 542           HA       HIS 542  37.344   3.962 -14.215
   12    HB2  HIS 542           HB2      HIS 542  36.165   2.062 -15.464
   13    HB3  HIS 542           HB1      HIS 542  37.757   1.599 -16.063
   14    HD1  HIS 542           HD1      HIS 542  39.411   2.141 -13.487
   15    HD2  HIS 542           HD2      HIS 542  35.790   0.075 -13.541
   16    HE1  HIS 542           HE1      HIS 542  39.384   0.688 -11.414
   17    H    GLU 543           HN       GLU 543  39.235   2.784 -16.999
   18    HA   GLU 543           HA       GLU 543  41.556   2.608 -17.302
   19    HB2  GLU 543           HB2      GLU 543  41.416   5.194 -15.716
   20    HB3  GLU 543           HB1      GLU 543  42.828   4.640 -16.613
   21    HG2  GLU 543           HG2      GLU 543  41.713   6.129 -18.094
   22    HG3  GLU 543           HG1      GLU 543  41.285   4.517 -18.663
   23    H    ARG 544           HN       ARG 544  40.371   1.325 -14.908
   24    HA   ARG 544           HA       ARG 544  41.090   0.199 -12.988
   25    HB2  ARG 544           HB2      ARG 544  43.760   0.818 -14.274
   26    HB3  ARG 544           HB1      ARG 544  43.584  -0.193 -12.840
   27    HG2  ARG 544           HG2      ARG 544  41.665  -1.104 -14.725
   28    HG3  ARG 544           HG1      ARG 544  43.183  -0.911 -15.596
   29    HD2  ARG 544           HD2      ARG 544  44.047  -2.094 -13.288
   30    HD3  ARG 544           HD1      ARG 544  42.458  -2.831 -13.466
   31    HE   ARG 544           HE       ARG 544  44.733  -3.616 -14.913
   32   HH11  ARG 544          HH11      ARG 544  44.695  -4.544 -16.951
   33   HH12  ARG 544          HH12      ARG 544  43.293  -4.364 -17.952
   34   HH21  ARG 544          HH21      ARG 544  41.537  -2.498 -15.632
   35   HH22  ARG 544          HH22      ARG 544  41.515  -3.207 -17.209
   36    H    ARG 545           HN       ARG 545  42.898   0.558 -11.078
   37    HA   ARG 545           HA       ARG 545  42.657   3.442 -10.311
   38    HB2  ARG 545           HB2      ARG 545  42.923   1.164  -8.356
   39    HB3  ARG 545           HB1      ARG 545  42.318   2.795  -8.068
   40    HG2  ARG 545           HG2      ARG 545  40.454   2.213  -9.740
   41    HG3  ARG 545           HG1      ARG 545  40.966   0.538  -9.545
   42    HD2  ARG 545           HD2      ARG 545  40.705   0.838  -7.056
   43    HD3  ARG 545           HD1      ARG 545  39.988   2.413  -7.374
   44    HE   ARG 545           HE       ARG 545  38.627  -0.091  -7.476
   45   HH11  ARG 545          HH11      ARG 545  36.775  -0.462  -8.678
   46   HH12  ARG 545          HH12      ARG 545  36.315   0.661  -9.914
   47   HH21  ARG 545          HH21      ARG 545  38.993   2.779  -9.370
   48   HH22  ARG 545          HH22      ARG 545  37.570   2.483 -10.308
   49    H    GLY 546           HN       GLY 546  44.532   0.654  -9.120
   50    HA2  GLY 546           HA2      GLY 546  46.931   0.407  -9.405
   51    HA3  GLY 546           HA1      GLY 546  47.032   2.134  -9.727
   52    H    SER 547           HN       SER 547  48.485   0.508  -7.724
   53    HA   SER 547           HA       SER 547  47.406   1.283  -5.110
   54    HB2  SER 547           HB2      SER 547  49.483  -0.460  -6.138
   55    HB3  SER 547           HB1      SER 547  50.103   0.534  -4.826
   56    HG   SER 547           HG       SER 547  47.704  -0.993  -4.764
   57    H    LEU 548           HN       LEU 548  47.806   3.233  -4.140
   58    HA   LEU 548           HA       LEU 548  49.471   5.208  -5.450
   59    HB2  LEU 548           HB2      LEU 548  47.860   5.119  -2.923
   60    HB3  LEU 548           HB1      LEU 548  49.048   6.400  -3.127
   61    HG   LEU 548           HG       LEU 548  48.005   7.120  -5.198
   62   HD11  LEU 548          HD11      LEU 548  45.785   5.992  -5.827
   63   HD12  LEU 548          HD12      LEU 548  46.302   4.661  -4.793
   64   HD13  LEU 548          HD13      LEU 548  47.262   5.107  -6.204
   65   HD21  LEU 548          HD21      LEU 548  45.881   6.630  -3.087
   66   HD22  LEU 548          HD22      LEU 548  45.851   7.886  -4.325
   67   HD23  LEU 548          HD23      LEU 548  47.059   7.942  -3.041
   68    H    CYS 549           HN       CYS 549  51.540   5.843  -4.935
   69    HA   CYS 549           HA       CYS 549  53.145   4.035  -3.287
   70    HB2  CYS 549           HB2      CYS 549  54.462   4.748  -5.036
   71    HB3  CYS 549           HB1      CYS 549  53.646   6.303  -5.153
   72    H    SER 550           HN       SER 550  53.029   4.299  -1.102
   73    HA   SER 550           HA       SER 550  52.014   6.552   0.228
   74    HB2  SER 550           HB2      SER 550  54.178   4.692   1.250
   75    HB3  SER 550           HB1      SER 550  53.165   5.737   2.239
   76    HG   SER 550           HG       SER 550  52.489   3.439   0.754
   77    H    GLY 551           HN       GLY 551  52.737   8.552  -0.039
   78    HA2  GLY 551           HA2      GLY 551  54.646  10.101   0.659
   79    HA3  GLY 551           HA1      GLY 551  55.680   9.033  -0.303
   80    H    CYS 552           HN       CYS 552  53.610   8.562  -2.315
   81    HA   CYS 552           HA       CYS 552  53.808  11.161  -3.781
   82    HB2  CYS 552           HB2      CYS 552  53.802   8.281  -4.601
   83    HB3  CYS 552           HB1      CYS 552  53.155   9.474  -5.725
   84    H    GLN 553           HN       GLN 553  51.611   8.708  -2.587
   85    HA   GLN 553           HA       GLN 553  49.275   8.596  -2.552
   86    HB2  GLN 553           HB2      GLN 553  49.649  11.584  -2.949
   87    HB3  GLN 553           HB1      GLN 553  48.085  10.828  -2.649
   88    HG2  GLN 553           HG2      GLN 553  48.848  11.501  -0.505
   89    HG3  GLN 553           HG1      GLN 553  49.175   9.772  -0.573
   90   HE21  GLN 553          HE21      GLN 553  51.111   9.538   0.588
   91   HE22  GLN 553          HE22      GLN 553  52.524  10.428   0.286
   92    H    LYS 554           HN       LYS 554  50.793   8.275  -5.047
   93    HA   LYS 554           HA       LYS 554  48.559   8.737  -6.965
   94    HB2  LYS 554           HB2      LYS 554  51.519   9.229  -7.429
   95    HB3  LYS 554           HB1      LYS 554  50.337   9.123  -8.733
   96    HG2  LYS 554           HG2      LYS 554  50.142  11.080  -6.425
   97    HG3  LYS 554           HG1      LYS 554  50.819  11.479  -8.003
   98    HD2  LYS 554           HD2      LYS 554  48.548  10.535  -8.918
   99    HD3  LYS 554           HD1      LYS 554  47.977  10.826  -7.275
  100    HE2  LYS 554           HE2      LYS 554  47.503  12.815  -8.548
  101    HE3  LYS 554           HE1      LYS 554  48.861  13.189  -7.486
  102    HZ1  LYS 554           HZ1      LYS 554  49.439  12.130 -10.154
  103    HZ2  LYS 554           HZ2      LYS 554  50.325  13.230  -9.209
  104    HZ3  LYS 554           HZ3      LYS 554  48.931  13.743 -10.034
  105    HA   PRO 555           HA       PRO 555  48.771   4.378  -7.579
  106    HB2  PRO 555           HB2      PRO 555  48.750   4.898 -10.479
  107    HB3  PRO 555           HB1      PRO 555  47.611   3.987  -9.481
  108    HG2  PRO 555           HG2      PRO 555  47.163   6.530 -10.523
  109    HG3  PRO 555           HG1      PRO 555  46.258   5.800  -9.195
  110    HD2  PRO 555           HD2      PRO 555  48.120   8.040  -9.099
  111    HD3  PRO 555           HD1      PRO 555  47.095   7.394  -7.792
  112    H    ILE 556           HN       ILE 556  50.185   2.747  -8.267
  113    HA   ILE 556           HA       ILE 556  52.883   3.710  -9.089
  114    HB   ILE 556           HB       ILE 556  51.943   1.274  -7.553
  115   HG12  ILE 556          HG12      ILE 556  53.925   3.357  -6.644
  116   HG13  ILE 556          HG11      ILE 556  52.197   3.679  -6.531
  117   HG21  ILE 556          HG21      ILE 556  53.781   0.509  -8.883
  118   HG22  ILE 556          HG22      ILE 556  54.462   0.881  -7.300
  119   HG23  ILE 556          HG23      ILE 556  54.675   2.009  -8.638
  120   HD11  ILE 556          HD11      ILE 556  52.376   1.134  -5.487
  121   HD12  ILE 556          HD12      ILE 556  52.321   2.615  -4.532
  122   HD13  ILE 556          HD13      ILE 556  53.873   1.875  -4.922
  123    H    THR 557           HN       THR 557  52.684   3.619 -11.339
  124    HA   THR 557           HA       THR 557  51.511   1.291 -12.661
  125    HB   THR 557           HB       THR 557  52.327   2.452 -14.746
  126    HG1  THR 557           HG1      THR 557  54.106   3.475 -13.618
  127   HG21  THR 557          HG21      THR 557  50.912   4.595 -14.230
  128   HG22  THR 557          HG22      THR 557  50.603   3.804 -12.683
  129   HG23  THR 557          HG23      THR 557  50.126   3.018 -14.188
  130    H    GLY 558           HN       GLY 558  52.626  -0.576 -12.643
  131    HA2  GLY 558           HA2      GLY 558  54.524  -1.759 -13.782
  132    HA3  GLY 558           HA1      GLY 558  55.577  -0.498 -13.130
  133    H    ARG 559           HN       ARG 559  56.838  -1.911 -11.828
  134    HA   ARG 559           HA       ARG 559  55.691  -3.854 -10.040
  135    HB2  ARG 559           HB2      ARG 559  58.366  -2.483 -10.249
  136    HB3  ARG 559           HB1      ARG 559  57.995  -3.474  -8.840
  137    HG2  ARG 559           HG2      ARG 559  57.300  -4.723 -11.422
  138    HG3  ARG 559           HG1      ARG 559  59.027  -4.451 -11.186
  139    HD2  ARG 559           HD2      ARG 559  59.030  -5.711  -9.140
  140    HD3  ARG 559           HD1      ARG 559  57.267  -5.784  -9.112
  141    HE   ARG 559           HE       ARG 559  57.949  -6.999 -11.512
  142   HH11  ARG 559          HH11      ARG 559  58.320  -9.213 -11.698
  143   HH12  ARG 559          HH12      ARG 559  58.814 -10.118 -10.307
  144   HH21  ARG 559          HH21      ARG 559  58.795  -7.382  -8.185
  145   HH22  ARG 559          HH22      ARG 559  59.083  -9.084  -8.322
  146    H    CYS 560           HN       CYS 560  55.831  -3.604  -7.591
  147    HA   CYS 560           HA       CYS 560  55.694  -0.847  -6.588
  148    HB2  CYS 560           HB2      CYS 560  53.412  -0.961  -5.803
  149    HB3  CYS 560           HB1      CYS 560  53.405  -1.316  -7.530
  150    HG   CYS 560           HG       CYS 560  53.632  -3.922  -6.112
  151    H    ILE 561           HN       ILE 561  56.235  -0.761  -4.466
  152    HA   ILE 561           HA       ILE 561  56.881  -3.327  -3.136
  153    HB   ILE 561           HB       ILE 561  57.412  -0.612  -1.954
  154   HG12  ILE 561          HG12      ILE 561  58.134  -0.456  -4.309
  155   HG13  ILE 561          HG11      ILE 561  59.528  -0.517  -3.239
  156   HG21  ILE 561          HG21      ILE 561  58.525  -3.387  -1.771
  157   HG22  ILE 561          HG22      ILE 561  58.128  -2.251  -0.481
  158   HG23  ILE 561          HG23      ILE 561  59.591  -2.024  -1.440
  159   HD11  ILE 561          HD11      ILE 561  58.545  -2.541  -5.188
  160   HD12  ILE 561          HD12      ILE 561  59.240  -3.155  -3.689
  161   HD13  ILE 561          HD13      ILE 561  60.198  -2.118  -4.745
  162    H    THR 562           HN       THR 562  56.052  -3.857  -1.065
  163    HA   THR 562           HA       THR 562  53.732  -2.213  -0.136
  164    HB   THR 562           HB       THR 562  53.907  -5.243  -0.201
  165    HG1  THR 562           HG1      THR 562  53.485  -4.152  -2.216
  166   HG21  THR 562          HG21      THR 562  51.420  -4.923   0.444
  167   HG22  THR 562          HG22      THR 562  51.898  -3.294   0.921
  168   HG23  THR 562          HG23      THR 562  52.630  -4.693   1.706
  169    H    ALA 563           HN       ALA 563  54.556  -1.323   1.699
  170    HA   ALA 563           HA       ALA 563  56.342  -2.913   3.437
  171    HB1  ALA 563           HB1      ALA 563  56.733  -0.845   4.616
  172    HB2  ALA 563           HB2      ALA 563  55.341  -0.084   3.846
  173    HB3  ALA 563           HB3      ALA 563  56.769  -0.481   2.891
  174    H    MET 564           HN       MET 564  54.952  -0.983   5.585
  175    HA   MET 564           HA       MET 564  53.377  -3.093   6.798
  176    HB2  MET 564           HB2      MET 564  53.596  -0.141   7.451
  177    HB3  MET 564           HB1      MET 564  52.818  -1.342   8.478
  178    HG2  MET 564           HG2      MET 564  54.949  -2.570   8.673
  179    HG3  MET 564           HG1      MET 564  55.733  -1.381   7.633
  180    HE1  MET 564           HE1      MET 564  55.200  -2.519  11.059
  181    HE2  MET 564           HE2      MET 564  53.588  -1.840  10.847
  182    HE3  MET 564           HE3      MET 564  54.682  -1.136  12.034
  183    H    ALA 565           HN       ALA 565  52.210  -3.065   4.520
  184    HA   ALA 565           HA       ALA 565  50.059  -2.949   3.562
  185    HB1  ALA 565           HB1      ALA 565  48.246  -2.269   4.825
  186    HB2  ALA 565           HB2      ALA 565  49.105  -0.890   5.509
  187    HB3  ALA 565           HB3      ALA 565  49.409  -2.513   6.127
  188    H    LYS 566           HN       LYS 566  52.200  -0.436   4.218
  189    HA   LYS 566           HA       LYS 566  50.835   1.566   2.524
  190    HB2  LYS 566           HB2      LYS 566  53.133   1.520   4.389
  191    HB3  LYS 566           HB1      LYS 566  53.338   2.566   2.985
  192    HG2  LYS 566           HG2      LYS 566  51.175   3.659   3.492
  193    HG3  LYS 566           HG1      LYS 566  50.997   2.631   4.914
  194    HD2  LYS 566           HD2      LYS 566  53.397   4.426   4.484
  195    HD3  LYS 566           HD1      LYS 566  51.956   4.951   5.354
  196    HE2  LYS 566           HE2      LYS 566  53.029   4.096   7.175
  197    HE3  LYS 566           HE1      LYS 566  52.437   2.550   6.566
  198    HZ1  LYS 566           HZ1      LYS 566  54.565   2.551   5.182
  199    HZ2  LYS 566           HZ2      LYS 566  54.704   2.220   6.843
  200    HZ3  LYS 566           HZ3      LYS 566  55.113   3.756   6.242
  201    H    LYS 567           HN       LYS 567  51.347   1.873   0.380
  202    HA   LYS 567           HA       LYS 567  53.309   0.005  -0.808
  203    HB2  LYS 567           HB2      LYS 567  51.071   1.696  -1.893
  204    HB3  LYS 567           HB1      LYS 567  52.313   1.067  -2.975
  205    HG2  LYS 567           HG2      LYS 567  50.330  -0.448  -2.781
  206    HG3  LYS 567           HG1      LYS 567  51.839  -1.212  -2.279
  207    HD2  LYS 567           HD2      LYS 567  51.298  -1.067   0.012
  208    HD3  LYS 567           HD1      LYS 567  50.080   0.181  -0.264
  209    HE2  LYS 567           HE2      LYS 567  48.500  -1.336  -1.058
  210    HE3  LYS 567           HE1      LYS 567  49.723  -2.518  -1.524
  211    HZ1  LYS 567           HZ1      LYS 567  49.945  -3.272   0.606
  212    HZ2  LYS 567           HZ2      LYS 567  48.299  -2.850   0.619
  213    HZ3  LYS 567           HZ3      LYS 567  49.452  -1.809   1.309
  214    H    PHE 568           HN       PHE 568  54.648   0.966  -2.653
  215    HA   PHE 568           HA       PHE 568  55.399   3.804  -2.370
  216    HB2  PHE 568           HB2      PHE 568  57.228   1.535  -1.525
  217    HB3  PHE 568           HB1      PHE 568  57.829   3.133  -1.946
  218    HD1  PHE 568           HD1      PHE 568  56.012   1.131   0.533
  219    HD2  PHE 568           HD2      PHE 568  57.312   5.087  -0.524
  220    HE1  PHE 568           HE1      PHE 568  55.565   1.896   2.848
  221    HE2  PHE 568           HE2      PHE 568  56.860   5.852   1.791
  222    HZ   PHE 568           HZ       PHE 568  55.988   4.257   3.477
  223    H    HIS 569           HN       HIS 569  56.346   4.509  -4.309
  224    HA   HIS 569           HA       HIS 569  56.286   2.816  -6.613
  225    HB2  HIS 569           HB2      HIS 569  57.672   5.427  -5.992
  226    HB3  HIS 569           HB1      HIS 569  58.003   4.591  -7.505
  227    HD2  HIS 569           HD2      HIS 569  55.360   3.992  -8.928
  228    HE1  HIS 569           HE1      HIS 569  53.707   7.579  -7.431
  229    HE2  HIS 569           HE2      HIS 569  53.433   5.729  -9.158
  230    HA   PRO 570           HA       PRO 570  59.764   0.179  -5.727
  231    HB2  PRO 570           HB2      PRO 570  60.367   0.376  -8.619
  232    HB3  PRO 570           HB1      PRO 570  60.018  -1.049  -7.633
  233    HG2  PRO 570           HG2      PRO 570  58.237   0.036  -9.424
  234    HG3  PRO 570           HG1      PRO 570  57.773  -0.931  -8.023
  235    HD2  PRO 570           HD2      PRO 570  57.421   1.960  -8.474
  236    HD3  PRO 570           HD1      PRO 570  56.628   0.900  -7.281
  237    H    GLU 571           HN       GLU 571  59.989   3.316  -6.988
  238    HA   GLU 571           HA       GLU 571  62.962   3.342  -6.692
  239    HB2  GLU 571           HB2      GLU 571  62.999   5.221  -8.201
  240    HB3  GLU 571           HB1      GLU 571  62.018   3.960  -8.949
  241    HG2  GLU 571           HG2      GLU 571  60.079   5.229  -7.589
  242    HG3  GLU 571           HG1      GLU 571  61.185   6.579  -7.810
  243    H    HIS 572           HN       HIS 572  60.005   4.388  -5.315
  244    HA   HIS 572           HA       HIS 572  61.337   6.657  -3.907
  245    HB2  HIS 572           HB2      HIS 572  58.410   5.865  -4.084
  246    HB3  HIS 572           HB1      HIS 572  59.020   7.216  -3.128
  247    HD2  HIS 572           HD2      HIS 572  61.297   7.840  -5.742
  248    HE1  HIS 572           HE1      HIS 572  57.748   9.144  -7.606
  249    HE2  HIS 572           HE2      HIS 572  60.285   9.210  -7.702
  250    H    PHE 573           HN       PHE 573  60.496   3.393  -3.499
  251    HA   PHE 573           HA       PHE 573  60.128   3.486  -0.601
  252    HB2  PHE 573           HB2      PHE 573  59.199   1.647  -2.050
  253    HB3  PHE 573           HB1      PHE 573  60.850   1.127  -2.366
  254    HD1  PHE 573           HD1      PHE 573  61.506  -0.716  -1.109
  255    HD2  PHE 573           HD2      PHE 573  58.899   2.193   0.672
  256    HE1  PHE 573           HE1      PHE 573  61.512  -2.007   1.007
  257    HE2  PHE 573           HE2      PHE 573  58.902   0.902   2.787
  258    HZ   PHE 573           HZ       PHE 573  60.208  -1.198   2.955
  259    H    VAL 574           HN       VAL 574  62.014   4.670   0.017
  260    HA   VAL 574           HA       VAL 574  64.605   3.269  -0.450
  261    HB   VAL 574           HB       VAL 574  65.666   5.406   0.173
  262   HG11  VAL 574          HG11      VAL 574  64.453   4.824  -2.181
  263   HG12  VAL 574          HG12      VAL 574  65.358   6.312  -1.909
  264   HG13  VAL 574          HG13      VAL 574  63.601   6.310  -1.764
  265   HG21  VAL 574          HG21      VAL 574  62.791   6.326   0.506
  266   HG22  VAL 574          HG22      VAL 574  64.180   7.412   0.460
  267   HG23  VAL 574          HG23      VAL 574  64.021   6.239   1.768
  268    H    CYS 575           HN       CYS 575  66.178   3.566   1.449
  269    HA   CYS 575           HA       CYS 575  64.975   2.363   3.813
  270    HB2  CYS 575           HB2      CYS 575  67.154   1.603   3.172
  271    HB3  CYS 575           HB1      CYS 575  67.780   3.246   3.106
  272    H    ALA 576           HN       ALA 576  64.336   3.419   5.645
  273    HA   ALA 576           HA       ALA 576  64.382   6.321   5.749
  274    HB1  ALA 576           HB1      ALA 576  63.436   5.964   8.058
  275    HB2  ALA 576           HB2      ALA 576  63.640   4.229   7.816
  276    HB3  ALA 576           HB3      ALA 576  62.538   5.140   6.784
  277    H    PHE 577           HN       PHE 577  67.012   5.354   5.493
  278    HA   PHE 577           HA       PHE 577  68.239   6.467   7.950
  279    HB2  PHE 577           HB2      PHE 577  68.141   3.846   7.958
  280    HB3  PHE 577           HB1      PHE 577  69.407   3.965   6.739
  281    HD1  PHE 577           HD1      PHE 577  71.624   4.055   7.452
  282    HD2  PHE 577           HD2      PHE 577  68.517   5.389  10.104
  283    HE1  PHE 577           HE1      PHE 577  73.306   4.432   9.235
  284    HE2  PHE 577           HE2      PHE 577  70.200   5.766  11.885
  285    HZ   PHE 577           HZ       PHE 577  72.594   5.287  11.450
  286    H    CYS 578           HN       CYS 578  69.179   4.833   4.923
  287    HA   CYS 578           HA       CYS 578  71.110   7.034   4.386
  288    HB2  CYS 578           HB2      CYS 578  71.769   5.417   2.470
  289    HB3  CYS 578           HB1      CYS 578  72.168   4.934   4.117
  290    H    LEU 579           HN       LEU 579  68.045   5.806   3.443
  291    HA   LEU 579           HA       LEU 579  66.517   6.437   1.794
  292    HB2  LEU 579           HB2      LEU 579  68.149   8.995   1.882
  293    HB3  LEU 579           HB1      LEU 579  66.537   8.830   1.189
  294    HG   LEU 579           HG       LEU 579  66.179   7.752   3.694
  295   HD11  LEU 579          HD11      LEU 579  68.511   8.514   4.273
  296   HD12  LEU 579          HD12      LEU 579  67.255   9.193   5.307
  297   HD13  LEU 579          HD13      LEU 579  67.969  10.174   4.027
  298   HD21  LEU 579          HD21      LEU 579  65.076   9.927   4.214
  299   HD22  LEU 579          HD22      LEU 579  64.684   9.351   2.594
  300   HD23  LEU 579          HD23      LEU 579  65.869  10.640   2.809
  301    H    LYS 580           HN       LYS 580  69.291   5.331   0.989
  302    HA   LYS 580           HA       LYS 580  69.870   6.514  -1.595
  303    HB2  LYS 580           HB2      LYS 580  71.297   4.528  -1.936
  304    HB3  LYS 580           HB1      LYS 580  71.565   5.223  -0.339
  305    HG2  LYS 580           HG2      LYS 580  69.760   3.528   0.462
  306    HG3  LYS 580           HG1      LYS 580  70.068   2.708  -1.068
  307    HD2  LYS 580           HD2      LYS 580  72.611   3.295   0.010
  308    HD3  LYS 580           HD1      LYS 580  71.645   2.684   1.353
  309    HE2  LYS 580           HE2      LYS 580  72.703   0.797   0.254
  310    HE3  LYS 580           HE1      LYS 580  70.973   0.742  -0.085
  311    HZ1  LYS 580           HZ1      LYS 580  71.329   1.039  -2.248
  312    HZ2  LYS 580           HZ2      LYS 580  72.963   0.691  -1.938
  313    HZ3  LYS 580           HZ3      LYS 580  72.430   2.304  -1.993
  314    H    GLN 581           HN       GLN 581  68.315   3.444  -0.642
  315    HA   GLN 581           HA       GLN 581  66.170   3.607  -2.489
  316    HB2  GLN 581           HB2      GLN 581  68.571   2.992  -3.799
  317    HB3  GLN 581           HB1      GLN 581  67.792   1.430  -3.572
  318    HG2  GLN 581           HG2      GLN 581  65.826   3.373  -4.392
  319    HG3  GLN 581           HG1      GLN 581  67.178   3.392  -5.523
  320   HE21  GLN 581          HE21      GLN 581  64.568   1.414  -4.222
  321   HE22  GLN 581          HE22      GLN 581  64.720   0.150  -5.344
  322    H    LEU 582           HN       LEU 582  64.955   1.481  -2.488
  323    HA   LEU 582           HA       LEU 582  65.955  -0.597  -0.699
  324    HB2  LEU 582           HB2      LEU 582  64.978   1.454   0.670
  325    HB3  LEU 582           HB1      LEU 582  63.438   0.696   0.279
  326    HG   LEU 582           HG       LEU 582  64.408  -1.468   1.156
  327   HD11  LEU 582          HD11      LEU 582  66.717   0.283   1.422
  328   HD12  LEU 582          HD12      LEU 582  66.631  -1.474   1.527
  329   HD13  LEU 582          HD13      LEU 582  66.304  -0.487   2.950
  330   HD21  LEU 582          HD21      LEU 582  63.797   0.968   2.769
  331   HD22  LEU 582          HD22      LEU 582  64.388  -0.456   3.626
  332   HD23  LEU 582          HD23      LEU 582  62.914  -0.554   2.663
  333    H    ASN 583           HN       ASN 583  64.392  -2.375  -0.449
  334    HA   ASN 583           HA       ASN 583  62.028  -2.391  -2.192
  335    HB2  ASN 583           HB2      ASN 583  63.754  -2.917  -3.827
  336    HB3  ASN 583           HB1      ASN 583  64.449  -4.133  -2.756
  337   HD21  ASN 583          HD21      ASN 583  63.967  -6.119  -3.738
  338   HD22  ASN 583          HD22      ASN 583  62.422  -6.579  -4.269
  339    H    LYS 584           HN       LYS 584  60.519  -3.656  -1.217
  340    HA   LYS 584           HA       LYS 584  60.832  -4.868   1.291
  341    HB2  LYS 584           HB2      LYS 584  58.610  -4.516   0.595
  342    HB3  LYS 584           HB1      LYS 584  58.881  -5.284  -0.966
  343    HG2  LYS 584           HG2      LYS 584  57.543  -6.767   0.427
  344    HG3  LYS 584           HG1      LYS 584  59.136  -7.481   0.197
  345    HD2  LYS 584           HD2      LYS 584  58.749  -7.735   2.510
  346    HD3  LYS 584           HD1      LYS 584  59.758  -6.293   2.421
  347    HE2  LYS 584           HE2      LYS 584  57.898  -5.848   3.926
  348    HE3  LYS 584           HE1      LYS 584  57.673  -4.898   2.459
  349    HZ1  LYS 584           HZ1      LYS 584  55.700  -5.857   2.267
  350    HZ2  LYS 584           HZ2      LYS 584  56.018  -6.926   3.550
  351    HZ3  LYS 584           HZ3      LYS 584  56.482  -7.333   1.968
  352    H    GLY 585           HN       GLY 585  61.621  -6.114  -1.867
  353    HA2  GLY 585           HA2      GLY 585  61.667  -8.878  -1.462
  354    HA3  GLY 585           HA1      GLY 585  62.809  -8.029  -2.495
  355    H    THR 586           HN       THR 586  64.034  -6.480  -0.323
  356    HA   THR 586           HA       THR 586  65.134  -8.566   1.475
  357    HB   THR 586           HB       THR 586  67.471  -8.024   0.824
  358    HG1  THR 586           HG1      THR 586  66.243  -6.655  -1.332
  359   HG21  THR 586          HG21      THR 586  67.494  -9.297  -1.235
  360   HG22  THR 586          HG22      THR 586  65.810  -8.885  -1.561
  361   HG23  THR 586          HG23      THR 586  66.213  -9.942  -0.208
  362    H    PHE 587           HN       PHE 587  63.574  -6.136   1.991
  363    HA   PHE 587           HA       PHE 587  65.628  -4.374   3.237
  364    HB2  PHE 587           HB2      PHE 587  64.154  -2.640   3.076
  365    HB3  PHE 587           HB1      PHE 587  63.400  -3.639   1.851
  366    HD1  PHE 587           HD1      PHE 587  61.928  -5.673   3.172
  367    HD2  PHE 587           HD2      PHE 587  62.579  -1.626   4.457
  368    HE1  PHE 587           HE1      PHE 587  59.868  -5.775   4.547
  369    HE2  PHE 587           HE2      PHE 587  60.516  -1.729   5.826
  370    HZ   PHE 587           HZ       PHE 587  59.161  -3.804   5.872
  371    H    LYS 588           HN       LYS 588  64.690  -3.418   5.380
  372    HA   LYS 588           HA       LYS 588  63.438  -5.493   7.086
  373    HB2  LYS 588           HB2      LYS 588  66.128  -4.172   7.536
  374    HB3  LYS 588           HB1      LYS 588  65.209  -4.886   8.855
  375    HG2  LYS 588           HG2      LYS 588  66.097  -6.359   6.355
  376    HG3  LYS 588           HG1      LYS 588  66.892  -6.458   7.923
  377    HD2  LYS 588           HD2      LYS 588  64.103  -7.387   7.216
  378    HD3  LYS 588           HD1      LYS 588  65.458  -8.372   7.751
  379    HE2  LYS 588           HE2      LYS 588  65.427  -7.013   9.912
  380    HE3  LYS 588           HE1      LYS 588  63.876  -6.371   9.375
  381    HZ1  LYS 588           HZ1      LYS 588  63.100  -8.692   9.157
  382    HZ2  LYS 588           HZ2      LYS 588  63.485  -8.260  10.755
  383    HZ3  LYS 588           HZ3      LYS 588  64.556  -9.219   9.849
  384    H    GLU 589           HN       GLU 589  62.900  -4.350   9.302
  385    HA   GLU 589           HA       GLU 589  62.597  -1.427   8.934
  386    HB2  GLU 589           HB2      GLU 589  60.287  -1.375   9.080
  387    HB3  GLU 589           HB1      GLU 589  60.515  -2.866   8.167
  388    HG2  GLU 589           HG2      GLU 589  60.567  -4.027  10.489
  389    HG3  GLU 589           HG1      GLU 589  59.852  -2.532  11.090
  390    H    GLN 590           HN       GLN 590  62.305  -0.281  10.860
  391    HA   GLN 590           HA       GLN 590  62.261  -1.701  13.434
  392    HB2  GLN 590           HB2      GLN 590  64.698  -1.576  12.646
  393    HB3  GLN 590           HB1      GLN 590  64.553   0.172  12.796
  394    HG2  GLN 590           HG2      GLN 590  65.460  -0.561  14.869
  395    HG3  GLN 590           HG1      GLN 590  63.759  -0.234  15.194
  396   HE21  GLN 590          HE21      GLN 590  65.093  -3.097  13.505
  397   HE22  GLN 590          HE22      GLN 590  64.552  -4.223  14.654
  398    H    ASN 591           HN       ASN 591  61.605  -0.260  15.118
  399    HA   ASN 591           HA       ASN 591  60.446   1.594  15.958
  400    HB2  ASN 591           HB2      ASN 591  62.468   2.887  14.122
  401    HB3  ASN 591           HB1      ASN 591  61.365   3.832  15.116
  402   HD21  ASN 591          HD21      ASN 591  64.430   2.488  15.131
  403   HD22  ASN 591          HD22      ASN 591  64.668   2.377  16.808
  404    H    ASP 592           HN       ASP 592  59.603   0.289  13.280
  405    HA   ASP 592           HA       ASP 592  57.639   0.543  12.001
  406    HB2  ASP 592           HB2      ASP 592  57.103   2.237  14.029
  407    HB3  ASP 592           HB1      ASP 592  57.252   3.405  12.713
  408    H    LYS 593           HN       LYS 593  60.403   1.306  11.132
  409    HA   LYS 593           HA       LYS 593  59.533   2.833   8.745
  410    HB2  LYS 593           HB2      LYS 593  62.135   3.787   9.237
  411    HB3  LYS 593           HB1      LYS 593  60.632   4.696   9.342
  412    HG2  LYS 593           HG2      LYS 593  60.432   3.780  11.736
  413    HG3  LYS 593           HG1      LYS 593  62.121   3.302  11.565
  414    HD2  LYS 593           HD2      LYS 593  62.721   5.637  11.013
  415    HD3  LYS 593           HD1      LYS 593  61.035   6.111  11.220
  416    HE2  LYS 593           HE2      LYS 593  61.126   5.307  13.574
  417    HE3  LYS 593           HE1      LYS 593  62.836   4.931  13.356
  418    HZ1  LYS 593           HZ1      LYS 593  62.884   7.038  14.257
  419    HZ2  LYS 593           HZ2      LYS 593  61.507   7.560  13.409
  420    HZ3  LYS 593           HZ3      LYS 593  62.987   7.370  12.597
  421    HA   PRO 594           HA       PRO 594  61.893  -0.228   6.639
  422    HB2  PRO 594           HB2      PRO 594  62.756   1.231   4.478
  423    HB3  PRO 594           HB1      PRO 594  61.116   0.604   4.670
  424    HG2  PRO 594           HG2      PRO 594  62.135   3.377   5.046
  425    HG3  PRO 594           HG1      PRO 594  60.565   2.828   4.456
  426    HD2  PRO 594           HD2      PRO 594  61.011   3.800   7.019
  427    HD3  PRO 594           HD1      PRO 594  59.671   2.710   6.584
  428    H    TYR 595           HN       TYR 595  63.975  -0.922   6.114
  429    HA   TYR 595           HA       TYR 595  66.312   0.819   6.323
  430    HB2  TYR 595           HB2      TYR 595  65.679  -1.241   8.465
  431    HB3  TYR 595           HB1      TYR 595  67.295  -0.594   8.202
  432    HD1  TYR 595           HD1      TYR 595  67.556   1.987   8.240
  433    HD2  TYR 595           HD2      TYR 595  64.157  -0.093   9.835
  434    HE1  TYR 595           HE1      TYR 595  66.980   3.974   9.610
  435    HE2  TYR 595           HE2      TYR 595  63.586   1.892  11.201
  436    HH   TYR 595           HH       TYR 595  64.974   4.941  10.687
  437    H    CYS 596           HN       CYS 596  67.723  -0.066   4.813
  438    HA   CYS 596           HA       CYS 596  67.206  -2.455   3.412
  439    HB2  CYS 596           HB2      CYS 596  70.069  -1.722   3.870
  440    HB3  CYS 596           HB1      CYS 596  69.256  -2.170   2.374
  441    H    GLN 597           HN       GLN 597  67.907  -4.592   3.693
  442    HA   GLN 597           HA       GLN 597  68.034  -5.629   6.297
  443    HB2  GLN 597           HB2      GLN 597  67.666  -7.331   4.795
  444    HB3  GLN 597           HB1      GLN 597  68.686  -6.583   3.569
  445    HG2  GLN 597           HG2      GLN 597  69.682  -8.691   4.355
  446    HG3  GLN 597           HG1      GLN 597  70.700  -7.322   4.792
  447   HE21  GLN 597          HE21      GLN 597  67.819  -7.522   6.695
  448   HE22  GLN 597          HE22      GLN 597  68.518  -8.226   8.071
  449    H    ASN 598           HN       ASN 598  70.609  -4.471   4.187
  450    HA   ASN 598           HA       ASN 598  72.803  -5.265   5.879
  451    HB2  ASN 598           HB2      ASN 598  73.119  -4.645   3.500
  452    HB3  ASN 598           HB1      ASN 598  72.622  -2.994   3.868
  453   HD21  ASN 598          HD21      ASN 598  75.108  -5.435   4.778
  454   HD22  ASN 598          HD22      ASN 598  76.308  -4.293   5.147
  455    H    CYS 599           HN       CYS 599  70.761  -2.379   5.630
  456    HA   CYS 599           HA       CYS 599  72.188  -0.821   7.601
  457    HB2  CYS 599           HB2      CYS 599  69.420  -0.707   6.405
  458    HB3  CYS 599           HB1      CYS 599  69.823   0.305   7.787
  459    H    PHE 600           HN       PHE 600  69.051  -2.561   7.816
  460    HA   PHE 600           HA       PHE 600  68.686  -2.474  10.603
  461    HB2  PHE 600           HB2      PHE 600  66.978  -3.425   9.188
  462    HB3  PHE 600           HB1      PHE 600  68.080  -4.653   8.579
  463    HD1  PHE 600           HD1      PHE 600  65.826  -3.699  11.283
  464    HD2  PHE 600           HD2      PHE 600  68.850  -6.504  10.075
  465    HE1  PHE 600           HE1      PHE 600  65.122  -5.242  13.092
  466    HE2  PHE 600           HE2      PHE 600  68.147  -8.041  11.889
  467    HZ   PHE 600           HZ       PHE 600  66.283  -7.410  13.396
  468    H    LEU 601           HN       LEU 601  70.546  -4.781   8.664
  469    HA   LEU 601           HA       LEU 601  71.517  -6.421  10.782
  470    HB2  LEU 601           HB2      LEU 601  71.716  -7.058   8.435
  471    HB3  LEU 601           HB1      LEU 601  72.719  -5.654   8.104
  472    HG   LEU 601           HG       LEU 601  74.344  -6.606   9.857
  473   HD11  LEU 601          HD11      LEU 601  72.585  -9.024   9.341
  474   HD12  LEU 601          HD12      LEU 601  72.831  -8.218  10.890
  475   HD13  LEU 601          HD13      LEU 601  74.162  -9.087  10.128
  476   HD21  LEU 601          HD21      LEU 601  73.820  -8.159   7.303
  477   HD22  LEU 601          HD22      LEU 601  75.349  -8.113   8.183
  478   HD23  LEU 601          HD23      LEU 601  74.729  -6.651   7.413
  479    H    LYS 602           HN       LYS 602  72.337  -3.250   9.665
  480    HA   LYS 602           HA       LYS 602  74.854  -3.088  11.194
  481    HB2  LYS 602           HB2      LYS 602  73.942  -1.871   8.893
  482    HB3  LYS 602           HB1      LYS 602  73.695  -0.612  10.095
  483    HG2  LYS 602           HG2      LYS 602  75.899  -0.270   9.316
  484    HG3  LYS 602           HG1      LYS 602  76.093  -1.097  10.861
  485    HD2  LYS 602           HD2      LYS 602  77.558  -2.238   9.370
  486    HD3  LYS 602           HD1      LYS 602  76.143  -3.281   9.504
  487    HE2  LYS 602           HE2      LYS 602  75.356  -2.709   7.374
  488    HE3  LYS 602           HE1      LYS 602  76.270  -1.201   7.333
  489    HZ1  LYS 602           HZ1      LYS 602  78.318  -2.572   7.284
  490    HZ2  LYS 602           HZ2      LYS 602  77.336  -2.763   5.910
  491    HZ3  LYS 602           HZ3      LYS 602  77.351  -3.956   7.120
  492    H    LEU 603           HN       LEU 603  71.538  -1.815  11.311
  493    HA   LEU 603           HA       LEU 603  72.095  -0.223  13.709
  494    HB2  LEU 603           HB2      LEU 603  69.318  -0.860  12.755
  495    HB3  LEU 603           HB1      LEU 603  69.926   0.616  13.489
  496    HG   LEU 603           HG       LEU 603  70.457  -0.361  10.678
  497   HD11  LEU 603          HD11      LEU 603  69.315   1.745  10.061
  498   HD12  LEU 603          HD12      LEU 603  69.041   2.083  11.770
  499   HD13  LEU 603          HD13      LEU 603  68.267   0.691  11.011
  500   HD21  LEU 603          HD21      LEU 603  71.654   1.922  12.259
  501   HD22  LEU 603          HD22      LEU 603  71.631   1.914  10.495
  502   HD23  LEU 603          HD23      LEU 603  72.503   0.656  11.371
  503    H    PHE 604           HN       PHE 604  69.937  -2.968  12.969
  504    HA   PHE 604           HA       PHE 604  69.394  -3.507  15.757
  505    HB2  PHE 604           HB2      PHE 604  68.027  -4.129  13.601
  506    HB3  PHE 604           HB1      PHE 604  69.047  -5.566  13.600
  507    HD1  PHE 604           HD1      PHE 604  68.599  -7.371  15.064
  508    HD2  PHE 604           HD2      PHE 604  66.748  -3.555  15.751
  509    HE1  PHE 604           HE1      PHE 604  67.180  -8.377  16.831
  510    HE2  PHE 604           HE2      PHE 604  65.329  -4.562  17.518
  511    HZ   PHE 604           HZ       PHE 604  65.545  -6.973  18.058
  512    H    CYS 605           HN       CYS 605  71.952  -4.382  13.599
  513    HA   CYS 605           HA       CYS 605  73.127  -6.059  15.753
  514    HB2  CYS 605           HB2      CYS 605  71.856  -7.423  13.893
  515    HB3  CYS 605           HB1      CYS 605  73.287  -7.069  12.926
  516    HG   CYS 605           HG       CYS 605  74.677  -8.161  15.010
  Start of MODEL    7
    1    H    TYR 541           HT1      TYR 541  37.156   5.283 -11.230
    2    HA   TYR 541           HA       TYR 541  36.348   7.206 -10.013
    3    HB2  TYR 541           HB2      TYR 541  35.634   5.115  -7.932
    4    HB3  TYR 541           HB1      TYR 541  35.576   6.858  -7.672
    5    HD1  TYR 541           HD1      TYR 541  33.965   8.268  -8.951
    6    HD2  TYR 541           HD2      TYR 541  33.934   3.979  -9.208
    7    HE1  TYR 541           HE1      TYR 541  31.696   8.343  -9.948
    8    HE2  TYR 541           HE2      TYR 541  31.665   4.056 -10.205
    9    HH   TYR 541           HH       TYR 541  30.367   6.428 -11.634
   10    H    HIS 542           HN       HIS 542  37.638   4.539  -8.003
   11    HA   HIS 542           HA       HIS 542  39.853   6.200  -7.089
   12    HB2  HIS 542           HB2      HIS 542  38.979   4.532  -5.575
   13    HB3  HIS 542           HB1      HIS 542  39.231   3.251  -6.756
   14    HD1  HIS 542           HD1      HIS 542  41.371   5.882  -4.990
   15    HD2  HIS 542           HD2      HIS 542  41.624   1.949  -6.347
   16    HE1  HIS 542           HE1      HIS 542  43.669   5.044  -4.334
   17    H    GLU 543           HN       GLU 543  42.141   5.277  -7.293
   18    HA   GLU 543           HA       GLU 543  42.683   4.809 -10.160
   19    HB2  GLU 543           HB2      GLU 543  44.477   5.387  -7.785
   20    HB3  GLU 543           HB1      GLU 543  45.088   5.087  -9.412
   21    HG2  GLU 543           HG2      GLU 543  43.947   7.013 -10.287
   22    HG3  GLU 543           HG1      GLU 543  43.043   7.233  -8.788
   23    H    ARG 544           HN       ARG 544  41.471   2.592  -9.385
   24    HA   ARG 544           HA       ARG 544  43.296   0.623  -8.222
   25    HB2  ARG 544           HB2      ARG 544  40.552   0.796  -8.485
   26    HB3  ARG 544           HB1      ARG 544  40.971  -0.407  -9.704
   27    HG2  ARG 544           HG2      ARG 544  42.084  -0.557  -6.899
   28    HG3  ARG 544           HG1      ARG 544  40.520  -1.258  -7.308
   29    HD2  ARG 544           HD2      ARG 544  41.770  -2.436  -9.243
   30    HD3  ARG 544           HD1      ARG 544  43.242  -2.007  -8.372
   31    HE   ARG 544           HE       ARG 544  41.647  -3.217  -6.448
   32   HH11  ARG 544          HH11      ARG 544  41.701  -5.432  -6.034
   33   HH12  ARG 544          HH12      ARG 544  42.237  -6.521  -7.269
   34   HH21  ARG 544          HH21      ARG 544  42.835  -4.020  -9.589
   35   HH22  ARG 544          HH22      ARG 544  42.878  -5.722  -9.278
   36    H    ARG 545           HN       ARG 545  44.081   2.050 -10.734
   37    HA   ARG 545           HA       ARG 545  43.948   0.068 -12.874
   38    HB2  ARG 545           HB2      ARG 545  45.828   2.433 -12.696
   39    HB3  ARG 545           HB1      ARG 545  45.250   1.618 -14.149
   40    HG2  ARG 545           HG2      ARG 545  42.882   2.302 -13.344
   41    HG3  ARG 545           HG1      ARG 545  43.725   3.430 -12.282
   42    HD2  ARG 545           HD2      ARG 545  44.881   4.397 -14.251
   43    HD3  ARG 545           HD1      ARG 545  43.987   3.296 -15.300
   44    HE   ARG 545           HE       ARG 545  42.007   4.609 -13.865
   45   HH11  ARG 545          HH11      ARG 545  41.046   6.518 -14.575
   46   HH12  ARG 545          HH12      ARG 545  41.904   7.555 -15.665
   47   HH21  ARG 545          HH21      ARG 545  44.705   5.524 -15.818
   48   HH22  ARG 545          HH22      ARG 545  43.972   6.993 -16.367
   49    H    GLY 546           HN       GLY 546  45.805   0.388 -10.068
   50    HA2  GLY 546           HA2      GLY 546  47.396  -1.904 -10.554
   51    HA3  GLY 546           HA1      GLY 546  48.374  -0.492 -10.962
   52    H    SER 547           HN       SER 547  49.117   0.842  -9.306
   53    HA   SER 547           HA       SER 547  48.146   0.692  -6.582
   54    HB2  SER 547           HB2      SER 547  50.201  -1.195  -7.419
   55    HB3  SER 547           HB1      SER 547  50.792  -0.135  -6.144
   56    HG   SER 547           HG       SER 547  48.337  -1.567  -6.094
   57    H    LEU 548           HN       LEU 548  48.498   2.759  -5.901
   58    HA   LEU 548           HA       LEU 548  50.329   4.511  -7.278
   59    HB2  LEU 548           HB2      LEU 548  48.563   4.754  -4.871
   60    HB3  LEU 548           HB1      LEU 548  49.811   5.965  -5.128
   61    HG   LEU 548           HG       LEU 548  48.938   6.464  -7.349
   62   HD11  LEU 548          HD11      LEU 548  47.018   4.208  -6.738
   63   HD12  LEU 548          HD12      LEU 548  48.153   4.325  -8.084
   64   HD13  LEU 548          HD13      LEU 548  46.746   5.382  -8.025
   65   HD21  LEU 548          HD21      LEU 548  47.834   7.303  -5.082
   66   HD22  LEU 548          HD22      LEU 548  46.454   6.381  -5.677
   67   HD23  LEU 548          HD23      LEU 548  47.110   7.704  -6.639
   68    H    CYS 549           HN       CYS 549  52.378   5.144  -6.715
   69    HA   CYS 549           HA       CYS 549  53.828   3.496  -4.780
   70    HB2  CYS 549           HB2      CYS 549  55.266   3.966  -6.515
   71    HB3  CYS 549           HB1      CYS 549  54.505   5.514  -6.866
   72    H    SER 550           HN       SER 550  53.576   4.014  -2.652
   73    HA   SER 550           HA       SER 550  52.572   6.437  -1.656
   74    HB2  SER 550           HB2      SER 550  54.596   4.647  -0.283
   75    HB3  SER 550           HB1      SER 550  53.552   5.822   0.507
   76    HG   SER 550           HG       SER 550  52.927   3.367  -0.709
   77    H    GLY 551           HN       GLY 551  53.388   8.363  -2.122
   78    HA2  GLY 551           HA2      GLY 551  55.311   9.924  -1.474
   79    HA3  GLY 551           HA1      GLY 551  56.356   8.720  -2.243
   80    H    CYS 552           HN       CYS 552  54.374   8.089  -4.308
   81    HA   CYS 552           HA       CYS 552  54.756  10.496  -6.044
   82    HB2  CYS 552           HB2      CYS 552  54.705   7.542  -6.533
   83    HB3  CYS 552           HB1      CYS 552  54.162   8.614  -7.823
   84    H    GLN 553           HN       GLN 553  52.411   8.255  -4.722
   85    HA   GLN 553           HA       GLN 553  50.074   8.218  -4.806
   86    HB2  GLN 553           HB2      GLN 553  50.562  11.122  -5.547
   87    HB3  GLN 553           HB1      GLN 553  48.966  10.446  -5.224
   88    HG2  GLN 553           HG2      GLN 553  49.652  11.360  -3.148
   89    HG3  GLN 553           HG1      GLN 553  49.948   9.632  -2.987
   90   HE21  GLN 553          HE21      GLN 553  51.836   9.502  -1.738
   91   HE22  GLN 553          HE22      GLN 553  53.274  10.335  -2.081
   92    H    LYS 554           HN       LYS 554  51.702   7.545  -7.159
   93    HA   LYS 554           HA       LYS 554  49.575   7.813  -9.225
   94    HB2  LYS 554           HB2      LYS 554  52.559   8.222  -9.618
   95    HB3  LYS 554           HB1      LYS 554  51.420   7.999 -10.946
   96    HG2  LYS 554           HG2      LYS 554  51.225  10.196  -8.863
   97    HG3  LYS 554           HG1      LYS 554  51.892  10.407 -10.482
   98    HD2  LYS 554           HD2      LYS 554  49.661   9.514 -11.361
   99    HD3  LYS 554           HD1      LYS 554  49.048   9.719  -9.722
  100    HE2  LYS 554           HE2      LYS 554  50.356  11.944 -11.308
  101    HE3  LYS 554           HE1      LYS 554  48.613  11.691 -11.232
  102    HZ1  LYS 554           HZ1      LYS 554  48.830  11.815  -8.768
  103    HZ2  LYS 554           HZ2      LYS 554  49.181  13.268  -9.576
  104    HZ3  LYS 554           HZ3      LYS 554  50.442  12.298  -8.979
  105    HA   PRO 555           HA       PRO 555  49.737   3.415  -9.350
  106    HB2  PRO 555           HB2      PRO 555  49.908   3.633 -12.289
  107    HB3  PRO 555           HB1      PRO 555  48.701   2.822 -11.282
  108    HG2  PRO 555           HG2      PRO 555  48.325   5.243 -12.592
  109    HG3  PRO 555           HG1      PRO 555  47.354   4.667 -11.234
  110    HD2  PRO 555           HD2      PRO 555  49.242   6.890 -11.297
  111    HD3  PRO 555           HD1      PRO 555  48.140   6.408  -9.983
  112    H    ILE 556           HN       ILE 556  51.158   1.703  -9.741
  113    HA   ILE 556           HA       ILE 556  53.919   2.519 -10.511
  114    HB   ILE 556           HB       ILE 556  52.847   0.285  -8.767
  115   HG12  ILE 556          HG12      ILE 556  54.802   2.436  -7.971
  116   HG13  ILE 556          HG11      ILE 556  53.078   2.790  -8.009
  117   HG21  ILE 556          HG21      ILE 556  55.694   0.909  -9.621
  118   HG22  ILE 556          HG22      ILE 556  54.782  -0.551  -9.998
  119   HG23  ILE 556          HG23      ILE 556  55.263  -0.218  -8.336
  120   HD11  ILE 556          HD11      ILE 556  53.141   0.375  -6.679
  121   HD12  ILE 556          HD12      ILE 556  53.049   1.954  -5.902
  122   HD13  ILE 556          HD13      ILE 556  54.610   1.160  -6.101
  123    H    THR 557           HN       THR 557  53.884   2.156 -12.736
  124    HA   THR 557           HA       THR 557  52.700  -0.258 -13.870
  125    HB   THR 557           HB       THR 557  53.738   0.595 -15.998
  126    HG1  THR 557           HG1      THR 557  55.506   1.632 -14.890
  127   HG21  THR 557          HG21      THR 557  51.580   1.401 -15.782
  128   HG22  THR 557          HG22      THR 557  52.470   2.923 -15.759
  129   HG23  THR 557          HG23      THR 557  51.917   2.202 -14.246
  130    H    GLY 558           HN       GLY 558  53.683  -2.181 -13.712
  131    HA2  GLY 558           HA2      GLY 558  55.595  -3.584 -14.458
  132    HA3  GLY 558           HA1      GLY 558  56.668  -2.312 -13.862
  133    H    ARG 559           HN       ARG 559  57.707  -3.712 -12.322
  134    HA   ARG 559           HA       ARG 559  56.252  -5.286 -10.426
  135    HB2  ARG 559           HB2      ARG 559  58.492  -4.815  -9.039
  136    HB3  ARG 559           HB1      ARG 559  58.432  -5.974 -10.367
  137    HG2  ARG 559           HG2      ARG 559  58.946  -3.142 -11.076
  138    HG3  ARG 559           HG1      ARG 559  60.237  -4.009 -10.262
  139    HD2  ARG 559           HD2      ARG 559  60.171  -5.778 -11.926
  140    HD3  ARG 559           HD1      ARG 559  58.789  -5.029 -12.714
  141    HE   ARG 559           HE       ARG 559  61.528  -4.443 -13.239
  142   HH11  ARG 559          HH11      ARG 559  62.265  -2.519 -14.100
  143   HH12  ARG 559          HH12      ARG 559  61.236  -1.127 -14.102
  144   HH21  ARG 559          HH21      ARG 559  58.583  -2.741 -12.592
  145   HH22  ARG 559          HH22      ARG 559  59.164  -1.252 -13.249
  146    H    CYS 560           HN       CYS 560  56.486  -4.717  -7.968
  147    HA   CYS 560           HA       CYS 560  56.395  -1.871  -7.334
  148    HB2  CYS 560           HB2      CYS 560  54.060  -1.778  -6.658
  149    HB3  CYS 560           HB1      CYS 560  54.145  -2.259  -8.351
  150    HG   CYS 560           HG       CYS 560  54.097  -4.736  -6.657
  151    H    ILE 561           HN       ILE 561  56.809  -1.554  -5.204
  152    HA   ILE 561           HA       ILE 561  57.207  -3.969  -3.541
  153    HB   ILE 561           HB       ILE 561  57.798  -1.167  -2.624
  154   HG12  ILE 561          HG12      ILE 561  58.678  -1.355  -4.951
  155   HG13  ILE 561          HG11      ILE 561  59.971  -1.250  -3.762
  156   HG21  ILE 561          HG21      ILE 561  58.629  -3.949  -1.999
  157   HG22  ILE 561          HG22      ILE 561  58.412  -2.568  -0.924
  158   HG23  ILE 561          HG23      ILE 561  59.883  -2.716  -1.887
  159   HD11  ILE 561          HD11      ILE 561  58.936  -3.821  -4.995
  160   HD12  ILE 561          HD12      ILE 561  60.251  -3.695  -3.826
  161   HD13  ILE 561          HD13      ILE 561  60.436  -3.005  -5.438
  162    H    THR 562           HN       THR 562  56.221  -4.203  -1.480
  163    HA   THR 562           HA       THR 562  53.927  -2.366  -0.928
  164    HB   THR 562           HB       THR 562  53.949  -5.391  -0.685
  165    HG1  THR 562           HG1      THR 562  53.672  -4.478  -2.806
  166   HG21  THR 562          HG21      THR 562  52.599  -4.661   1.091
  167   HG22  THR 562          HG22      THR 562  51.438  -4.875  -0.219
  168   HG23  THR 562          HG23      THR 562  52.014  -3.260   0.194
  169    H    ALA 563           HN       ALA 563  54.677  -1.312   0.853
  170    HA   ALA 563           HA       ALA 563  56.244  -2.768   2.885
  171    HB1  ALA 563           HB1      ALA 563  56.622  -0.599   3.875
  172    HB2  ALA 563           HB2      ALA 563  55.327   0.118   2.915
  173    HB3  ALA 563           HB3      ALA 563  56.809  -0.425   2.130
  174    H    MET 564           HN       MET 564  54.763  -0.578   4.701
  175    HA   MET 564           HA       MET 564  53.014  -2.511   5.979
  176    HB2  MET 564           HB2      MET 564  53.327   0.475   6.385
  177    HB3  MET 564           HB1      MET 564  52.419  -0.595   7.450
  178    HG2  MET 564           HG2      MET 564  54.509  -1.928   7.810
  179    HG3  MET 564           HG1      MET 564  55.390  -0.731   6.861
  180    HE1  MET 564           HE1      MET 564  53.758  -1.856   9.883
  181    HE2  MET 564           HE2      MET 564  52.592  -0.536   9.872
  182    HE3  MET 564           HE3      MET 564  53.854  -0.576  11.100
  183    H    ALA 565           HN       ALA 565  52.027  -2.650   3.631
  184    HA   ALA 565           HA       ALA 565  49.954  -2.547   2.509
  185    HB1  ALA 565           HB1      ALA 565  49.145  -1.805   4.957
  186    HB2  ALA 565           HB2      ALA 565  48.094  -1.654   3.551
  187    HB3  ALA 565           HB3      ALA 565  48.972  -0.247   4.149
  188    H    LYS 566           HN       LYS 566  52.156  -0.052   3.084
  189    HA   LYS 566           HA       LYS 566  51.027   1.796   1.074
  190    HB2  LYS 566           HB2      LYS 566  53.168   1.871   3.116
  191    HB3  LYS 566           HB1      LYS 566  53.535   2.739   1.626
  192    HG2  LYS 566           HG2      LYS 566  51.392   3.967   1.825
  193    HG3  LYS 566           HG1      LYS 566  51.059   3.121   3.336
  194    HD2  LYS 566           HD2      LYS 566  53.583   4.734   2.915
  195    HD3  LYS 566           HD1      LYS 566  52.103   5.450   3.552
  196    HE2  LYS 566           HE2      LYS 566  52.896   4.790   5.578
  197    HE3  LYS 566           HE1      LYS 566  52.327   3.191   5.099
  198    HZ1  LYS 566           HZ1      LYS 566  54.592   3.017   5.774
  199    HZ2  LYS 566           HZ2      LYS 566  55.061   4.293   4.755
  200    HZ3  LYS 566           HZ3      LYS 566  54.541   2.819   4.090
  201    H    LYS 567           HN       LYS 567  51.706   1.834  -1.041
  202    HA   LYS 567           HA       LYS 567  53.668  -0.224  -1.856
  203    HB2  LYS 567           HB2      LYS 567  51.578   1.394  -3.289
  204    HB3  LYS 567           HB1      LYS 567  52.867   0.607  -4.199
  205    HG2  LYS 567           HG2      LYS 567  50.820  -0.814  -3.981
  206    HG3  LYS 567           HG1      LYS 567  52.258  -1.561  -3.284
  207    HD2  LYS 567           HD2      LYS 567  51.564  -1.127  -1.071
  208    HD3  LYS 567           HD1      LYS 567  50.412   0.110  -1.581
  209    HE2  LYS 567           HE2      LYS 567  48.833  -1.444  -2.278
  210    HE3  LYS 567           HE1      LYS 567  50.042  -2.694  -2.567
  211    HZ1  LYS 567           HZ1      LYS 567  50.149  -3.235  -0.359
  212    HZ2  LYS 567           HZ2      LYS 567  48.511  -2.803  -0.484
  213    HZ3  LYS 567           HZ3      LYS 567  49.634  -1.707   0.168
  214    H    PHE 568           HN       PHE 568  55.161   0.475  -3.701
  215    HA   PHE 568           HA       PHE 568  56.003   3.302  -3.684
  216    HB2  PHE 568           HB2      PHE 568  57.681   1.079  -2.479
  217    HB3  PHE 568           HB1      PHE 568  58.377   2.594  -3.039
  218    HD1  PHE 568           HD1      PHE 568  56.316   0.967  -0.475
  219    HD2  PHE 568           HD2      PHE 568  57.872   4.717  -1.882
  220    HE1  PHE 568           HE1      PHE 568  55.760   2.014   1.702
  221    HE2  PHE 568           HE2      PHE 568  57.311   5.763   0.296
  222    HZ   PHE 568           HZ       PHE 568  56.257   4.412   2.088
  223    H    HIS 569           HN       HIS 569  57.063   3.753  -5.639
  224    HA   HIS 569           HA       HIS 569  57.063   1.826  -7.743
  225    HB2  HIS 569           HB2      HIS 569  58.532   4.428  -7.318
  226    HB3  HIS 569           HB1      HIS 569  58.933   3.414  -8.698
  227    HD2  HIS 569           HD2      HIS 569  56.370   2.754 -10.241
  228    HE1  HIS 569           HE1      HIS 569  54.788   6.553  -9.291
  229    HE2  HIS 569           HE2      HIS 569  54.548   4.525 -10.810
  230    HA   PRO 570           HA       PRO 570  60.339  -0.852  -6.368
  231    HB2  PRO 570           HB2      PRO 570  61.128  -1.026  -9.211
  232    HB3  PRO 570           HB1      PRO 570  60.612  -2.302  -8.102
  233    HG2  PRO 570           HG2      PRO 570  59.044  -1.289 -10.138
  234    HG3  PRO 570           HG1      PRO 570  58.423  -2.113  -8.708
  235    HD2  PRO 570           HD2      PRO 570  58.237   0.731  -9.421
  236    HD3  PRO 570           HD1      PRO 570  57.342  -0.178  -8.178
  237    H    GLU 571           HN       GLU 571  60.788   2.109  -7.940
  238    HA   GLU 571           HA       GLU 571  63.738   2.053  -7.470
  239    HB2  GLU 571           HB2      GLU 571  63.933   3.772  -9.160
  240    HB3  GLU 571           HB1      GLU 571  62.974   2.453  -9.834
  241    HG2  GLU 571           HG2      GLU 571  60.995   3.923  -8.722
  242    HG3  GLU 571           HG1      GLU 571  62.147   5.202  -9.085
  243    H    HIS 572           HN       HIS 572  60.753   3.360  -6.412
  244    HA   HIS 572           HA       HIS 572  62.101   5.708  -5.152
  245    HB2  HIS 572           HB2      HIS 572  59.154   5.041  -5.468
  246    HB3  HIS 572           HB1      HIS 572  59.771   6.460  -4.623
  247    HD2  HIS 572           HD2      HIS 572  62.245   6.675  -7.129
  248    HE1  HIS 572           HE1      HIS 572  58.891   7.941  -9.350
  249    HE2  HIS 572           HE2      HIS 572  61.430   7.871  -9.286
  250    H    PHE 573           HN       PHE 573  61.136   2.549  -4.474
  251    HA   PHE 573           HA       PHE 573  60.448   2.935  -1.668
  252    HB2  PHE 573           HB2      PHE 573  59.678   0.955  -3.000
  253    HB3  PHE 573           HB1      PHE 573  61.353   0.423  -3.107
  254    HD1  PHE 573           HD1      PHE 573  59.208   1.806  -0.344
  255    HD2  PHE 573           HD2      PHE 573  61.795  -1.354  -1.669
  256    HE1  PHE 573           HE1      PHE 573  59.005   0.713   1.870
  257    HE2  PHE 573           HE2      PHE 573  61.594  -2.447   0.547
  258    HZ   PHE 573           HZ       PHE 573  60.196  -1.414   2.315
  259    H    VAL 574           HN       VAL 574  62.237   4.176  -0.921
  260    HA   VAL 574           HA       VAL 574  64.862   2.760  -0.924
  261    HB   VAL 574           HB       VAL 574  65.847   4.957  -0.386
  262   HG11  VAL 574          HG11      VAL 574  64.933   4.129  -2.808
  263   HG12  VAL 574          HG12      VAL 574  65.829   5.629  -2.573
  264   HG13  VAL 574          HG13      VAL 574  64.068   5.658  -2.657
  265   HG21  VAL 574          HG21      VAL 574  62.961   5.894  -0.540
  266   HG22  VAL 574          HG22      VAL 574  64.357   6.971  -0.492
  267   HG23  VAL 574          HG23      VAL 574  64.001   5.929   0.885
  268    H    CYS 575           HN       CYS 575  66.175   3.261   1.137
  269    HA   CYS 575           HA       CYS 575  64.649   2.289   3.420
  270    HB2  CYS 575           HB2      CYS 575  66.902   1.503   3.166
  271    HB3  CYS 575           HB1      CYS 575  67.528   3.143   3.048
  272    H    ALA 576           HN       ALA 576  63.753   3.516   5.023
  273    HA   ALA 576           HA       ALA 576  63.779   6.412   4.838
  274    HB1  ALA 576           HB1      ALA 576  62.540   6.261   7.040
  275    HB2  ALA 576           HB2      ALA 576  62.758   4.512   6.968
  276    HB3  ALA 576           HB3      ALA 576  61.812   5.336   5.729
  277    H    PHE 577           HN       PHE 577  66.427   5.388   5.077
  278    HA   PHE 577           HA       PHE 577  67.299   6.806   7.533
  279    HB2  PHE 577           HB2      PHE 577  67.187   4.176   7.767
  280    HB3  PHE 577           HB1      PHE 577  68.658   4.225   6.802
  281    HD1  PHE 577           HD1      PHE 577  70.709   4.505   7.883
  282    HD2  PHE 577           HD2      PHE 577  67.117   5.855   9.816
  283    HE1  PHE 577           HE1      PHE 577  72.017   5.090   9.906
  284    HE2  PHE 577           HE2      PHE 577  68.426   6.439  11.839
  285    HZ   PHE 577           HZ       PHE 577  70.876   6.057  11.884
  286    H    CYS 578           HN       CYS 578  68.673   4.851   4.883
  287    HA   CYS 578           HA       CYS 578  70.673   6.997   4.395
  288    HB2  CYS 578           HB2      CYS 578  71.571   5.201   2.754
  289    HB3  CYS 578           HB1      CYS 578  71.733   4.884   4.480
  290    H    LEU 579           HN       LEU 579  67.756   5.681   3.147
  291    HA   LEU 579           HA       LEU 579  66.483   6.157   1.248
  292    HB2  LEU 579           HB2      LEU 579  68.133   8.703   1.329
  293    HB3  LEU 579           HB1      LEU 579  66.642   8.480   0.415
  294    HG   LEU 579           HG       LEU 579  65.896   7.648   2.934
  295   HD11  LEU 579          HD11      LEU 579  66.753   9.180   4.556
  296   HD12  LEU 579          HD12      LEU 579  67.576  10.134   3.321
  297   HD13  LEU 579          HD13      LEU 579  68.159   8.520   3.722
  298   HD21  LEU 579          HD21      LEU 579  65.748  10.426   1.719
  299   HD22  LEU 579          HD22      LEU 579  64.750   9.862   3.059
  300   HD23  LEU 579          HD23      LEU 579  64.595   9.115   1.469
  301    H    LYS 580           HN       LYS 580  69.360   5.003   0.961
  302    HA   LYS 580           HA       LYS 580  70.292   5.908  -1.625
  303    HB2  LYS 580           HB2      LYS 580  71.720   3.891  -1.570
  304    HB3  LYS 580           HB1      LYS 580  71.785   4.752  -0.033
  305    HG2  LYS 580           HG2      LYS 580  69.860   3.151   0.690
  306    HG3  LYS 580           HG1      LYS 580  70.366   2.173  -0.686
  307    HD2  LYS 580           HD2      LYS 580  72.730   2.915   0.708
  308    HD3  LYS 580           HD1      LYS 580  71.570   2.361   1.915
  309    HE2  LYS 580           HE2      LYS 580  72.752   0.412   1.174
  310    HE3  LYS 580           HE1      LYS 580  71.156   0.341   0.428
  311    HZ1  LYS 580           HZ1      LYS 580  72.820   1.821  -1.251
  312    HZ2  LYS 580           HZ2      LYS 580  72.130   0.296  -1.542
  313    HZ3  LYS 580           HZ3      LYS 580  73.666   0.414  -0.826
  314    H    GLN 581           HN       GLN 581  68.581   2.949  -0.598
  315    HA   GLN 581           HA       GLN 581  66.702   2.930  -2.717
  316    HB2  GLN 581           HB2      GLN 581  69.249   2.185  -3.633
  317    HB3  GLN 581           HB1      GLN 581  68.410   0.659  -3.378
  318    HG2  GLN 581           HG2      GLN 581  66.635   2.570  -4.624
  319    HG3  GLN 581           HG1      GLN 581  68.117   2.418  -5.567
  320   HE21  GLN 581          HE21      GLN 581  65.261   0.703  -4.437
  321   HE22  GLN 581          HE22      GLN 581  65.489  -0.684  -5.386
  322    H    LEU 582           HN       LEU 582  65.483   0.806  -2.687
  323    HA   LEU 582           HA       LEU 582  66.211  -1.078  -0.579
  324    HB2  LEU 582           HB2      LEU 582  65.023   1.093   0.401
  325    HB3  LEU 582           HB1      LEU 582  63.569   0.241  -0.112
  326    HG   LEU 582           HG       LEU 582  64.444  -1.777   1.133
  327   HD11  LEU 582          HD11      LEU 582  66.654   0.093   1.535
  328   HD12  LEU 582          HD12      LEU 582  66.612  -1.655   1.756
  329   HD13  LEU 582          HD13      LEU 582  66.061  -0.589   3.047
  330   HD21  LEU 582          HD21      LEU 582  63.549   0.797   2.334
  331   HD22  LEU 582          HD22      LEU 582  64.092  -0.458   3.448
  332   HD23  LEU 582          HD23      LEU 582  62.757  -0.777   2.341
  333    H    ASN 583           HN       ASN 583  64.726  -2.894  -0.457
  334    HA   ASN 583           HA       ASN 583  62.631  -3.097  -2.521
  335    HB2  ASN 583           HB2      ASN 583  63.635  -5.171  -3.459
  336    HB3  ASN 583           HB1      ASN 583  64.651  -3.760  -3.748
  337   HD21  ASN 583          HD21      ASN 583  66.523  -3.461  -2.182
  338   HD22  ASN 583          HD22      ASN 583  67.220  -4.840  -1.479
  339    H    LYS 584           HN       LYS 584  60.986  -4.345  -1.733
  340    HA   LYS 584           HA       LYS 584  60.867  -5.260   0.922
  341    HB2  LYS 584           HB2      LYS 584  58.795  -5.063  -0.174
  342    HB3  LYS 584           HB1      LYS 584  59.346  -5.970  -1.578
  343    HG2  LYS 584           HG2      LYS 584  57.835  -7.384  -0.328
  344    HG3  LYS 584           HG1      LYS 584  59.462  -8.023  -0.122
  345    HD2  LYS 584           HD2      LYS 584  58.392  -7.998   2.049
  346    HD3  LYS 584           HD1      LYS 584  59.617  -6.730   2.037
  347    HE2  LYS 584           HE2      LYS 584  58.048  -5.021   1.964
  348    HE3  LYS 584           HE1      LYS 584  56.836  -6.030   1.178
  349    HZ1  LYS 584           HZ1      LYS 584  55.954  -6.266   3.189
  350    HZ2  LYS 584           HZ2      LYS 584  57.311  -5.599   3.963
  351    HZ3  LYS 584           HZ3      LYS 584  57.279  -7.253   3.575
  352    H    GLY 585           HN       GLY 585  62.227  -6.786  -1.895
  353    HA2  GLY 585           HA2      GLY 585  62.256  -9.494  -1.109
  354    HA3  GLY 585           HA1      GLY 585  63.468  -8.749  -2.143
  355    H    THR 586           HN       THR 586  64.325  -6.830  -0.020
  356    HA   THR 586           HA       THR 586  65.403  -8.663   2.053
  357    HB   THR 586           HB       THR 586  67.728  -7.952   1.600
  358    HG1  THR 586           HG1      THR 586  66.576  -6.741  -0.692
  359   HG21  THR 586          HG21      THR 586  66.773 -10.014   0.540
  360   HG22  THR 586          HG22      THR 586  68.075  -9.284  -0.399
  361   HG23  THR 586          HG23      THR 586  66.397  -9.054  -0.891
  362    H    PHE 587           HN       PHE 587  63.575  -6.321   2.159
  363    HA   PHE 587           HA       PHE 587  65.328  -4.363   3.573
  364    HB2  PHE 587           HB2      PHE 587  63.865  -2.713   3.014
  365    HB3  PHE 587           HB1      PHE 587  63.329  -3.840   1.784
  366    HD1  PHE 587           HD1      PHE 587  62.139  -1.683   4.175
  367    HD2  PHE 587           HD2      PHE 587  61.658  -5.763   2.918
  368    HE1  PHE 587           HE1      PHE 587  59.894  -1.741   5.223
  369    HE2  PHE 587           HE2      PHE 587  59.414  -5.819   3.970
  370    HZ   PHE 587           HZ       PHE 587  58.531  -3.809   5.122
  371    H    LYS 588           HN       LYS 588  64.055  -3.310   5.455
  372    HA   LYS 588           HA       LYS 588  62.540  -5.267   7.082
  373    HB2  LYS 588           HB2      LYS 588  65.197  -4.018   7.793
  374    HB3  LYS 588           HB1      LYS 588  64.053  -4.459   9.057
  375    HG2  LYS 588           HG2      LYS 588  64.980  -6.404   6.925
  376    HG3  LYS 588           HG1      LYS 588  65.784  -6.232   8.484
  377    HD2  LYS 588           HD2      LYS 588  64.287  -7.670   9.352
  378    HD3  LYS 588           HD1      LYS 588  63.040  -6.451   9.090
  379    HE2  LYS 588           HE2      LYS 588  62.539  -7.330   6.902
  380    HE3  LYS 588           HE1      LYS 588  63.929  -8.411   6.958
  381    HZ1  LYS 588           HZ1      LYS 588  61.627  -9.346   7.525
  382    HZ2  LYS 588           HZ2      LYS 588  61.824  -8.558   9.017
  383    HZ3  LYS 588           HZ3      LYS 588  62.929  -9.754   8.533
  384    H    GLU 589           HN       GLU 589  61.693  -3.969   9.117
  385    HA   GLU 589           HA       GLU 589  61.471  -1.080   8.476
  386    HB2  GLU 589           HB2      GLU 589  59.166  -1.032   8.328
  387    HB3  GLU 589           HB1      GLU 589  59.486  -2.611   7.611
  388    HG2  GLU 589           HG2      GLU 589  59.229  -3.551   9.996
  389    HG3  GLU 589           HG1      GLU 589  58.534  -1.984  10.411
  390    H    GLN 590           HN       GLN 590  60.907   0.228  10.239
  391    HA   GLN 590           HA       GLN 590  60.535  -0.933  12.903
  392    HB2  GLN 590           HB2      GLN 590  63.058  -0.925  12.418
  393    HB3  GLN 590           HB1      GLN 590  62.945   0.832  12.409
  394    HG2  GLN 590           HG2      GLN 590  63.563   0.246  14.631
  395    HG3  GLN 590           HG1      GLN 590  61.848   0.643  14.709
  396   HE21  GLN 590          HE21      GLN 590  63.266  -2.386  13.429
  397   HE22  GLN 590          HE22      GLN 590  62.550  -3.398  14.589
  398    H    ASN 591           HN       ASN 591  59.744   0.686  14.361
  399    HA   ASN 591           HA       ASN 591  58.534   2.629  14.867
  400    HB2  ASN 591           HB2      ASN 591  60.836   3.679  13.219
  401    HB3  ASN 591           HB1      ASN 591  59.626   4.760  13.903
  402   HD21  ASN 591          HD21      ASN 591  62.601   3.379  14.570
  403   HD22  ASN 591          HD22      ASN 591  62.569   3.473  16.264
  404    H    ASP 592           HN       ASP 592  57.992   1.094  12.222
  405    HA   ASP 592           HA       ASP 592  56.228   1.282  10.667
  406    HB2  ASP 592           HB2      ASP 592  55.430   3.087  12.469
  407    HB3  ASP 592           HB1      ASP 592  55.868   4.204  11.174
  408    H    LYS 593           HN       LYS 593  59.045   1.796  10.060
  409    HA   LYS 593           HA       LYS 593  58.610   3.217   7.510
  410    HB2  LYS 593           HB2      LYS 593  61.130   4.162   8.313
  411    HB3  LYS 593           HB1      LYS 593  59.648   5.100   8.169
  412    HG2  LYS 593           HG2      LYS 593  59.152   4.184  10.583
  413    HG3  LYS 593           HG1      LYS 593  60.887   3.896  10.625
  414    HD2  LYS 593           HD2      LYS 593  60.589   6.081  11.521
  415    HD3  LYS 593           HD1      LYS 593  61.165   6.325   9.873
  416    HE2  LYS 593           HE2      LYS 593  59.187   7.773  10.554
  417    HE3  LYS 593           HE1      LYS 593  58.956   6.832   9.081
  418    HZ1  LYS 593           HZ1      LYS 593  58.184   5.569  11.595
  419    HZ2  LYS 593           HZ2      LYS 593  57.454   5.479  10.063
  420    HZ3  LYS 593           HZ3      LYS 593  57.204   6.841  11.048
  421    HA   PRO 594           HA       PRO 594  61.157  -0.060   6.024
  422    HB2  PRO 594           HB2      PRO 594  62.323   1.205   3.879
  423    HB3  PRO 594           HB1      PRO 594  60.668   0.589   3.900
  424    HG2  PRO 594           HG2      PRO 594  61.646   3.388   4.159
  425    HG3  PRO 594           HG1      PRO 594  60.163   2.781   3.420
  426    HD2  PRO 594           HD2      PRO 594  60.276   3.984   5.919
  427    HD3  PRO 594           HD1      PRO 594  58.996   2.853   5.412
  428    H    TYR 595           HN       TYR 595  63.283  -0.801   5.864
  429    HA   TYR 595           HA       TYR 595  65.590   0.955   6.214
  430    HB2  TYR 595           HB2      TYR 595  64.656  -0.879   8.452
  431    HB3  TYR 595           HB1      TYR 595  66.292  -0.239   8.348
  432    HD1  TYR 595           HD1      TYR 595  63.080   0.322   9.674
  433    HD2  TYR 595           HD2      TYR 595  66.425   2.393   7.960
  434    HE1  TYR 595           HE1      TYR 595  62.328   2.426  10.743
  435    HE2  TYR 595           HE2      TYR 595  65.668   4.500   9.031
  436    HH   TYR 595           HH       TYR 595  63.743   5.496   9.960
  437    H    CYS 596           HN       CYS 596  67.171  -0.082   5.000
  438    HA   CYS 596           HA       CYS 596  66.825  -2.611   3.812
  439    HB2  CYS 596           HB2      CYS 596  69.619  -1.876   4.539
  440    HB3  CYS 596           HB1      CYS 596  68.960  -2.373   2.983
  441    H    GLN 597           HN       GLN 597  67.428  -4.708   4.434
  442    HA   GLN 597           HA       GLN 597  67.215  -5.455   7.124
  443    HB2  GLN 597           HB2      GLN 597  67.100  -7.357   5.867
  444    HB3  GLN 597           HB1      GLN 597  68.155  -6.690   4.628
  445    HG2  GLN 597           HG2      GLN 597  69.236  -8.620   5.670
  446    HG3  GLN 597           HG1      GLN 597  70.123  -7.156   6.078
  447   HE21  GLN 597          HE21      GLN 597  67.117  -7.370   7.750
  448   HE22  GLN 597          HE22      GLN 597  67.725  -7.935   9.229
  449    H    ASN 598           HN       ASN 598  70.076  -4.529   5.275
  450    HA   ASN 598           HA       ASN 598  72.007  -5.085   7.337
  451    HB2  ASN 598           HB2      ASN 598  72.694  -4.735   5.002
  452    HB3  ASN 598           HB1      ASN 598  72.081  -3.082   5.054
  453   HD21  ASN 598          HD21      ASN 598  74.515  -5.229   6.600
  454   HD22  ASN 598          HD22      ASN 598  75.586  -3.977   7.007
  455    H    CYS 599           HN       CYS 599  70.036  -2.269   6.486
  456    HA   CYS 599           HA       CYS 599  71.167  -0.497   8.473
  457    HB2  CYS 599           HB2      CYS 599  68.658  -0.521   6.813
  458    HB3  CYS 599           HB1      CYS 599  68.766   0.587   8.175
  459    H    PHE 600           HN       PHE 600  68.025  -2.237   8.387
  460    HA   PHE 600           HA       PHE 600  67.224  -1.856  11.054
  461    HB2  PHE 600           HB2      PHE 600  65.741  -2.983   9.542
  462    HB3  PHE 600           HB1      PHE 600  66.936  -4.220   9.178
  463    HD1  PHE 600           HD1      PHE 600  64.336  -3.127  11.495
  464    HD2  PHE 600           HD2      PHE 600  67.523  -5.944  10.885
  465    HE1  PHE 600           HE1      PHE 600  63.427  -4.554  13.308
  466    HE2  PHE 600           HE2      PHE 600  66.615  -7.365  12.702
  467    HZ   PHE 600           HZ       PHE 600  64.566  -6.670  13.912
  468    H    LEU 601           HN       LEU 601  69.370  -4.321   9.697
  469    HA   LEU 601           HA       LEU 601  70.000  -5.708  12.106
  470    HB2  LEU 601           HB2      LEU 601  70.558  -6.572   9.884
  471    HB3  LEU 601           HB1      LEU 601  71.624  -5.204   9.593
  472    HG   LEU 601           HG       LEU 601  72.895  -5.993  11.705
  473   HD11  LEU 601          HD11      LEU 601  71.167  -7.557  12.501
  474   HD12  LEU 601          HD12      LEU 601  72.663  -8.422  12.150
  475   HD13  LEU 601          HD13      LEU 601  71.316  -8.492  11.013
  476   HD21  LEU 601          HD21      LEU 601  74.004  -7.849  10.278
  477   HD22  LEU 601          HD22      LEU 601  73.970  -6.217   9.610
  478   HD23  LEU 601          HD23      LEU 601  72.812  -7.422   9.048
  479    H    LYS 602           HN       LYS 602  70.993  -2.666  10.780
  480    HA   LYS 602           HA       LYS 602  73.239  -2.298  12.655
  481    HB2  LYS 602           HB2      LYS 602  72.699  -1.358  10.120
  482    HB3  LYS 602           HB1      LYS 602  72.267   0.022  11.119
  483    HG2  LYS 602           HG2      LYS 602  74.565   0.317  10.664
  484    HG3  LYS 602           HG1      LYS 602  74.517  -0.338  12.301
  485    HD2  LYS 602           HD2      LYS 602  76.194  -1.610  11.194
  486    HD3  LYS 602           HD1      LYS 602  74.773  -2.654  11.204
  487    HE2  LYS 602           HE2      LYS 602  74.352  -2.329   8.928
  488    HE3  LYS 602           HE1      LYS 602  75.238  -0.805   8.879
  489    HZ1  LYS 602           HZ1      LYS 602  76.566  -2.438   7.821
  490    HZ2  LYS 602           HZ2      LYS 602  76.364  -3.540   9.099
  491    HZ3  LYS 602           HZ3      LYS 602  77.283  -2.130   9.327
  492    H    LEU 603           HN       LEU 603  69.942  -1.089  12.125
  493    HA   LEU 603           HA       LEU 603  70.125   0.771  14.386
  494    HB2  LEU 603           HB2      LEU 603  67.534  -0.006  13.078
  495    HB3  LEU 603           HB1      LEU 603  68.017   1.547  13.741
  496    HG   LEU 603           HG       LEU 603  68.981   0.293  11.166
  497   HD11  LEU 603          HD11      LEU 603  67.460   2.844  11.755
  498   HD12  LEU 603          HD12      LEU 603  66.771   1.373  11.066
  499   HD13  LEU 603          HD13      LEU 603  67.966   2.298  10.156
  500   HD21  LEU 603          HD21      LEU 603  69.915   2.777  12.626
  501   HD22  LEU 603          HD22      LEU 603  70.238   2.483  10.917
  502   HD23  LEU 603          HD23      LEU 603  70.893   1.392  12.138
  503    H    PHE 604           HN       PHE 604  68.068  -2.045  13.626
  504    HA   PHE 604           HA       PHE 604  67.109  -2.291  16.339
  505    HB2  PHE 604           HB2      PHE 604  66.053  -3.141  14.110
  506    HB3  PHE 604           HB1      PHE 604  67.085  -4.549  14.352
  507    HD1  PHE 604           HD1      PHE 604  66.431  -6.268  15.827
  508    HD2  PHE 604           HD2      PHE 604  64.541  -2.419  16.083
  509    HE1  PHE 604           HE1      PHE 604  64.809  -7.173  17.470
  510    HE2  PHE 604           HE2      PHE 604  62.920  -3.324  17.727
  511    HZ   PHE 604           HZ       PHE 604  63.054  -5.701  18.420
  512    H    CYS 605           HN       CYS 605  69.956  -3.373  14.704
  513    HA   CYS 605           HA       CYS 605  70.768  -4.810  17.178
  514    HB2  CYS 605           HB2      CYS 605  69.810  -6.359  15.273
  515    HB3  CYS 605           HB1      CYS 605  71.384  -6.086  14.528
  516    HG   CYS 605           HG       CYS 605  72.345  -6.920  16.988
  Start of MODEL    8
    1    H    TYR 541           HT1      TYR 541  37.125  -1.700  -9.552
    2    HA   TYR 541           HA       TYR 541  35.787  -1.408 -11.544
    3    HB2  TYR 541           HB2      TYR 541  36.602   1.498 -11.214
    4    HB3  TYR 541           HB1      TYR 541  35.759   0.830 -12.611
    5    HD1  TYR 541           HD1      TYR 541  35.425   2.089  -9.234
    6    HD2  TYR 541           HD2      TYR 541  33.473  -0.226 -12.282
    7    HE1  TYR 541           HE1      TYR 541  33.256   2.377  -8.066
    8    HE2  TYR 541           HE2      TYR 541  31.306   0.062 -11.113
    9    HH   TYR 541           HH       TYR 541  30.830   0.667  -8.251
   10    H    HIS 542           HN       HIS 542  37.461  -2.769 -12.260
   11    HA   HIS 542           HA       HIS 542  39.501  -3.374 -13.237
   12    HB2  HIS 542           HB2      HIS 542  39.936  -0.845 -14.633
   13    HB3  HIS 542           HB1      HIS 542  39.592  -2.444 -15.285
   14    HD1  HIS 542           HD1      HIS 542  38.053   0.824 -14.654
   15    HD2  HIS 542           HD2      HIS 542  36.702  -3.063 -15.319
   16    HE1  HIS 542           HE1      HIS 542  35.596   1.010 -15.240
   17    H    GLU 543           HN       GLU 543  41.639  -1.553 -14.047
   18    HA   GLU 543           HA       GLU 543  43.079  -1.416 -11.555
   19    HB2  GLU 543           HB2      GLU 543  43.656  -0.205 -14.276
   20    HB3  GLU 543           HB1      GLU 543  44.791  -0.184 -12.926
   21    HG2  GLU 543           HG2      GLU 543  45.015  -2.546 -12.930
   22    HG3  GLU 543           HG1      GLU 543  43.575  -2.762 -13.926
   23    H    ARG 544           HN       ARG 544  41.655   1.079 -13.662
   24    HA   ARG 544           HA       ARG 544  40.926   3.250 -13.185
   25    HB2  ARG 544           HB2      ARG 544  40.018   1.851 -11.103
   26    HB3  ARG 544           HB1      ARG 544  41.209   2.813 -10.236
   27    HG2  ARG 544           HG2      ARG 544  39.340   4.199 -10.117
   28    HG3  ARG 544           HG1      ARG 544  40.136   4.820 -11.563
   29    HD2  ARG 544           HD2      ARG 544  38.438   4.156 -12.899
   30    HD3  ARG 544           HD1      ARG 544  38.377   2.563 -12.150
   31    HE   ARG 544           HE       ARG 544  37.234   4.257 -10.261
   32   HH11  ARG 544          HH11      ARG 544  35.022   4.683 -10.189
   33   HH12  ARG 544          HH12      ARG 544  34.067   4.490 -11.620
   34   HH21  ARG 544          HH21      ARG 544  36.733   3.488 -13.589
   35   HH22  ARG 544          HH22      ARG 544  35.033   3.815 -13.541
   36    H    ARG 545           HN       ARG 545  43.044   2.717 -10.359
   37    HA   ARG 545           HA       ARG 545  44.857   4.830 -11.455
   38    HB2  ARG 545           HB2      ARG 545  44.537   4.306  -8.511
   39    HB3  ARG 545           HB1      ARG 545  45.105   5.765  -9.322
   40    HG2  ARG 545           HG2      ARG 545  42.744   5.901 -10.336
   41    HG3  ARG 545           HG1      ARG 545  42.283   4.726  -9.107
   42    HD2  ARG 545           HD2      ARG 545  43.349   6.302  -7.406
   43    HD3  ARG 545           HD1      ARG 545  43.405   7.501  -8.691
   44    HE   ARG 545           HE       ARG 545  41.131   6.902  -7.093
   45   HH11  ARG 545          HH11      ARG 545  39.012   7.231  -7.737
   46   HH12  ARG 545          HH12      ARG 545  38.655   7.496  -9.410
   47   HH21  ARG 545          HH21      ARG 545  41.950   7.273 -10.433
   48   HH22  ARG 545          HH22      ARG 545  40.310   7.511 -10.930
   49    H    GLY 546           HN       GLY 546  44.808   2.253  -8.977
   50    HA2  GLY 546           HA2      GLY 546  46.335   0.281  -9.435
   51    HA3  GLY 546           HA1      GLY 546  47.549   1.478  -9.892
   52    H    SER 547           HN       SER 547  48.579   2.689  -8.260
   53    HA   SER 547           HA       SER 547  47.817   2.540  -5.471
   54    HB2  SER 547           HB2      SER 547  49.526   0.439  -6.541
   55    HB3  SER 547           HB1      SER 547  50.360   1.360  -5.294
   56    HG   SER 547           HG       SER 547  47.756   0.237  -5.077
   57    H    LEU 548           HN       LEU 548  48.475   4.520  -4.773
   58    HA   LEU 548           HA       LEU 548  50.412   6.079  -6.232
   59    HB2  LEU 548           HB2      LEU 548  48.877   6.446  -3.683
   60    HB3  LEU 548           HB1      LEU 548  50.235   7.513  -4.021
   61    HG   LEU 548           HG       LEU 548  49.245   8.188  -6.141
   62   HD11  LEU 548          HD11      LEU 548  48.161   6.221  -6.912
   63   HD12  LEU 548          HD12      LEU 548  46.859   7.371  -6.610
   64   HD13  LEU 548          HD13      LEU 548  47.189   6.087  -5.446
   65   HD21  LEU 548          HD21      LEU 548  47.155   8.243  -3.942
   66   HD22  LEU 548          HD22      LEU 548  47.274   9.365  -5.297
   67   HD23  LEU 548          HD23      LEU 548  48.524   9.349  -4.054
   68    H    CYS 549           HN       CYS 549  52.562   6.391  -5.838
   69    HA   CYS 549           HA       CYS 549  53.930   4.525  -4.055
   70    HB2  CYS 549           HB2      CYS 549  55.291   4.870  -5.876
   71    HB3  CYS 549           HB1      CYS 549  54.692   6.503  -6.145
   72    H    SER 550           HN       SER 550  53.893   5.000  -1.901
   73    HA   SER 550           HA       SER 550  53.273   7.485  -0.767
   74    HB2  SER 550           HB2      SER 550  55.157   5.408   0.381
   75    HB3  SER 550           HB1      SER 550  54.358   6.684   1.292
   76    HG   SER 550           HG       SER 550  53.331   4.347   0.154
   77    H    GLY 551           HN       GLY 551  54.272   9.326  -1.215
   78    HA2  GLY 551           HA2      GLY 551  56.390  10.644  -0.694
   79    HA3  GLY 551           HA1      GLY 551  57.247   9.349  -1.545
   80    H    CYS 552           HN       CYS 552  55.070   8.997  -3.488
   81    HA   CYS 552           HA       CYS 552  55.642  11.369  -5.219
   82    HB2  CYS 552           HB2      CYS 552  55.222   8.456  -5.715
   83    HB3  CYS 552           HB1      CYS 552  54.627   9.575  -6.940
   84    H    GLN 553           HN       GLN 553  53.115   9.417  -3.773
   85    HA   GLN 553           HA       GLN 553  50.795   9.690  -3.690
   86    HB2  GLN 553           HB2      GLN 553  51.622  12.527  -4.384
   87    HB3  GLN 553           HB1      GLN 553  49.969  12.062  -3.985
   88    HG2  GLN 553           HG2      GLN 553  50.882  12.794  -1.927
   89    HG3  GLN 553           HG1      GLN 553  50.960  11.037  -1.837
   90   HE21  GLN 553          HE21      GLN 553  52.878  10.644  -0.687
   91   HE22  GLN 553          HE22      GLN 553  54.393  11.289  -1.101
   92    H    LYS 554           HN       LYS 554  52.171   8.905  -6.174
   93    HA   LYS 554           HA       LYS 554  49.966   9.530  -8.082
   94    HB2  LYS 554           HB2      LYS 554  52.947   9.498  -8.665
   95    HB3  LYS 554           HB1      LYS 554  51.706   9.487  -9.918
   96    HG2  LYS 554           HG2      LYS 554  51.942  11.627  -7.781
   97    HG3  LYS 554           HG1      LYS 554  52.595  11.781  -9.411
   98    HD2  LYS 554           HD2      LYS 554  50.178  11.188 -10.186
   99    HD3  LYS 554           HD1      LYS 554  49.715  11.628  -8.542
  100    HE2  LYS 554           HE2      LYS 554  50.824  13.834  -8.845
  101    HE3  LYS 554           HE1      LYS 554  51.199  13.395 -10.511
  102    HZ1  LYS 554           HZ1      LYS 554  49.205  14.672 -10.503
  103    HZ2  LYS 554           HZ2      LYS 554  48.505  13.694  -9.302
  104    HZ3  LYS 554           HZ3      LYS 554  48.782  13.068 -10.857
  105    HA   PRO 555           HA       PRO 555  49.502   5.147  -8.255
  106    HB2  PRO 555           HB2      PRO 555  49.369   5.388 -11.186
  107    HB3  PRO 555           HB1      PRO 555  48.168   4.772 -10.045
  108    HG2  PRO 555           HG2      PRO 555  48.061   7.241 -11.330
  109    HG3  PRO 555           HG1      PRO 555  47.130   6.794  -9.899
  110    HD2  PRO 555           HD2      PRO 555  49.314   8.711 -10.108
  111    HD3  PRO 555           HD1      PRO 555  48.278   8.361  -8.701
  112    H    ILE 556           HN       ILE 556  50.636   3.275  -8.815
  113    HA   ILE 556           HA       ILE 556  53.377   3.744  -9.887
  114    HB   ILE 556           HB       ILE 556  52.215   1.612  -8.073
  115   HG12  ILE 556          HG12      ILE 556  54.504   3.472  -7.451
  116   HG13  ILE 556          HG11      ILE 556  52.846   4.046  -7.302
  117   HG21  ILE 556          HG21      ILE 556  54.931   1.863  -9.386
  118   HG22  ILE 556          HG22      ILE 556  53.849   0.472  -9.379
  119   HG23  ILE 556          HG23      ILE 556  54.696   0.937  -7.904
  120   HD11  ILE 556          HD11      ILE 556  52.750   1.590  -6.029
  121   HD12  ILE 556          HD12      ILE 556  52.898   3.151  -5.223
  122   HD13  ILE 556          HD13      ILE 556  54.341   2.202  -5.578
  123    H    THR 557           HN       THR 557  52.980   3.487 -12.105
  124    HA   THR 557           HA       THR 557  51.416   1.227 -13.103
  125    HB   THR 557           HB       THR 557  52.219   2.079 -15.349
  126    HG1  THR 557           HG1      THR 557  54.155   3.002 -14.638
  127   HG21  THR 557          HG21      THR 557  50.111   2.885 -14.576
  128   HG22  THR 557          HG22      THR 557  51.009   4.317 -15.080
  129   HG23  THR 557          HG23      THR 557  50.868   3.922 -13.367
  130    H    GLY 558           HN       GLY 558  52.435  -0.678 -12.543
  131    HA2  GLY 558           HA2      GLY 558  54.025  -2.232 -13.861
  132    HA3  GLY 558           HA1      GLY 558  55.267  -1.060 -13.406
  133    H    ARG 559           HN       ARG 559  56.411  -2.613 -12.103
  134    HA   ARG 559           HA       ARG 559  55.189  -4.179 -10.046
  135    HB2  ARG 559           HB2      ARG 559  57.980  -3.163 -10.550
  136    HB3  ARG 559           HB1      ARG 559  57.602  -3.950  -9.019
  137    HG2  ARG 559           HG2      ARG 559  56.582  -5.378 -11.388
  138    HG3  ARG 559           HG1      ARG 559  58.341  -5.279 -11.307
  139    HD2  ARG 559           HD2      ARG 559  58.360  -6.273  -9.100
  140    HD3  ARG 559           HD1      ARG 559  56.599  -6.206  -9.006
  141    HE   ARG 559           HE       ARG 559  57.090  -7.723 -11.277
  142   HH11  ARG 559          HH11      ARG 559  57.291  -9.966 -11.229
  143   HH12  ARG 559          HH12      ARG 559  57.775 -10.751  -9.764
  144   HH21  ARG 559          HH21      ARG 559  58.045  -7.808  -7.959
  145   HH22  ARG 559          HH22      ARG 559  58.202  -9.531  -7.916
  146    H    CYS 560           HN       CYS 560  55.324  -3.735  -7.681
  147    HA   CYS 560           HA       CYS 560  55.689  -0.923  -6.897
  148    HB2  CYS 560           HB2      CYS 560  53.437  -0.576  -6.116
  149    HB3  CYS 560           HB1      CYS 560  53.336  -1.095  -7.798
  150    HG   CYS 560           HG       CYS 560  53.154  -3.539  -6.095
  151    H    ILE 561           HN       ILE 561  56.280  -0.764  -4.795
  152    HA   ILE 561           HA       ILE 561  56.517  -3.285  -3.263
  153    HB   ILE 561           HB       ILE 561  57.476  -0.607  -2.285
  154   HG12  ILE 561          HG12      ILE 561  58.180  -0.778  -4.666
  155   HG13  ILE 561          HG11      ILE 561  59.552  -0.887  -3.571
  156   HG21  ILE 561          HG21      ILE 561  57.919  -2.247  -0.698
  157   HG22  ILE 561          HG22      ILE 561  59.409  -2.283  -1.642
  158   HG23  ILE 561          HG23      ILE 561  58.166  -3.502  -1.913
  159   HD11  ILE 561          HD11      ILE 561  59.780  -2.606  -5.272
  160   HD12  ILE 561          HD12      ILE 561  58.151  -3.197  -4.946
  161   HD13  ILE 561          HD13      ILE 561  59.417  -3.386  -3.733
  162    H    THR 562           HN       THR 562  55.631  -3.514  -1.156
  163    HA   THR 562           HA       THR 562  53.600  -1.459  -0.383
  164    HB   THR 562           HB       THR 562  53.308  -4.477  -0.236
  165    HG1  THR 562           HG1      THR 562  52.397  -4.227  -2.092
  166   HG21  THR 562          HG21      THR 562  51.704  -2.185   0.865
  167   HG22  THR 562          HG22      THR 562  52.143  -3.707   1.639
  168   HG23  THR 562          HG23      THR 562  50.892  -3.679   0.397
  169    H    ALA 563           HN       ALA 563  54.558  -0.560   1.377
  170    HA   ALA 563           HA       ALA 563  56.077  -2.252   3.262
  171    HB1  ALA 563           HB1      ALA 563  56.882   0.023   2.534
  172    HB2  ALA 563           HB2      ALA 563  56.761  -0.169   4.283
  173    HB3  ALA 563           HB3      ALA 563  55.517   0.722   3.404
  174    H    MET 564           HN       MET 564  54.985   0.041   5.220
  175    HA   MET 564           HA       MET 564  53.094  -1.706   6.563
  176    HB2  MET 564           HB2      MET 564  53.784   1.211   7.013
  177    HB3  MET 564           HB1      MET 564  52.829   0.220   8.114
  178    HG2  MET 564           HG2      MET 564  54.755  -1.335   8.351
  179    HG3  MET 564           HG1      MET 564  55.709  -0.285   7.305
  180    HE1  MET 564           HE1      MET 564  54.810   0.032  11.686
  181    HE2  MET 564           HE2      MET 564  54.605  -1.291  10.542
  182    HE3  MET 564           HE3      MET 564  53.387  -0.022  10.637
  183    H    ALA 565           HN       ALA 565  51.955  -1.655   4.276
  184    HA   ALA 565           HA       ALA 565  49.847  -1.268   3.290
  185    HB1  ALA 565           HB1      ALA 565  48.173  -0.197   4.471
  186    HB2  ALA 565           HB2      ALA 565  49.249   1.073   5.052
  187    HB3  ALA 565           HB3      ALA 565  49.281  -0.522   5.804
  188    H    LYS 566           HN       LYS 566  52.364   0.924   3.786
  189    HA   LYS 566           HA       LYS 566  51.345   2.963   1.904
  190    HB2  LYS 566           HB2      LYS 566  53.593   2.715   3.813
  191    HB3  LYS 566           HB1      LYS 566  53.978   3.582   2.327
  192    HG2  LYS 566           HG2      LYS 566  52.005   5.045   2.686
  193    HG3  LYS 566           HG1      LYS 566  51.672   4.201   4.199
  194    HD2  LYS 566           HD2      LYS 566  54.337   5.520   3.642
  195    HD3  LYS 566           HD1      LYS 566  52.995   6.386   4.391
  196    HE2  LYS 566           HE2      LYS 566  53.805   5.578   6.352
  197    HE3  LYS 566           HE1      LYS 566  53.067   4.053   5.861
  198    HZ1  LYS 566           HZ1      LYS 566  55.323   3.622   6.386
  199    HZ2  LYS 566           HZ2      LYS 566  55.872   4.917   5.432
  200    HZ3  LYS 566           HZ3      LYS 566  55.192   3.545   4.697
  201    H    LYS 567           HN       LYS 567  51.902   2.997  -0.249
  202    HA   LYS 567           HA       LYS 567  53.561   0.755  -1.238
  203    HB2  LYS 567           HB2      LYS 567  51.588   2.643  -2.498
  204    HB3  LYS 567           HB1      LYS 567  52.723   1.746  -3.505
  205    HG2  LYS 567           HG2      LYS 567  50.548   0.553  -3.202
  206    HG3  LYS 567           HG1      LYS 567  51.927  -0.369  -2.600
  207    HD2  LYS 567           HD2      LYS 567  51.404   0.083  -0.344
  208    HD3  LYS 567           HD1      LYS 567  50.371   1.451  -0.765
  209    HE2  LYS 567           HE2      LYS 567  48.599   0.094  -1.419
  210    HE3  LYS 567           HE1      LYS 567  49.649  -1.277  -1.773
  211    HZ1  LYS 567           HZ1      LYS 567  49.818  -1.836   0.435
  212    HZ2  LYS 567           HZ2      LYS 567  48.215  -1.280   0.363
  213    HZ3  LYS 567           HZ3      LYS 567  49.438  -0.277   0.985
  214    H    PHE 568           HN       PHE 568  55.012   1.340  -3.154
  215    HA   PHE 568           HA       PHE 568  56.169   4.052  -3.126
  216    HB2  PHE 568           HB2      PHE 568  57.659   1.625  -2.077
  217    HB3  PHE 568           HB1      PHE 568  58.480   3.075  -2.637
  218    HD1  PHE 568           HD1      PHE 568  58.283   5.195  -1.390
  219    HD2  PHE 568           HD2      PHE 568  56.402   1.591   0.002
  220    HE1  PHE 568           HE1      PHE 568  57.978   6.216   0.850
  221    HE2  PHE 568           HE2      PHE 568  56.092   2.616   2.237
  222    HZ   PHE 568           HZ       PHE 568  56.882   4.927   2.663
  223    H    HIS 569           HN       HIS 569  57.141   4.434  -5.139
  224    HA   HIS 569           HA       HIS 569  56.825   2.556  -7.266
  225    HB2  HIS 569           HB2      HIS 569  58.558   5.000  -6.899
  226    HB3  HIS 569           HB1      HIS 569  58.768   3.982  -8.319
  227    HD2  HIS 569           HD2      HIS 569  56.048   3.596  -9.683
  228    HE1  HIS 569           HE1      HIS 569  54.916   7.513  -8.583
  229    HE2  HIS 569           HE2      HIS 569  54.373   5.545 -10.104
  230    HA   PRO 570           HA       PRO 570  59.902  -0.455  -6.137
  231    HB2  PRO 570           HB2      PRO 570  60.492  -0.602  -9.036
  232    HB3  PRO 570           HB1      PRO 570  59.969  -1.873  -7.924
  233    HG2  PRO 570           HG2      PRO 570  58.321  -0.726  -9.799
  234    HG3  PRO 570           HG1      PRO 570  57.752  -1.482  -8.310
  235    HD2  PRO 570           HD2      PRO 570  57.796   1.375  -9.035
  236    HD3  PRO 570           HD1      PRO 570  56.883   0.553  -7.744
  237    H    GLU 571           HN       GLU 571  60.565   2.481  -7.713
  238    HA   GLU 571           HA       GLU 571  63.512   2.115  -7.371
  239    HB2  GLU 571           HB2      GLU 571  63.754   3.981  -8.978
  240    HB3  GLU 571           HB1      GLU 571  62.852   2.640  -9.685
  241    HG2  GLU 571           HG2      GLU 571  60.741   3.767  -9.263
  242    HG3  GLU 571           HG1      GLU 571  61.561   5.061  -8.396
  243    H    HIS 572           HN       HIS 572  60.725   3.710  -6.165
  244    HA   HIS 572           HA       HIS 572  62.363   5.880  -4.942
  245    HB2  HIS 572           HB2      HIS 572  59.354   5.502  -5.088
  246    HB3  HIS 572           HB1      HIS 572  60.153   6.839  -4.262
  247    HD2  HIS 572           HD2      HIS 572  62.484   6.860  -6.915
  248    HE1  HIS 572           HE1      HIS 572  59.143   8.491  -8.905
  249    HE2  HIS 572           HE2      HIS 572  61.661   8.169  -9.002
  250    H    PHE 573           HN       PHE 573  61.117   2.816  -4.253
  251    HA   PHE 573           HA       PHE 573  60.662   3.207  -1.400
  252    HB2  PHE 573           HB2      PHE 573  59.601   1.347  -2.702
  253    HB3  PHE 573           HB1      PHE 573  61.199   0.652  -2.945
  254    HD1  PHE 573           HD1      PHE 573  61.583  -1.186  -1.572
  255    HD2  PHE 573           HD2      PHE 573  59.393   2.159  -0.009
  256    HE1  PHE 573           HE1      PHE 573  61.433  -2.314   0.631
  257    HE2  PHE 573           HE2      PHE 573  59.241   1.033   2.192
  258    HZ   PHE 573           HZ       PHE 573  60.259  -1.204   2.512
  259    H    VAL 574           HN       VAL 574  62.627   4.250  -0.781
  260    HA   VAL 574           HA       VAL 574  65.076   2.561  -0.976
  261    HB   VAL 574           HB       VAL 574  66.325   4.637  -0.493
  262   HG11  VAL 574          HG11      VAL 574  64.530   5.591  -2.637
  263   HG12  VAL 574          HG12      VAL 574  65.111   3.940  -2.851
  264   HG13  VAL 574          HG13      VAL 574  66.262   5.265  -2.681
  265   HG21  VAL 574          HG21      VAL 574  63.552   5.878  -0.467
  266   HG22  VAL 574          HG22      VAL 574  65.058   6.796  -0.492
  267   HG23  VAL 574          HG23      VAL 574  64.667   5.781   0.896
  268    H    CYS 575           HN       CYS 575  66.577   2.881   0.984
  269    HA   CYS 575           HA       CYS 575  65.137   2.037   3.365
  270    HB2  CYS 575           HB2      CYS 575  67.289   1.060   2.948
  271    HB3  CYS 575           HB1      CYS 575  68.047   2.641   2.790
  272    H    ALA 576           HN       ALA 576  64.451   3.323   5.023
  273    HA   ALA 576           HA       ALA 576  64.719   6.206   4.855
  274    HB1  ALA 576           HB1      ALA 576  63.683   4.381   7.041
  275    HB2  ALA 576           HB2      ALA 576  62.729   5.287   5.867
  276    HB3  ALA 576           HB3      ALA 576  63.616   6.141   7.129
  277    H    PHE 577           HN       PHE 577  67.279   4.932   4.929
  278    HA   PHE 577           HA       PHE 577  68.421   6.262   7.325
  279    HB2  PHE 577           HB2      PHE 577  68.103   3.647   7.550
  280    HB3  PHE 577           HB1      PHE 577  69.517   3.587   6.502
  281    HD1  PHE 577           HD1      PHE 577  71.664   3.800   7.423
  282    HD2  PHE 577           HD2      PHE 577  68.264   5.196   9.650
  283    HE1  PHE 577           HE1      PHE 577  73.127   4.261   9.371
  284    HE2  PHE 577           HE2      PHE 577  69.729   5.656  11.596
  285    HZ   PHE 577           HZ       PHE 577  72.160   5.188  11.457
  286    H    CYS 578           HN       CYS 578  69.451   4.227   4.582
  287    HA   CYS 578           HA       CYS 578  71.596   6.196   3.979
  288    HB2  CYS 578           HB2      CYS 578  72.255   4.367   2.289
  289    HB3  CYS 578           HB1      CYS 578  72.435   3.970   3.996
  290    H    LEU 579           HN       LEU 579  68.499   5.157   2.916
  291    HA   LEU 579           HA       LEU 579  67.151   5.767   1.110
  292    HB2  LEU 579           HB2      LEU 579  69.012   8.165   1.105
  293    HB3  LEU 579           HB1      LEU 579  67.449   8.081   0.294
  294    HG   LEU 579           HG       LEU 579  66.812   7.275   2.853
  295   HD11  LEU 579          HD11      LEU 579  68.707   9.614   3.146
  296   HD12  LEU 579          HD12      LEU 579  69.192   7.953   3.481
  297   HD13  LEU 579          HD13      LEU 579  67.905   8.703   4.425
  298   HD21  LEU 579          HD21      LEU 579  65.537   8.864   1.495
  299   HD22  LEU 579          HD22      LEU 579  66.809  10.073   1.674
  300   HD23  LEU 579          HD23      LEU 579  65.864   9.573   3.077
  301    H    LYS 580           HN       LYS 580  69.895   4.382   0.623
  302    HA   LYS 580           HA       LYS 580  70.746   5.245  -2.001
  303    HB2  LYS 580           HB2      LYS 580  71.976   3.104  -2.069
  304    HB3  LYS 580           HB1      LYS 580  72.207   3.909  -0.518
  305    HG2  LYS 580           HG2      LYS 580  70.193   2.482   0.289
  306    HG3  LYS 580           HG1      LYS 580  70.492   1.508  -1.149
  307    HD2  LYS 580           HD2      LYS 580  73.022   1.900   0.031
  308    HD3  LYS 580           HD1      LYS 580  71.927   1.531   1.363
  309    HE2  LYS 580           HE2      LYS 580  72.789  -0.564   0.517
  310    HE3  LYS 580           HE1      LYS 580  71.096  -0.443   0.038
  311    HZ1  LYS 580           HZ1      LYS 580  71.657  -0.450  -2.096
  312    HZ2  LYS 580           HZ2      LYS 580  73.235  -0.866  -1.621
  313    HZ3  LYS 580           HZ3      LYS 580  72.824   0.762  -1.880
  314    H    GLN 581           HN       GLN 581  68.825   2.434  -0.926
  315    HA   GLN 581           HA       GLN 581  66.816   2.644  -2.904
  316    HB2  GLN 581           HB2      GLN 581  69.213   1.736  -4.038
  317    HB3  GLN 581           HB1      GLN 581  68.286   0.267  -3.756
  318    HG2  GLN 581           HG2      GLN 581  66.565   2.340  -4.809
  319    HG3  GLN 581           HG1      GLN 581  67.954   2.109  -5.870
  320   HE21  GLN 581          HE21      GLN 581  65.082   0.560  -4.547
  321   HE22  GLN 581          HE22      GLN 581  65.130  -0.806  -5.550
  322    H    LEU 582           HN       LEU 582  65.390   0.688  -2.812
  323    HA   LEU 582           HA       LEU 582  66.102  -1.373  -0.865
  324    HB2  LEU 582           HB2      LEU 582  65.236   0.845   0.317
  325    HB3  LEU 582           HB1      LEU 582  63.661   0.187  -0.117
  326    HG   LEU 582           HG       LEU 582  64.394  -1.984   0.952
  327   HD11  LEU 582          HD11      LEU 582  66.282  -1.029   2.780
  328   HD12  LEU 582          HD12      LEU 582  66.837  -0.431   1.219
  329   HD13  LEU 582          HD13      LEU 582  66.582  -2.159   1.460
  330   HD21  LEU 582          HD21      LEU 582  62.920  -0.863   2.328
  331   HD22  LEU 582          HD22      LEU 582  63.904   0.599   2.360
  332   HD23  LEU 582          HD23      LEU 582  64.356  -0.789   3.350
  333    H    ASN 583           HN       ASN 583  64.393  -3.003  -0.646
  334    HA   ASN 583           HA       ASN 583  62.140  -2.894  -2.534
  335    HB2  ASN 583           HB2      ASN 583  63.988  -3.655  -3.976
  336    HB3  ASN 583           HB1      ASN 583  64.362  -4.942  -2.830
  337   HD21  ASN 583          HD21      ASN 583  63.569  -6.895  -3.614
  338   HD22  ASN 583          HD22      ASN 583  62.083  -7.098  -4.408
  339    H    LYS 584           HN       LYS 584  60.463  -4.048  -1.689
  340    HA   LYS 584           HA       LYS 584  60.439  -5.091   0.914
  341    HB2  LYS 584           HB2      LYS 584  58.335  -4.670  -0.080
  342    HB3  LYS 584           HB1      LYS 584  58.731  -5.612  -1.515
  343    HG2  LYS 584           HG2      LYS 584  57.165  -6.881  -0.156
  344    HG3  LYS 584           HG1      LYS 584  58.733  -7.680  -0.106
  345    HD2  LYS 584           HD2      LYS 584  57.879  -7.613   2.152
  346    HD3  LYS 584           HD1      LYS 584  59.198  -6.447   2.051
  347    HE2  LYS 584           HE2      LYS 584  57.790  -4.629   2.220
  348    HE3  LYS 584           HE1      LYS 584  56.453  -5.459   1.426
  349    HZ1  LYS 584           HZ1      LYS 584  55.680  -6.208   3.361
  350    HZ2  LYS 584           HZ2      LYS 584  56.686  -5.051   4.092
  351    HZ3  LYS 584           HZ3      LYS 584  57.216  -6.656   3.922
  352    H    GLY 585           HN       GLY 585  61.474  -6.589  -2.055
  353    HA2  GLY 585           HA2      GLY 585  61.327  -9.300  -1.629
  354    HA3  GLY 585           HA1      GLY 585  62.732  -8.548  -2.371
  355    H    THR 586           HN       THR 586  63.715  -7.125  -0.090
  356    HA   THR 586           HA       THR 586  64.056  -9.139   2.044
  357    HB   THR 586           HB       THR 586  66.584  -9.034   1.796
  358    HG1  THR 586           HG1      THR 586  65.904  -8.131  -0.800
  359   HG21  THR 586          HG21      THR 586  66.655 -10.818   0.211
  360   HG22  THR 586          HG22      THR 586  65.206 -10.240  -0.611
  361   HG23  THR 586          HG23      THR 586  65.085 -10.939   1.004
  362    H    PHE 587           HN       PHE 587  62.999  -6.416   2.040
  363    HA   PHE 587           HA       PHE 587  65.155  -4.843   3.327
  364    HB2  PHE 587           HB2      PHE 587  63.871  -2.974   2.976
  365    HB3  PHE 587           HB1      PHE 587  63.144  -3.981   1.742
  366    HD1  PHE 587           HD1      PHE 587  61.327  -5.750   2.939
  367    HD2  PHE 587           HD2      PHE 587  62.317  -1.768   4.213
  368    HE1  PHE 587           HE1      PHE 587  59.144  -5.576   4.100
  369    HE2  PHE 587           HE2      PHE 587  60.132  -1.596   5.371
  370    HZ   PHE 587           HZ       PHE 587  58.546  -3.500   5.315
  371    H    LYS 588           HN       LYS 588  64.208  -3.575   5.322
  372    HA   LYS 588           HA       LYS 588  62.665  -5.353   7.125
  373    HB2  LYS 588           HB2      LYS 588  65.469  -4.320   7.566
  374    HB3  LYS 588           HB1      LYS 588  64.412  -4.650   8.935
  375    HG2  LYS 588           HG2      LYS 588  64.971  -6.693   6.768
  376    HG3  LYS 588           HG1      LYS 588  65.942  -6.562   8.234
  377    HD2  LYS 588           HD2      LYS 588  64.434  -7.855   9.289
  378    HD3  LYS 588           HD1      LYS 588  63.264  -6.547   9.116
  379    HE2  LYS 588           HE2      LYS 588  62.474  -7.427   7.020
  380    HE3  LYS 588           HE1      LYS 588  63.782  -8.607   6.957
  381    HZ1  LYS 588           HZ1      LYS 588  61.670  -9.563   7.722
  382    HZ2  LYS 588           HZ2      LYS 588  61.687  -8.514   9.059
  383    HZ3  LYS 588           HZ3      LYS 588  62.895  -9.696   8.887
  384    H    GLU 589           HN       GLU 589  62.235  -3.930   9.249
  385    HA   GLU 589           HA       GLU 589  62.198  -1.052   8.602
  386    HB2  GLU 589           HB2      GLU 589  59.899  -0.762   8.550
  387    HB3  GLU 589           HB1      GLU 589  60.047  -2.331   7.759
  388    HG2  GLU 589           HG2      GLU 589  59.774  -3.340  10.118
  389    HG3  GLU 589           HG1      GLU 589  59.224  -1.736  10.605
  390    H    GLN 590           HN       GLN 590  61.753   0.278  10.402
  391    HA   GLN 590           HA       GLN 590  61.380  -0.898  13.060
  392    HB2  GLN 590           HB2      GLN 590  63.874  -1.082  12.523
  393    HB3  GLN 590           HB1      GLN 590  63.905   0.678  12.489
  394    HG2  GLN 590           HG2      GLN 590  64.539   0.079  14.701
  395    HG3  GLN 590           HG1      GLN 590  62.864   0.608  14.823
  396   HE21  GLN 590          HE21      GLN 590  64.031  -2.535  13.564
  397   HE22  GLN 590          HE22      GLN 590  63.266  -3.475  14.752
  398    H    ASN 591           HN       ASN 591  60.801   0.775  14.582
  399    HA   ASN 591           HA       ASN 591  59.764   2.798  15.151
  400    HB2  ASN 591           HB2      ASN 591  62.016   3.707  13.351
  401    HB3  ASN 591           HB1      ASN 591  60.945   4.848  14.157
  402   HD21  ASN 591          HD21      ASN 591  63.859   3.249  14.542
  403   HD22  ASN 591          HD22      ASN 591  63.973   3.298  16.235
  404    H    ASP 592           HN       ASP 592  58.983   1.315  12.524
  405    HA   ASP 592           HA       ASP 592  57.138   1.634  11.085
  406    HB2  ASP 592           HB2      ASP 592  56.590   3.500  12.919
  407    HB3  ASP 592           HB1      ASP 592  57.027   4.576  11.590
  408    H    LYS 593           HN       LYS 593  59.990   2.005  10.355
  409    HA   LYS 593           HA       LYS 593  59.484   3.428   7.808
  410    HB2  LYS 593           HB2      LYS 593  62.113   4.172   8.418
  411    HB3  LYS 593           HB1      LYS 593  60.702   5.225   8.411
  412    HG2  LYS 593           HG2      LYS 593  60.312   4.408  10.833
  413    HG3  LYS 593           HG1      LYS 593  61.967   3.811  10.754
  414    HD2  LYS 593           HD2      LYS 593  62.411   5.925  11.539
  415    HD3  LYS 593           HD1      LYS 593  62.395   6.285   9.813
  416    HE2  LYS 593           HE2      LYS 593  60.976   7.921  10.812
  417    HE3  LYS 593           HE1      LYS 593  59.887   6.742  10.082
  418    HZ1  LYS 593           HZ1      LYS 593  60.746   6.648  12.919
  419    HZ2  LYS 593           HZ2      LYS 593  59.529   5.721  12.180
  420    HZ3  LYS 593           HZ3      LYS 593  59.314   7.393  12.400
  421    HA   PRO 594           HA       PRO 594  61.637  -0.048   6.164
  422    HB2  PRO 594           HB2      PRO 594  62.756   1.115   3.939
  423    HB3  PRO 594           HB1      PRO 594  61.058   0.649   4.078
  424    HG2  PRO 594           HG2      PRO 594  62.296   3.351   4.265
  425    HG3  PRO 594           HG1      PRO 594  60.721   2.879   3.624
  426    HD2  PRO 594           HD2      PRO 594  61.096   4.057   6.108
  427    HD3  PRO 594           HD1      PRO 594  59.696   3.038   5.689
  428    H    TYR 595           HN       TYR 595  63.673  -0.970   5.857
  429    HA   TYR 595           HA       TYR 595  66.143   0.579   6.048
  430    HB2  TYR 595           HB2      TYR 595  65.222  -1.204   8.332
  431    HB3  TYR 595           HB1      TYR 595  66.890  -0.685   8.119
  432    HD1  TYR 595           HD1      TYR 595  67.144   1.957   7.687
  433    HD2  TYR 595           HD2      TYR 595  63.875   0.073   9.732
  434    HE1  TYR 595           HE1      TYR 595  66.621   4.098   8.827
  435    HE2  TYR 595           HE2      TYR 595  63.357   2.212  10.869
  436    HH   TYR 595           HH       TYR 595  64.900   5.200   9.960
  437    H    CYS 596           HN       CYS 596  67.546  -0.574   4.728
  438    HA   CYS 596           HA       CYS 596  66.899  -3.049   3.544
  439    HB2  CYS 596           HB2      CYS 596  69.790  -2.573   4.065
  440    HB3  CYS 596           HB1      CYS 596  68.972  -2.964   2.555
  441    H    GLN 597           HN       GLN 597  67.370  -5.198   4.103
  442    HA   GLN 597           HA       GLN 597  67.294  -5.959   6.797
  443    HB2  GLN 597           HB2      GLN 597  66.921  -7.828   5.540
  444    HB3  GLN 597           HB1      GLN 597  67.938  -7.241   4.230
  445    HG2  GLN 597           HG2      GLN 597  68.910  -9.274   5.190
  446    HG3  GLN 597           HG1      GLN 597  69.956  -7.897   5.519
  447   HE21  GLN 597          HE21      GLN 597  67.075  -7.872   7.422
  448   HE22  GLN 597          HE22      GLN 597  67.752  -8.482   8.853
  449    H    ASN 598           HN       ASN 598  70.076  -5.259   4.742
  450    HA   ASN 598           HA       ASN 598  72.098  -5.995   6.657
  451    HB2  ASN 598           HB2      ASN 598  72.632  -5.697   4.272
  452    HB3  ASN 598           HB1      ASN 598  72.185  -3.995   4.372
  453   HD21  ASN 598          HD21      ASN 598  74.527  -6.379   5.685
  454   HD22  ASN 598          HD22      ASN 598  75.734  -5.236   6.028
  455    H    CYS 599           HN       CYS 599  70.320  -3.016   5.947
  456    HA   CYS 599           HA       CYS 599  71.749  -1.357   7.840
  457    HB2  CYS 599           HB2      CYS 599  69.165  -1.150   6.327
  458    HB3  CYS 599           HB1      CYS 599  69.401  -0.091   7.712
  459    H    PHE 600           HN       PHE 600  68.466  -2.807   7.984
  460    HA   PHE 600           HA       PHE 600  67.895  -2.361  10.700
  461    HB2  PHE 600           HB2      PHE 600  66.228  -3.342   9.261
  462    HB3  PHE 600           HB1      PHE 600  67.266  -4.711   8.886
  463    HD1  PHE 600           HD1      PHE 600  64.894  -3.290  11.260
  464    HD2  PHE 600           HD2      PHE 600  67.766  -6.425  10.641
  465    HE1  PHE 600           HE1      PHE 600  63.923  -4.558  13.157
  466    HE2  PHE 600           HE2      PHE 600  66.798  -7.687  12.542
  467    HZ   PHE 600           HZ       PHE 600  64.875  -6.754  13.798
  468    H    LEU 601           HN       LEU 601  69.718  -4.998   9.200
  469    HA   LEU 601           HA       LEU 601  70.382  -6.449  11.565
  470    HB2  LEU 601           HB2      LEU 601  70.706  -7.355   9.314
  471    HB3  LEU 601           HB1      LEU 601  71.863  -6.084   8.941
  472    HG   LEU 601           HG       LEU 601  73.212  -6.982  10.956
  473   HD11  LEU 601          HD11      LEU 601  72.800  -9.378  11.441
  474   HD12  LEU 601          HD12      LEU 601  71.372  -9.333  10.407
  475   HD13  LEU 601          HD13      LEU 601  71.416  -8.383  11.892
  476   HD21  LEU 601          HD21      LEU 601  74.128  -7.319   8.813
  477   HD22  LEU 601          HD22      LEU 601  72.805  -8.370   8.311
  478   HD23  LEU 601          HD23      LEU 601  74.013  -8.957   9.457
  479    H    LYS 602           HN       LYS 602  71.549  -3.506  10.161
  480    HA   LYS 602           HA       LYS 602  73.944  -3.343  11.874
  481    HB2  LYS 602           HB2      LYS 602  73.315  -2.357   9.377
  482    HB3  LYS 602           HB1      LYS 602  73.081  -0.944  10.396
  483    HG2  LYS 602           HG2      LYS 602  75.358  -0.857   9.782
  484    HG3  LYS 602           HG1      LYS 602  75.368  -1.512  11.419
  485    HD2  LYS 602           HD2      LYS 602  76.841  -2.924  10.194
  486    HD3  LYS 602           HD1      LYS 602  75.337  -3.837  10.314
  487    HE2  LYS 602           HE2      LYS 602  74.779  -3.467   8.073
  488    HE3  LYS 602           HE1      LYS 602  75.794  -2.030   7.953
  489    HZ1  LYS 602           HZ1      LYS 602  77.737  -3.539   8.257
  490    HZ2  LYS 602           HZ2      LYS 602  76.885  -3.772   6.806
  491    HZ3  LYS 602           HZ3      LYS 602  76.681  -4.856   8.098
  492    H    LEU 603           HN       LEU 603  70.738  -1.847  11.570
  493    HA   LEU 603           HA       LEU 603  71.248  -0.010  13.802
  494    HB2  LEU 603           HB2      LEU 603  68.512  -0.539  12.676
  495    HB3  LEU 603           HB1      LEU 603  69.183   0.961  13.297
  496    HG   LEU 603           HG       LEU 603  69.849  -0.375  10.670
  497   HD11  LEU 603          HD11      LEU 603  68.940   1.689   9.708
  498   HD12  LEU 603          HD12      LEU 603  68.637   2.320  11.326
  499   HD13  LEU 603          HD13      LEU 603  67.741   0.917  10.745
  500   HD21  LEU 603          HD21      LEU 603  71.301   1.657  10.313
  501   HD22  LEU 603          HD22      LEU 603  71.912   0.549  11.540
  502   HD23  LEU 603          HD23      LEU 603  71.093   2.035  12.023
  503    H    PHE 604           HN       PHE 604  68.864  -2.601  13.203
  504    HA   PHE 604           HA       PHE 604  68.081  -2.762  15.975
  505    HB2  PHE 604           HB2      PHE 604  66.792  -3.513  13.844
  506    HB3  PHE 604           HB1      PHE 604  67.722  -5.002  13.997
  507    HD1  PHE 604           HD1      PHE 604  67.038  -6.683  15.499
  508    HD2  PHE 604           HD2      PHE 604  65.512  -2.692  15.943
  509    HE1  PHE 604           HE1      PHE 604  65.483  -7.473  17.261
  510    HE2  PHE 604           HE2      PHE 604  63.956  -3.483  17.704
  511    HZ   PHE 604           HZ       PHE 604  63.942  -5.873  18.363
  512    H    CYS 605           HN       CYS 605  70.688  -4.121  14.150
  513    HA   CYS 605           HA       CYS 605  71.538  -5.615  16.579
  514    HB2  CYS 605           HB2      CYS 605  70.320  -7.079  14.767
  515    HB3  CYS 605           HB1      CYS 605  71.844  -6.933  13.893
  516    HG   CYS 605           HG       CYS 605  72.947  -7.859  16.249
  Start of MODEL    9
    1    H    TYR 541           HT1      TYR 541  44.790   5.044 -12.653
    2    HA   TYR 541           HA       TYR 541  46.010   7.074 -11.840
    3    HB2  TYR 541           HB2      TYR 541  43.375   8.433 -12.429
    4    HB3  TYR 541           HB1      TYR 541  44.890   9.170 -11.907
    5    HD1  TYR 541           HD1      TYR 541  42.894   8.133 -14.731
    6    HD2  TYR 541           HD2      TYR 541  46.894   9.098 -13.491
    7    HE1  TYR 541           HE1      TYR 541  43.550   8.465 -17.100
    8    HE2  TYR 541           HE2      TYR 541  47.547   9.430 -15.860
    9    HH   TYR 541           HH       TYR 541  45.855  10.085 -18.157
   10    H    HIS 542           HN       HIS 542  42.581   6.139 -11.724
   11    HA   HIS 542           HA       HIS 542  42.325   6.601  -8.875
   12    HB2  HIS 542           HB2      HIS 542  40.616   4.804 -10.616
   13    HB3  HIS 542           HB1      HIS 542  40.157   5.573  -9.100
   14    HD1  HIS 542           HD1      HIS 542  40.544   6.235 -12.748
   15    HD2  HIS 542           HD2      HIS 542  39.705   8.416  -9.296
   16    HE1  HIS 542           HE1      HIS 542  39.696   8.493 -13.517
   17    H    GLU 543           HN       GLU 543  41.679   4.690  -7.412
   18    HA   GLU 543           HA       GLU 543  43.856   2.761  -7.430
   19    HB2  GLU 543           HB2      GLU 543  41.466   3.231  -5.652
   20    HB3  GLU 543           HB1      GLU 543  42.506   1.823  -5.432
   21    HG2  GLU 543           HG2      GLU 543  44.204   4.089  -5.756
   22    HG3  GLU 543           HG1      GLU 543  42.968   4.520  -4.580
   23    H    ARG 544           HN       ARG 544  43.038   0.353  -6.834
   24    HA   ARG 544           HA       ARG 544  41.958  -1.605  -7.549
   25    HB2  ARG 544           HB2      ARG 544  39.913   0.148  -7.551
   26    HB3  ARG 544           HB1      ARG 544  40.016  -0.155  -9.282
   27    HG2  ARG 544           HG2      ARG 544  38.552  -1.839  -8.575
   28    HG3  ARG 544           HG1      ARG 544  40.106  -2.674  -8.586
   29    HD2  ARG 544           HD2      ARG 544  39.815  -3.150  -6.406
   30    HD3  ARG 544           HD1      ARG 544  39.907  -1.423  -6.061
   31    HE   ARG 544           HE       ARG 544  37.281  -1.804  -6.873
   32   HH11  ARG 544          HH11      ARG 544  35.616  -2.289  -5.435
   33   HH12  ARG 544          HH12      ARG 544  35.985  -3.054  -3.926
   34   HH21  ARG 544          HH21      ARG 544  39.395  -3.180  -4.516
   35   HH22  ARG 544          HH22      ARG 544  38.121  -3.558  -3.406
   36    H    ARG 545           HN       ARG 545  42.967   0.882  -9.743
   37    HA   ARG 545           HA       ARG 545  42.936  -0.843 -12.114
   38    HB2  ARG 545           HB2      ARG 545  44.393   1.786 -11.740
   39    HB3  ARG 545           HB1      ARG 545  43.915   1.031 -13.261
   40    HG2  ARG 545           HG2      ARG 545  41.507   1.176 -12.379
   41    HG3  ARG 545           HG1      ARG 545  42.143   2.278 -11.160
   42    HD2  ARG 545           HD2      ARG 545  43.154   3.619 -13.059
   43    HD3  ARG 545           HD1      ARG 545  42.220   2.620 -14.168
   44    HE   ARG 545           HE       ARG 545  41.238   4.878 -12.733
   45   HH11  ARG 545          HH11      ARG 545  39.079   5.193 -12.213
   46   HH12  ARG 545          HH12      ARG 545  37.969   3.869 -12.329
   47   HH21  ARG 545          HH21      ARG 545  40.350   1.607 -13.407
   48   HH22  ARG 545          HH22      ARG 545  38.688   1.847 -12.993
   49    H    GLY 546           HN       GLY 546  44.911  -0.550  -9.402
   50    HA2  GLY 546           HA2      GLY 546  46.799  -2.476 -10.194
   51    HA3  GLY 546           HA1      GLY 546  47.510  -0.906 -10.577
   52    H    SER 547           HN       SER 547  48.248   0.391  -8.903
   53    HA   SER 547           HA       SER 547  47.526   0.030  -6.136
   54    HB2  SER 547           HB2      SER 547  49.657  -1.657  -7.202
   55    HB3  SER 547           HB1      SER 547  50.233  -0.630  -5.893
   56    HG   SER 547           HG       SER 547  47.912  -2.273  -5.828
   57    H    LEU 548           HN       LEU 548  47.752   2.102  -5.430
   58    HA   LEU 548           HA       LEU 548  49.431   4.007  -6.811
   59    HB2  LEU 548           HB2      LEU 548  47.692   4.074  -4.371
   60    HB3  LEU 548           HB1      LEU 548  48.848   5.376  -4.624
   61    HG   LEU 548           HG       LEU 548  47.892   5.893  -6.790
   62   HD11  LEU 548          HD11      LEU 548  46.305   3.376  -6.304
   63   HD12  LEU 548          HD12      LEU 548  47.287   3.803  -7.703
   64   HD13  LEU 548          HD13      LEU 548  45.744   4.609  -7.432
   65   HD21  LEU 548          HD21      LEU 548  46.774   6.905  -4.860
   66   HD22  LEU 548          HD22      LEU 548  45.749   5.481  -4.681
   67   HD23  LEU 548          HD23      LEU 548  45.580   6.517  -6.098
   68    H    CYS 549           HN       CYS 549  51.456   4.732  -6.273
   69    HA   CYS 549           HA       CYS 549  53.035   3.137  -4.405
   70    HB2  CYS 549           HB2      CYS 549  54.418   3.768  -6.131
   71    HB3  CYS 549           HB1      CYS 549  53.545   5.268  -6.422
   72    H    SER 550           HN       SER 550  52.768   3.557  -2.258
   73    HA   SER 550           HA       SER 550  51.617   5.862  -1.155
   74    HB2  SER 550           HB2      SER 550  53.772   4.135   0.093
   75    HB3  SER 550           HB1      SER 550  52.723   5.245   0.966
   76    HG   SER 550           HG       SER 550  52.126   2.817  -0.320
   77    H    GLY 551           HN       GLY 551  52.282   7.867  -1.511
   78    HA2  GLY 551           HA2      GLY 551  54.083   9.542  -0.847
   79    HA3  GLY 551           HA1      GLY 551  55.217   8.445  -1.650
   80    H    CYS 552           HN       CYS 552  53.265   7.738  -3.733
   81    HA   CYS 552           HA       CYS 552  53.494  10.211  -5.401
   82    HB2  CYS 552           HB2      CYS 552  53.654   7.282  -5.954
   83    HB3  CYS 552           HB1      CYS 552  52.959   8.307  -7.208
   84    H    GLN 553           HN       GLN 553  51.291   7.785  -4.157
   85    HA   GLN 553           HA       GLN 553  48.960   7.621  -4.224
   86    HB2  GLN 553           HB2      GLN 553  49.275  10.575  -4.852
   87    HB3  GLN 553           HB1      GLN 553  47.722   9.797  -4.557
   88    HG2  GLN 553           HG2      GLN 553  48.354  10.659  -2.444
   89    HG3  GLN 553           HG1      GLN 553  48.760   8.948  -2.356
   90   HE21  GLN 553          HE21      GLN 553  50.655   8.892  -1.110
   91   HE22  GLN 553          HE22      GLN 553  52.037   9.826  -1.421
   92    H    LYS 554           HN       LYS 554  50.617   7.152  -6.617
   93    HA   LYS 554           HA       LYS 554  48.457   7.380  -8.659
   94    HB2  LYS 554           HB2      LYS 554  51.421   7.903  -9.076
   95    HB3  LYS 554           HB1      LYS 554  50.252   7.732 -10.385
   96    HG2  LYS 554           HG2      LYS 554  50.010   9.787  -8.170
   97    HG3  LYS 554           HG1      LYS 554  50.727  10.123  -9.745
   98    HD2  LYS 554           HD2      LYS 554  48.509   9.191 -10.718
   99    HD3  LYS 554           HD1      LYS 554  47.867   9.425  -9.093
  100    HE2  LYS 554           HE2      LYS 554  49.245  11.606 -10.682
  101    HE3  LYS 554           HE1      LYS 554  47.496  11.389 -10.628
  102    HZ1  LYS 554           HZ1      LYS 554  47.381  12.055  -8.474
  103    HZ2  LYS 554           HZ2      LYS 554  48.745  12.954  -8.943
  104    HZ3  LYS 554           HZ3      LYS 554  48.936  11.500  -8.085
  105    HA   PRO 555           HA       PRO 555  48.850   2.993  -8.907
  106    HB2  PRO 555           HB2      PRO 555  48.890   3.277 -11.839
  107    HB3  PRO 555           HB1      PRO 555  47.751   2.410 -10.801
  108    HG2  PRO 555           HG2      PRO 555  47.255   4.842 -12.062
  109    HG3  PRO 555           HG1      PRO 555  46.334   4.193 -10.703
  110    HD2  PRO 555           HD2      PRO 555  48.120   6.496 -10.741
  111    HD3  PRO 555           HD1      PRO 555  47.074   5.927  -9.416
  112    H    ILE 556           HN       ILE 556  50.354   1.376  -9.412
  113    HA   ILE 556           HA       ILE 556  53.028   2.383 -10.262
  114    HB   ILE 556           HB       ILE 556  52.165   0.033  -8.554
  115   HG12  ILE 556          HG12      ILE 556  54.009   2.281  -7.759
  116   HG13  ILE 556          HG11      ILE 556  52.265   2.521  -7.720
  117   HG21  ILE 556          HG21      ILE 556  54.871   0.816  -9.660
  118   HG22  ILE 556          HG22      ILE 556  54.073  -0.753  -9.745
  119   HG23  ILE 556          HG23      ILE 556  54.710  -0.170  -8.207
  120   HD11  ILE 556          HD11      ILE 556  52.561   0.068  -6.477
  121   HD12  ILE 556          HD12      ILE 556  52.356   1.611  -5.649
  122   HD13  ILE 556          HD13      ILE 556  53.973   0.962  -5.915
  123    H    THR 557           HN       THR 557  52.889   2.095 -12.500
  124    HA   THR 557           HA       THR 557  51.845  -0.390 -13.638
  125    HB   THR 557           HB       THR 557  52.639   0.637 -15.804
  126    HG1  THR 557           HG1      THR 557  54.331   1.868 -15.029
  127   HG21  THR 557          HG21      THR 557  51.075   2.683 -15.552
  128   HG22  THR 557          HG22      THR 557  50.833   2.124 -13.897
  129   HG23  THR 557          HG23      THR 557  50.387   1.088 -15.253
  130    H    GLY 558           HN       GLY 558  53.132  -2.109 -13.065
  131    HA2  GLY 558           HA2      GLY 558  55.086  -3.312 -14.229
  132    HA3  GLY 558           HA1      GLY 558  56.053  -1.943 -13.670
  133    H    ARG 559           HN       ARG 559  57.358  -3.269 -12.279
  134    HA   ARG 559           HA       ARG 559  56.286  -5.077 -10.335
  135    HB2  ARG 559           HB2      ARG 559  58.878  -3.595 -10.663
  136    HB3  ARG 559           HB1      ARG 559  58.540  -4.376  -9.119
  137    HG2  ARG 559           HG2      ARG 559  58.000  -6.012 -11.532
  138    HG3  ARG 559           HG1      ARG 559  59.694  -5.658 -11.215
  139    HD2  ARG 559           HD2      ARG 559  59.658  -6.715  -9.120
  140    HD3  ARG 559           HD1      ARG 559  57.905  -6.629  -8.988
  141    HE   ARG 559           HE       ARG 559  59.398  -8.810 -10.065
  142   HH11  ARG 559          HH11      ARG 559  58.553 -10.304 -11.502
  143   HH12  ARG 559          HH12      ARG 559  57.080  -9.950 -12.340
  144   HH21  ARG 559          HH21      ARG 559  56.666  -6.849 -10.866
  145   HH22  ARG 559          HH22      ARG 559  56.018  -8.000 -11.985
  146    H    CYS 560           HN       CYS 560  56.209  -4.651  -7.948
  147    HA   CYS 560           HA       CYS 560  55.968  -1.837  -7.138
  148    HB2  CYS 560           HB2      CYS 560  53.642  -1.945  -6.503
  149    HB3  CYS 560           HB1      CYS 560  53.757  -2.423  -8.195
  150    HG   CYS 560           HG       CYS 560  53.923  -4.890  -6.496
  151    H    ILE 561           HN       ILE 561  56.395  -1.604  -5.006
  152    HA   ILE 561           HA       ILE 561  57.009  -4.052  -3.466
  153    HB   ILE 561           HB       ILE 561  57.334  -1.253  -2.408
  154   HG12  ILE 561          HG12      ILE 561  58.224  -1.250  -4.742
  155   HG13  ILE 561          HG11      ILE 561  59.499  -1.070  -3.544
  156   HG21  ILE 561          HG21      ILE 561  57.999  -2.779  -0.796
  157   HG22  ILE 561          HG22      ILE 561  59.523  -2.532  -1.650
  158   HG23  ILE 561          HG23      ILE 561  58.547  -3.959  -1.987
  159   HD11  ILE 561          HD11      ILE 561  60.137  -2.696  -5.293
  160   HD12  ILE 561          HD12      ILE 561  58.725  -3.674  -4.894
  161   HD13  ILE 561          HD13      ILE 561  60.020  -3.471  -3.713
  162    H    THR 562           HN       THR 562  56.071  -4.450  -1.388
  163    HA   THR 562           HA       THR 562  53.602  -2.878  -0.783
  164    HB   THR 562           HB       THR 562  53.908  -5.894  -0.636
  165    HG1  THR 562           HG1      THR 562  53.592  -4.886  -2.740
  166   HG21  THR 562          HG21      THR 562  51.754  -3.973   0.229
  167   HG22  THR 562          HG22      THR 562  52.456  -5.322   1.124
  168   HG23  THR 562          HG23      THR 562  51.354  -5.632  -0.218
  169    H    ALA 563           HN       ALA 563  54.233  -1.829   1.042
  170    HA   ALA 563           HA       ALA 563  55.906  -3.216   3.043
  171    HB1  ALA 563           HB1      ALA 563  56.300  -0.815   2.375
  172    HB2  ALA 563           HB2      ALA 563  56.092  -1.055   4.110
  173    HB3  ALA 563           HB3      ALA 563  54.764  -0.412   3.143
  174    H    MET 564           HN       MET 564  54.230  -1.207   4.906
  175    HA   MET 564           HA       MET 564  52.620  -3.311   6.096
  176    HB2  MET 564           HB2      MET 564  52.701  -0.321   6.586
  177    HB3  MET 564           HB1      MET 564  51.827  -1.473   7.592
  178    HG2  MET 564           HG2      MET 564  53.972  -2.671   8.026
  179    HG3  MET 564           HG1      MET 564  54.820  -1.428   7.105
  180    HE1  MET 564           HE1      MET 564  55.103  -1.322  11.209
  181    HE2  MET 564           HE2      MET 564  56.170  -1.452   9.814
  182    HE3  MET 564           HE3      MET 564  54.897  -2.645  10.054
  183    H    ALA 565           HN       ALA 565  51.688  -3.456   3.719
  184    HA   ALA 565           HA       ALA 565  49.638  -3.480   2.553
  185    HB1  ALA 565           HB1      ALA 565  48.429  -1.344   4.262
  186    HB2  ALA 565           HB2      ALA 565  48.725  -2.913   5.012
  187    HB3  ALA 565           HB3      ALA 565  47.689  -2.797   3.590
  188    H    LYS 566           HN       LYS 566  51.620  -0.849   3.258
  189    HA   LYS 566           HA       LYS 566  50.370   0.990   1.312
  190    HB2  LYS 566           HB2      LYS 566  52.461   1.148   3.399
  191    HB3  LYS 566           HB1      LYS 566  52.785   2.108   1.956
  192    HG2  LYS 566           HG2      LYS 566  50.514   3.120   2.158
  193    HG3  LYS 566           HG1      LYS 566  50.277   2.222   3.658
  194    HD2  LYS 566           HD2      LYS 566  52.587   4.130   3.205
  195    HD3  LYS 566           HD1      LYS 566  51.073   4.601   3.977
  196    HE2  LYS 566           HE2      LYS 566  52.083   3.946   5.904
  197    HE3  LYS 566           HE1      LYS 566  51.710   2.311   5.357
  198    HZ1  LYS 566           HZ1      LYS 566  54.238   3.810   4.954
  199    HZ2  LYS 566           HZ2      LYS 566  53.882   2.345   4.172
  200    HZ3  LYS 566           HZ3      LYS 566  54.012   2.397   5.865
  201    H    LYS 567           HN       LYS 567  51.077   1.171  -0.789
  202    HA   LYS 567           HA       LYS 567  53.216  -0.685  -1.646
  203    HB2  LYS 567           HB2      LYS 567  51.013   0.801  -3.053
  204    HB3  LYS 567           HB1      LYS 567  52.378   0.164  -3.970
  205    HG2  LYS 567           HG2      LYS 567  50.473  -1.443  -3.848
  206    HG3  LYS 567           HG1      LYS 567  51.950  -2.083  -3.127
  207    HD2  LYS 567           HD2      LYS 567  51.158  -1.785  -0.927
  208    HD3  LYS 567           HD1      LYS 567  49.921  -0.631  -1.434
  209    HE2  LYS 567           HE2      LYS 567  48.517  -2.297  -2.278
  210    HE3  LYS 567           HE1      LYS 567  49.839  -3.447  -2.471
  211    HZ1  LYS 567           HZ1      LYS 567  48.174  -3.651  -0.490
  212    HZ2  LYS 567           HZ2      LYS 567  49.189  -2.489   0.223
  213    HZ3  LYS 567           HZ3      LYS 567  49.822  -3.988  -0.268
  214    H    PHE 568           HN       PHE 568  54.655   0.203  -3.455
  215    HA   PHE 568           HA       PHE 568  55.270   3.084  -3.327
  216    HB2  PHE 568           HB2      PHE 568  57.123   0.959  -2.200
  217    HB3  PHE 568           HB1      PHE 568  57.688   2.551  -2.688
  218    HD1  PHE 568           HD1      PHE 568  55.769   0.641  -0.211
  219    HD2  PHE 568           HD2      PHE 568  57.002   4.568  -1.441
  220    HE1  PHE 568           HE1      PHE 568  55.122   1.538   2.008
  221    HE2  PHE 568           HE2      PHE 568  56.350   5.466   0.777
  222    HZ   PHE 568           HZ       PHE 568  55.412   3.951   2.502
  223    H    HIS 569           HN       HIS 569  56.263   3.681  -5.276
  224    HA   HIS 569           HA       HIS 569  56.447   1.817  -7.430
  225    HB2  HIS 569           HB2      HIS 569  57.665   4.536  -6.935
  226    HB3  HIS 569           HB1      HIS 569  58.144   3.602  -8.348
  227    HD2  HIS 569           HD2      HIS 569  55.634   2.750  -9.887
  228    HE1  HIS 569           HE1      HIS 569  53.720   6.358  -8.812
  229    HE2  HIS 569           HE2      HIS 569  53.651   4.360 -10.389
  230    HA   PRO 570           HA       PRO 570  59.961  -0.577  -6.112
  231    HB2  PRO 570           HB2      PRO 570  60.743  -0.580  -8.969
  232    HB3  PRO 570           HB1      PRO 570  60.396  -1.938  -7.891
  233    HG2  PRO 570           HG2      PRO 570  58.685  -1.087  -9.868
  234    HG3  PRO 570           HG1      PRO 570  58.178  -1.966  -8.425
  235    HD2  PRO 570           HD2      PRO 570  57.715   0.857  -9.128
  236    HD3  PRO 570           HD1      PRO 570  56.908  -0.144  -7.895
  237    H    GLU 571           HN       GLU 571  60.148   2.443  -7.667
  238    HA   GLU 571           HA       GLU 571  63.087   2.640  -7.158
  239    HB2  GLU 571           HB2      GLU 571  63.049   4.556  -8.719
  240    HB3  GLU 571           HB1      GLU 571  62.442   3.092  -9.495
  241    HG2  GLU 571           HG2      GLU 571  60.148   3.801  -9.181
  242    HG3  GLU 571           HG1      GLU 571  60.659   5.181  -8.215
  243    H    HIS 572           HN       HIS 572  59.978   3.681  -6.107
  244    HA   HIS 572           HA       HIS 572  61.121   6.073  -4.751
  245    HB2  HIS 572           HB2      HIS 572  58.249   5.138  -5.061
  246    HB3  HIS 572           HB1      HIS 572  58.737   6.576  -4.166
  247    HD2  HIS 572           HD2      HIS 572  61.159   7.126  -6.665
  248    HE1  HIS 572           HE1      HIS 572  57.691   8.134  -8.841
  249    HE2  HIS 572           HE2      HIS 572  60.224   8.309  -8.779
  250    H    PHE 573           HN       PHE 573  60.398   2.809  -4.175
  251    HA   PHE 573           HA       PHE 573  59.805   3.039  -1.330
  252    HB2  PHE 573           HB2      PHE 573  59.133   1.048  -2.690
  253    HB3  PHE 573           HB1      PHE 573  60.836   0.669  -2.925
  254    HD1  PHE 573           HD1      PHE 573  61.605  -1.058  -1.571
  255    HD2  PHE 573           HD2      PHE 573  58.678   1.669  -0.007
  256    HE1  PHE 573           HE1      PHE 573  61.642  -2.261   0.596
  257    HE2  PHE 573           HE2      PHE 573  58.714   0.465   2.159
  258    HZ   PHE 573           HZ       PHE 573  60.195  -1.500   2.461
  259    H    VAL 574           HN       VAL 574  61.520   4.396  -0.611
  260    HA   VAL 574           HA       VAL 574  64.257   3.236  -0.823
  261    HB   VAL 574           HB       VAL 574  65.064   5.487  -0.232
  262   HG11  VAL 574          HG11      VAL 574  64.070   4.696  -2.632
  263   HG12  VAL 574          HG12      VAL 574  64.829   6.266  -2.370
  264   HG13  VAL 574          HG13      VAL 574  63.072   6.121  -2.341
  265   HG21  VAL 574          HG21      VAL 574  63.386   7.350  -0.131
  266   HG22  VAL 574          HG22      VAL 574  63.230   6.213   1.208
  267   HG23  VAL 574          HG23      VAL 574  62.099   6.144  -0.144
  268    H    CYS 575           HN       CYS 575  65.646   3.803   1.173
  269    HA   CYS 575           HA       CYS 575  64.407   2.558   3.497
  270    HB2  CYS 575           HB2      CYS 575  66.702   2.033   3.058
  271    HB3  CYS 575           HB1      CYS 575  67.141   3.733   2.951
  272    H    ALA 576           HN       ALA 576  63.522   3.603   5.234
  273    HA   ALA 576           HA       ALA 576  63.218   6.491   5.194
  274    HB1  ALA 576           HB1      ALA 576  62.208   6.082   7.503
  275    HB2  ALA 576           HB2      ALA 576  62.542   4.370   7.246
  276    HB3  ALA 576           HB3      ALA 576  61.437   5.224   6.170
  277    H    PHE 577           HN       PHE 577  65.954   5.839   5.162
  278    HA   PHE 577           HA       PHE 577  66.864   7.198   7.631
  279    HB2  PHE 577           HB2      PHE 577  67.059   4.565   7.733
  280    HB3  PHE 577           HB1      PHE 577  68.432   4.821   6.662
  281    HD1  PHE 577           HD1      PHE 577  70.520   5.199   7.625
  282    HD2  PHE 577           HD2      PHE 577  66.981   6.218   9.838
  283    HE1  PHE 577           HE1      PHE 577  71.919   5.838   9.570
  284    HE2  PHE 577           HE2      PHE 577  68.381   6.856  11.782
  285    HZ   PHE 577           HZ       PHE 577  70.850   6.666  11.648
  286    H    CYS 578           HN       CYS 578  68.219   5.530   4.783
  287    HA   CYS 578           HA       CYS 578  69.930   7.907   4.256
  288    HB2  CYS 578           HB2      CYS 578  70.899   6.297   2.478
  289    HB3  CYS 578           HB1      CYS 578  71.211   5.914   4.169
  290    H    LEU 579           HN       LEU 579  67.091   6.306   3.163
  291    HA   LEU 579           HA       LEU 579  65.633   6.696   1.381
  292    HB2  LEU 579           HB2      LEU 579  66.956   9.427   1.470
  293    HB3  LEU 579           HB1      LEU 579  65.429   9.052   0.673
  294    HG   LEU 579           HG       LEU 579  65.012   8.032   3.197
  295   HD11  LEU 579          HD11      LEU 579  66.431  10.680   3.568
  296   HD12  LEU 579          HD12      LEU 579  67.212   9.126   3.855
  297   HD13  LEU 579          HD13      LEU 579  65.816   9.602   4.821
  298   HD21  LEU 579          HD21      LEU 579  63.630  10.082   3.535
  299   HD22  LEU 579          HD22      LEU 579  63.426   9.396   1.923
  300   HD23  LEU 579          HD23      LEU 579  64.435  10.824   2.152
  301    H    LYS 580           HN       LYS 580  68.563   5.885   0.830
  302    HA   LYS 580           HA       LYS 580  69.204   7.034  -1.756
  303    HB2  LYS 580           HB2      LYS 580  70.877   5.224  -1.895
  304    HB3  LYS 580           HB1      LYS 580  70.933   6.005  -0.315
  305    HG2  LYS 580           HG2      LYS 580  69.281   4.138   0.429
  306    HG3  LYS 580           HG1      LYS 580  69.797   3.305  -1.036
  307    HD2  LYS 580           HD2      LYS 580  72.156   4.249   0.231
  308    HD3  LYS 580           HD1      LYS 580  71.162   3.512   1.488
  309    HE2  LYS 580           HE2      LYS 580  72.547   1.779   0.516
  310    HE3  LYS 580           HE1      LYS 580  70.882   1.505   0.003
  311    HZ1  LYS 580           HZ1      LYS 580  72.198   3.252  -1.795
  312    HZ2  LYS 580           HZ2      LYS 580  71.474   1.746  -2.103
  313    HZ3  LYS 580           HZ3      LYS 580  73.099   1.826  -1.615
  314    H    GLN 581           HN       GLN 581  67.938   3.847  -0.768
  315    HA   GLN 581           HA       GLN 581  65.948   3.673  -2.778
  316    HB2  GLN 581           HB2      GLN 581  68.491   3.304  -3.881
  317    HB3  GLN 581           HB1      GLN 581  67.911   1.665  -3.609
  318    HG2  GLN 581           HG2      GLN 581  65.782   3.295  -4.688
  319    HG3  GLN 581           HG1      GLN 581  67.203   3.399  -5.726
  320   HE21  GLN 581          HE21      GLN 581  64.746   1.217  -4.458
  321   HE22  GLN 581          HE22      GLN 581  65.128  -0.095  -5.464
  322    H    LEU 582           HN       LEU 582  64.957   1.455  -2.726
  323    HA   LEU 582           HA       LEU 582  66.051  -0.425  -0.772
  324    HB2  LEU 582           HB2      LEU 582  64.734   1.549   0.409
  325    HB3  LEU 582           HB1      LEU 582  63.328   0.601  -0.066
  326    HG   LEU 582           HG       LEU 582  64.461  -1.399   0.992
  327   HD11  LEU 582          HD11      LEU 582  66.522   0.623   1.350
  328   HD12  LEU 582          HD12      LEU 582  66.629  -1.126   1.541
  329   HD13  LEU 582          HD13      LEU 582  66.071  -0.124   2.880
  330   HD21  LEU 582          HD21      LEU 582  62.763  -0.636   2.350
  331   HD22  LEU 582          HD22      LEU 582  63.407   1.004   2.405
  332   HD23  LEU 582          HD23      LEU 582  64.127  -0.260   3.402
  333    H    ASN 583           HN       ASN 583  64.815  -2.405  -0.655
  334    HA   ASN 583           HA       ASN 583  62.614  -2.746  -2.600
  335    HB2  ASN 583           HB2      ASN 583  63.740  -4.672  -3.662
  336    HB3  ASN 583           HB1      ASN 583  64.667  -3.193  -3.902
  337   HD21  ASN 583          HD21      ASN 583  66.501  -2.842  -2.247
  338   HD22  ASN 583          HD22      ASN 583  67.314  -4.217  -1.675
  339    H    LYS 584           HN       LYS 584  61.105  -4.066  -1.699
  340    HA   LYS 584           HA       LYS 584  61.234  -5.079   0.918
  341    HB2  LYS 584           HB2      LYS 584  59.082  -4.947  -0.043
  342    HB3  LYS 584           HB1      LYS 584  59.578  -5.814  -1.492
  343    HG2  LYS 584           HG2      LYS 584  58.221  -7.305  -0.148
  344    HG3  LYS 584           HG1      LYS 584  59.887  -7.874  -0.081
  345    HD2  LYS 584           HD2      LYS 584  58.955  -7.915   2.166
  346    HD3  LYS 584           HD1      LYS 584  60.168  -6.640   2.081
  347    HE2  LYS 584           HE2      LYS 584  58.587  -4.939   2.156
  348    HE3  LYS 584           HE1      LYS 584  57.319  -5.948   1.460
  349    HZ1  LYS 584           HZ1      LYS 584  58.012  -7.180   3.812
  350    HZ2  LYS 584           HZ2      LYS 584  56.611  -6.263   3.523
  351    HZ3  LYS 584           HZ3      LYS 584  57.988  -5.528   4.193
  352    H    GLY 585           HN       GLY 585  62.450  -6.445  -2.048
  353    HA2  GLY 585           HA2      GLY 585  62.684  -9.169  -1.355
  354    HA3  GLY 585           HA1      GLY 585  63.767  -8.330  -2.458
  355    H    THR 586           HN       THR 586  64.690  -6.428  -0.342
  356    HA   THR 586           HA       THR 586  66.033  -8.264   1.570
  357    HB   THR 586           HB       THR 586  68.269  -7.400   0.970
  358    HG1  THR 586           HG1      THR 586  66.881  -6.170  -1.177
  359   HG21  THR 586          HG21      THR 586  68.527  -8.615  -1.121
  360   HG22  THR 586          HG22      THR 586  66.800  -8.481  -1.453
  361   HG23  THR 586          HG23      THR 586  67.365  -9.471  -0.107
  362    H    PHE 587           HN       PHE 587  64.081  -6.051   1.901
  363    HA   PHE 587           HA       PHE 587  65.799  -4.010   3.229
  364    HB2  PHE 587           HB2      PHE 587  64.138  -2.484   2.901
  365    HB3  PHE 587           HB1      PHE 587  63.595  -3.609   1.672
  366    HD1  PHE 587           HD1      PHE 587  62.411  -1.656   4.214
  367    HD2  PHE 587           HD2      PHE 587  62.257  -5.746   2.907
  368    HE1  PHE 587           HE1      PHE 587  60.292  -1.975   5.459
  369    HE2  PHE 587           HE2      PHE 587  60.139  -6.063   4.156
  370    HZ   PHE 587           HZ       PHE 587  59.156  -4.178   5.431
  371    H    LYS 588           HN       LYS 588  64.603  -3.137   5.274
  372    HA   LYS 588           HA       LYS 588  63.487  -5.307   6.954
  373    HB2  LYS 588           HB2      LYS 588  66.030  -3.759   7.470
  374    HB3  LYS 588           HB1      LYS 588  65.074  -4.378   8.813
  375    HG2  LYS 588           HG2      LYS 588  66.010  -6.130   6.525
  376    HG3  LYS 588           HG1      LYS 588  66.949  -5.898   7.998
  377    HD2  LYS 588           HD2      LYS 588  65.739  -7.527   8.969
  378    HD3  LYS 588           HD1      LYS 588  64.326  -6.478   8.863
  379    HE2  LYS 588           HE2      LYS 588  63.725  -7.376   6.712
  380    HE3  LYS 588           HE1      LYS 588  65.246  -8.259   6.593
  381    HZ1  LYS 588           HZ1      LYS 588  63.299  -8.722   8.775
  382    HZ2  LYS 588           HZ2      LYS 588  64.613  -9.698   8.319
  383    HZ3  LYS 588           HZ3      LYS 588  63.248  -9.581   7.314
  384    H    GLU 589           HN       GLU 589  62.602  -4.223   9.051
  385    HA   GLU 589           HA       GLU 589  61.999  -1.352   8.571
  386    HB2  GLU 589           HB2      GLU 589  59.695  -1.606   8.671
  387    HB3  GLU 589           HB1      GLU 589  60.153  -3.076   7.811
  388    HG2  GLU 589           HG2      GLU 589  60.326  -4.099  10.229
  389    HG3  GLU 589           HG1      GLU 589  59.286  -2.744  10.671
  390    H    GLN 590           HN       GLN 590  61.519  -0.164  10.429
  391    HA   GLN 590           HA       GLN 590  61.535  -1.459  13.064
  392    HB2  GLN 590           HB2      GLN 590  63.976  -1.098  12.333
  393    HB3  GLN 590           HB1      GLN 590  63.636   0.626  12.437
  394    HG2  GLN 590           HG2      GLN 590  64.548   0.028  14.554
  395    HG3  GLN 590           HG1      GLN 590  62.813   0.188  14.816
  396   HE21  GLN 590          HE21      GLN 590  64.476  -2.561  13.236
  397   HE22  GLN 590          HE22      GLN 590  64.015  -3.712  14.396
  398    H    ASN 591           HN       ASN 591  60.644  -0.043  14.643
  399    HA   ASN 591           HA       ASN 591  59.253   1.703  15.352
  400    HB2  ASN 591           HB2      ASN 591  61.287   3.114  13.626
  401    HB3  ASN 591           HB1      ASN 591  60.007   4.002  14.445
  402   HD21  ASN 591          HD21      ASN 591  63.165   2.979  14.844
  403   HD22  ASN 591          HD22      ASN 591  63.239   2.978  16.539
  404    H    ASP 592           HN       ASP 592  58.656   0.247  12.692
  405    HA   ASP 592           HA       ASP 592  56.766   0.317  11.279
  406    HB2  ASP 592           HB2      ASP 592  55.938   1.942  13.233
  407    HB3  ASP 592           HB1      ASP 592  56.149   3.157  11.970
  408    H    LYS 593           HN       LYS 593  59.461   1.172  10.493
  409    HA   LYS 593           HA       LYS 593  58.670   2.655   8.067
  410    HB2  LYS 593           HB2      LYS 593  61.143   3.819   8.757
  411    HB3  LYS 593           HB1      LYS 593  59.569   4.605   8.726
  412    HG2  LYS 593           HG2      LYS 593  59.350   3.478  11.134
  413    HG3  LYS 593           HG1      LYS 593  61.105   3.535  11.056
  414    HD2  LYS 593           HD2      LYS 593  60.416   5.585  12.074
  415    HD3  LYS 593           HD1      LYS 593  60.884   5.986  10.423
  416    HE2  LYS 593           HE2      LYS 593  58.677   6.995  11.255
  417    HE3  LYS 593           HE1      LYS 593  58.614   6.149   9.709
  418    HZ1  LYS 593           HZ1      LYS 593  57.453   4.423  10.591
  419    HZ2  LYS 593           HZ2      LYS 593  56.897   5.657  11.617
  420    HZ3  LYS 593           HZ3      LYS 593  58.119   4.598  12.141
  421    HA   PRO 594           HA       PRO 594  61.428  -0.243   6.211
  422    HB2  PRO 594           HB2      PRO 594  62.276   1.238   4.057
  423    HB3  PRO 594           HB1      PRO 594  60.700   0.449   4.170
  424    HG2  PRO 594           HG2      PRO 594  61.405   3.322   4.512
  425    HG3  PRO 594           HG1      PRO 594  59.938   2.597   3.848
  426    HD2  PRO 594           HD2      PRO 594  60.122   3.682   6.398
  427    HD3  PRO 594           HD1      PRO 594  58.930   2.446   5.923
  428    H    TYR 595           HN       TYR 595  63.599  -0.740   5.855
  429    HA   TYR 595           HA       TYR 595  65.731   1.238   6.124
  430    HB2  TYR 595           HB2      TYR 595  65.178  -0.785   8.323
  431    HB3  TYR 595           HB1      TYR 595  66.724   0.033   8.131
  432    HD1  TYR 595           HD1      TYR 595  63.485   0.217   9.589
  433    HD2  TYR 595           HD2      TYR 595  66.651   2.644   8.006
  434    HE1  TYR 595           HE1      TYR 595  62.601   2.176  10.817
  435    HE2  TYR 595           HE2      TYR 595  65.761   4.605   9.239
  436    HH   TYR 595           HH       TYR 595  63.652   5.364  10.199
  437    H    CYS 596           HN       CYS 596  67.310   0.440   4.746
  438    HA   CYS 596           HA       CYS 596  67.137  -2.060   3.454
  439    HB2  CYS 596           HB2      CYS 596  69.886  -1.050   3.979
  440    HB3  CYS 596           HB1      CYS 596  69.142  -1.533   2.458
  441    H    GLN 597           HN       GLN 597  68.023  -4.097   3.913
  442    HA   GLN 597           HA       GLN 597  68.143  -4.970   6.573
  443    HB2  GLN 597           HB2      GLN 597  68.115  -6.827   5.249
  444    HB3  GLN 597           HB1      GLN 597  68.950  -5.997   3.942
  445    HG2  GLN 597           HG2      GLN 597  70.339  -7.832   4.776
  446    HG3  GLN 597           HG1      GLN 597  71.102  -6.291   5.152
  447   HE21  GLN 597          HE21      GLN 597  68.331  -6.932   7.113
  448   HE22  GLN 597          HE22      GLN 597  69.160  -7.457   8.497
  449    H    ASN 598           HN       ASN 598  70.692  -3.653   4.519
  450    HA   ASN 598           HA       ASN 598  72.862  -4.066   6.364
  451    HB2  ASN 598           HB2      ASN 598  74.134  -2.968   4.807
  452    HB3  ASN 598           HB1      ASN 598  72.731  -3.243   3.780
  453   HD21  ASN 598          HD21      ASN 598  74.003  -0.816   6.117
  454   HD22  ASN 598          HD22      ASN 598  73.360   0.529   5.303
  455    H    CYS 599           HN       CYS 599  70.530  -1.465   5.841
  456    HA   CYS 599           HA       CYS 599  71.634   0.340   7.812
  457    HB2  CYS 599           HB2      CYS 599  69.014   0.097   6.360
  458    HB3  CYS 599           HB1      CYS 599  69.091   1.129   7.784
  459    H    PHE 600           HN       PHE 600  68.705  -1.738   7.917
  460    HA   PHE 600           HA       PHE 600  68.124  -1.564  10.660
  461    HB2  PHE 600           HB2      PHE 600  66.633  -2.791   9.242
  462    HB3  PHE 600           HB1      PHE 600  67.916  -3.859   8.692
  463    HD1  PHE 600           HD1      PHE 600  68.856  -5.591  10.218
  464    HD2  PHE 600           HD2      PHE 600  65.470  -3.184  11.320
  465    HE1  PHE 600           HE1      PHE 600  68.305  -7.194  12.026
  466    HE2  PHE 600           HE2      PHE 600  64.922  -4.790  13.129
  467    HZ   PHE 600           HZ       PHE 600  66.338  -6.794  13.481
  468    H    LEU 601           HN       LEU 601  70.388  -3.714   8.994
  469    HA   LEU 601           HA       LEU 601  71.389  -5.120  11.261
  470    HB2  LEU 601           HB2      LEU 601  71.837  -5.816   8.958
  471    HB3  LEU 601           HB1      LEU 601  72.709  -4.320   8.648
  472    HG   LEU 601           HG       LEU 601  74.258  -5.036  10.586
  473   HD11  LEU 601          HD11      LEU 601  74.340  -7.491  10.943
  474   HD12  LEU 601          HD12      LEU 601  72.897  -7.672   9.945
  475   HD13  LEU 601          HD13      LEU 601  72.805  -6.808  11.480
  476   HD21  LEU 601          HD21      LEU 601  75.183  -5.084   8.427
  477   HD22  LEU 601          HD22      LEU 601  74.063  -6.328   7.872
  478   HD23  LEU 601          HD23      LEU 601  75.381  -6.752   8.967
  479    H    LYS 602           HN       LYS 602  71.922  -1.931  10.014
  480    HA   LYS 602           HA       LYS 602  74.269  -1.385  11.711
  481    HB2  LYS 602           HB2      LYS 602  73.410  -0.411   9.284
  482    HB3  LYS 602           HB1      LYS 602  72.902   0.865  10.381
  483    HG2  LYS 602           HG2      LYS 602  75.105   1.452   9.754
  484    HG3  LYS 602           HG1      LYS 602  75.267   0.747  11.362
  485    HD2  LYS 602           HD2      LYS 602  76.987  -0.284  10.089
  486    HD3  LYS 602           HD1      LYS 602  75.700  -1.488  10.148
  487    HE2  LYS 602           HE2      LYS 602  75.092  -1.146   7.922
  488    HE3  LYS 602           HE1      LYS 602  75.760   0.486   7.884
  489    HZ1  LYS 602           HZ1      LYS 602  77.991  -0.568   8.139
  490    HZ2  LYS 602           HZ2      LYS 602  77.215  -0.902   6.665
  491    HZ3  LYS 602           HZ3      LYS 602  77.253  -2.075   7.894
  492    H    LEU 603           HN       LEU 603  70.823  -0.546  11.532
  493    HA   LEU 603           HA       LEU 603  71.005   1.229  13.860
  494    HB2  LEU 603           HB2      LEU 603  68.404   0.211  12.754
  495    HB3  LEU 603           HB1      LEU 603  68.776   1.785  13.441
  496    HG   LEU 603           HG       LEU 603  69.636   0.740  10.737
  497   HD11  LEU 603          HD11      LEU 603  67.861   3.046  11.575
  498   HD12  LEU 603          HD12      LEU 603  67.315   1.530  10.857
  499   HD13  LEU 603          HD13      LEU 603  68.300   2.649   9.914
  500   HD21  LEU 603          HD21      LEU 603  70.384   3.277  12.214
  501   HD22  LEU 603          HD22      LEU 603  70.588   3.076  10.474
  502   HD23  LEU 603          HD23      LEU 603  71.478   2.041  11.590
  503    H    PHE 604           HN       PHE 604  69.246  -1.791  13.136
  504    HA   PHE 604           HA       PHE 604  68.561  -2.251  15.907
  505    HB2  PHE 604           HB2      PHE 604  67.439  -3.141  13.709
  506    HB3  PHE 604           HB1      PHE 604  68.623  -4.439  13.851
  507    HD1  PHE 604           HD1      PHE 604  68.258  -6.236  15.337
  508    HD2  PHE 604           HD2      PHE 604  65.986  -2.617  15.780
  509    HE1  PHE 604           HE1      PHE 604  66.851  -7.330  17.061
  510    HE2  PHE 604           HE2      PHE 604  64.580  -3.711  17.504
  511    HZ   PHE 604           HZ       PHE 604  65.012  -6.067  18.145
  512    H    CYS 605           HN       CYS 605  71.359  -2.918  13.987
  513    HA   CYS 605           HA       CYS 605  72.556  -4.328  16.313
  514    HB2  CYS 605           HB2      CYS 605  71.602  -5.928  14.453
  515    HB3  CYS 605           HB1      CYS 605  73.049  -5.450  13.568
  516    HG   CYS 605           HG       CYS 605  74.336  -6.225  15.904
  Start of MODEL   10
    1    H    TYR 541           HT1      TYR 541  36.967   3.119 -19.877
    2    HA   TYR 541           HA       TYR 541  37.046   4.731 -18.200
    3    HB2  TYR 541           HB2      TYR 541  37.409   4.135 -15.840
    4    HB3  TYR 541           HB1      TYR 541  35.972   3.325 -16.460
    5    HD1  TYR 541           HD1      TYR 541  39.476   2.882 -15.401
    6    HD2  TYR 541           HD2      TYR 541  35.941   0.914 -16.846
    7    HE1  TYR 541           HE1      TYR 541  40.457   0.684 -14.808
    8    HE2  TYR 541           HE2      TYR 541  36.924  -1.284 -16.251
    9    HH   TYR 541           HH       TYR 541  39.991  -1.861 -15.797
   10    H    HIS 542           HN       HIS 542  39.101   5.330 -16.796
   11    HA   HIS 542           HA       HIS 542  41.427   4.666 -18.437
   12    HB2  HIS 542           HB2      HIS 542  41.008   6.443 -16.022
   13    HB3  HIS 542           HB1      HIS 542  42.588   6.213 -16.770
   14    HD1  HIS 542           HD1      HIS 542  39.069   7.283 -17.779
   15    HD2  HIS 542           HD2      HIS 542  43.029   7.881 -18.935
   16    HE1  HIS 542           HE1      HIS 542  39.022   9.012 -19.629
   17    H    GLU 543           HN       GLU 543  41.890   5.002 -15.003
   18    HA   GLU 543           HA       GLU 543  42.868   2.179 -14.910
   19    HB2  GLU 543           HB2      GLU 543  44.436   2.893 -13.198
   20    HB3  GLU 543           HB1      GLU 543  44.594   3.967 -14.588
   21    HG2  GLU 543           HG2      GLU 543  44.305   5.663 -13.117
   22    HG3  GLU 543           HG1      GLU 543  42.608   5.184 -13.098
   23    H    ARG 544           HN       ARG 544  42.901   1.453 -12.430
   24    HA   ARG 544           HA       ARG 544  40.430   2.347 -11.043
   25    HB2  ARG 544           HB2      ARG 544  40.870  -0.290 -12.325
   26    HB3  ARG 544           HB1      ARG 544  40.222  -0.342 -10.685
   27    HG2  ARG 544           HG2      ARG 544  39.040   1.538 -12.714
   28    HG3  ARG 544           HG1      ARG 544  38.561  -0.156 -12.694
   29    HD2  ARG 544           HD2      ARG 544  38.414   0.511 -10.029
   30    HD3  ARG 544           HD1      ARG 544  37.896   2.005 -10.805
   31    HE   ARG 544           HE       ARG 544  36.256  -0.245 -10.482
   32   HH11  ARG 544          HH11      ARG 544  34.555  -0.793 -11.834
   33   HH12  ARG 544          HH12      ARG 544  34.487  -0.142 -13.437
   34   HH21  ARG 544          HH21      ARG 544  37.406   1.681 -13.119
   35   HH22  ARG 544          HH22      ARG 544  36.097   1.248 -14.161
   36    H    ARG 545           HN       ARG 545  43.238   0.151 -10.956
   37    HA   ARG 545           HA       ARG 545  43.361   0.526  -7.996
   38    HB2  ARG 545           HB2      ARG 545  44.893  -1.504  -9.635
   39    HB3  ARG 545           HB1      ARG 545  44.592  -1.516  -7.897
   40    HG2  ARG 545           HG2      ARG 545  42.099  -1.597  -8.515
   41    HG3  ARG 545           HG1      ARG 545  42.640  -2.013 -10.142
   42    HD2  ARG 545           HD2      ARG 545  44.115  -3.784  -8.884
   43    HD3  ARG 545           HD1      ARG 545  42.946  -3.562  -7.591
   44    HE   ARG 545           HE       ARG 545  42.544  -5.176  -9.876
   45   HH11  ARG 545          HH11      ARG 545  40.546  -5.659 -10.763
   46   HH12  ARG 545          HH12      ARG 545  39.166  -4.702 -10.343
   47   HH21  ARG 545          HH21      ARG 545  40.914  -2.616  -8.214
   48   HH22  ARG 545          HH22      ARG 545  39.376  -2.983  -8.912
   49    H    GLY 546           HN       GLY 546  46.288  -0.605  -9.125
   50    HA2  GLY 546           HA2      GLY 546  48.263   0.532  -9.884
   51    HA3  GLY 546           HA1      GLY 546  47.422   2.068  -9.682
   52    H    SER 547           HN       SER 547  46.467   1.587  -7.016
   53    HA   SER 547           HA       SER 547  47.131   1.776  -4.784
   54    HB2  SER 547           HB2      SER 547  48.962  -0.147  -5.948
   55    HB3  SER 547           HB1      SER 547  49.774   0.828  -4.732
   56    HG   SER 547           HG       SER 547  47.295  -0.523  -4.409
   57    H    LEU 548           HN       LEU 548  47.621   3.770  -4.020
   58    HA   LEU 548           HA       LEU 548  49.384   5.559  -5.446
   59    HB2  LEU 548           HB2      LEU 548  47.842   5.689  -2.879
   60    HB3  LEU 548           HB1      LEU 548  49.095   6.886  -3.179
   61    HG   LEU 548           HG       LEU 548  48.034   7.553  -5.266
   62   HD11  LEU 548          HD11      LEU 548  47.130   5.525  -6.112
   63   HD12  LEU 548          HD12      LEU 548  45.731   6.540  -5.764
   64   HD13  LEU 548          HD13      LEU 548  46.181   5.247  -4.652
   65   HD21  LEU 548          HD21      LEU 548  45.983   8.523  -4.370
   66   HD22  LEU 548          HD22      LEU 548  47.222   8.544  -3.116
   67   HD23  LEU 548          HD23      LEU 548  45.947   7.326  -3.075
   68    H    CYS 549           HN       CYS 549  51.499   6.082  -5.026
   69    HA   CYS 549           HA       CYS 549  53.033   4.280  -3.300
   70    HB2  CYS 549           HB2      CYS 549  54.353   4.770  -5.117
   71    HB3  CYS 549           HB1      CYS 549  53.623   6.354  -5.353
   72    H    SER 550           HN       SER 550  52.942   4.709  -1.140
   73    HA   SER 550           HA       SER 550  52.141   7.118   0.048
   74    HB2  SER 550           HB2      SER 550  54.168   5.138   1.127
   75    HB3  SER 550           HB1      SER 550  53.337   6.360   2.082
   76    HG   SER 550           HG       SER 550  52.374   4.010   0.901
   77    H    GLY 551           HN       GLY 551  52.993   9.041  -0.326
   78    HA2  GLY 551           HA2      GLY 551  55.017  10.496   0.210
   79    HA3  GLY 551           HA1      GLY 551  55.951   9.303  -0.707
   80    H    CYS 552           HN       CYS 552  53.832   8.828  -2.637
   81    HA   CYS 552           HA       CYS 552  54.117  11.312  -4.274
   82    HB2  CYS 552           HB2      CYS 552  53.930   8.388  -4.894
   83    HB3  CYS 552           HB1      CYS 552  53.294   9.533  -6.074
   84    H    GLN 553           HN       GLN 553  51.849   9.030  -2.887
   85    HA   GLN 553           HA       GLN 553  49.518   9.037  -2.751
   86    HB2  GLN 553           HB2      GLN 553  50.171  11.962  -3.103
   87    HB3  GLN 553           HB1      GLN 553  48.494  11.422  -3.027
   88    HG2  GLN 553           HG2      GLN 553  49.549  12.099  -0.799
   89    HG3  GLN 553           HG1      GLN 553  48.784  10.516  -0.837
   90   HE21  GLN 553          HE21      GLN 553  51.815  12.181  -0.441
   91   HE22  GLN 553          HE22      GLN 553  52.772  10.808  -0.172
   92    H    LYS 554           HN       LYS 554  50.882   8.525  -5.277
   93    HA   LYS 554           HA       LYS 554  48.598   9.037  -7.121
   94    HB2  LYS 554           HB2      LYS 554  51.558   9.322  -7.748
   95    HB3  LYS 554           HB1      LYS 554  50.298   9.256  -8.980
   96    HG2  LYS 554           HG2      LYS 554  50.386  11.299  -6.741
   97    HG3  LYS 554           HG1      LYS 554  50.967  11.596  -8.378
   98    HD2  LYS 554           HD2      LYS 554  48.609  10.838  -9.136
   99    HD3  LYS 554           HD1      LYS 554  48.142  11.086  -7.454
  100    HE2  LYS 554           HE2      LYS 554  49.462  13.185  -9.201
  101    HE3  LYS 554           HE1      LYS 554  47.734  13.105  -8.859
  102    HZ1  LYS 554           HZ1      LYS 554  49.874  14.070  -7.216
  103    HZ2  LYS 554           HZ2      LYS 554  48.889  12.949  -6.403
  104    HZ3  LYS 554           HZ3      LYS 554  48.205  14.345  -7.089
  105    HA   PRO 555           HA       PRO 555  48.546   4.646  -7.514
  106    HB2  PRO 555           HB2      PRO 555  48.389   5.011 -10.431
  107    HB3  PRO 555           HB1      PRO 555  47.254   4.229  -9.324
  108    HG2  PRO 555           HG2      PRO 555  46.907   6.736 -10.490
  109    HG3  PRO 555           HG1      PRO 555  46.028   6.134  -9.082
  110    HD2  PRO 555           HD2      PRO 555  48.019   8.259  -9.198
  111    HD3  PRO 555           HD1      PRO 555  47.027   7.745  -7.810
  112    H    ILE 556           HN       ILE 556  49.842   2.914  -8.151
  113    HA   ILE 556           HA       ILE 556  52.530   3.667  -9.198
  114    HB   ILE 556           HB       ILE 556  51.566   1.380  -7.457
  115   HG12  ILE 556          HG12      ILE 556  53.689   3.413  -6.785
  116   HG13  ILE 556          HG11      ILE 556  51.987   3.823  -6.594
  117   HG21  ILE 556          HG21      ILE 556  54.238   1.901  -8.779
  118   HG22  ILE 556          HG22      ILE 556  53.282   0.419  -8.794
  119   HG23  ILE 556          HG23      ILE 556  54.104   0.923  -7.318
  120   HD11  ILE 556          HD11      ILE 556  53.675   2.060  -4.964
  121   HD12  ILE 556          HD12      ILE 556  52.140   1.321  -5.419
  122   HD13  ILE 556          HD13      ILE 556  52.157   2.856  -4.553
  123    H    THR 557           HN       THR 557  52.191   3.438 -11.423
  124    HA   THR 557           HA       THR 557  50.819   1.085 -12.498
  125    HB   THR 557           HB       THR 557  51.533   2.078 -14.712
  126    HG1  THR 557           HG1      THR 557  53.381   3.143 -14.028
  127   HG21  THR 557          HG21      THR 557  50.156   4.218 -14.343
  128   HG22  THR 557          HG22      THR 557  50.028   3.706 -12.660
  129   HG23  THR 557          HG23      THR 557  49.372   2.690 -13.943
  130    H    GLY 558           HN       GLY 558  52.011  -0.736 -11.986
  131    HA2  GLY 558           HA2      GLY 558  53.735  -2.097 -13.351
  132    HA3  GLY 558           HA1      GLY 558  54.864  -0.832 -12.858
  133    H    ARG 559           HN       ARG 559  56.148  -2.320 -11.606
  134    HA   ARG 559           HA       ARG 559  55.086  -4.057  -9.603
  135    HB2  ARG 559           HB2      ARG 559  57.757  -2.793 -10.124
  136    HB3  ARG 559           HB1      ARG 559  57.480  -3.560  -8.561
  137    HG2  ARG 559           HG2      ARG 559  56.631  -5.093 -10.968
  138    HG3  ARG 559           HG1      ARG 559  58.367  -4.931 -10.705
  139    HD2  ARG 559           HD2      ARG 559  57.964  -6.824  -9.439
  140    HD3  ARG 559           HD1      ARG 559  57.686  -5.591  -8.211
  141    HE   ARG 559           HE       ARG 559  55.197  -5.946  -9.395
  142   HH11  ARG 559          HH11      ARG 559  53.689  -7.436  -8.638
  143   HH12  ARG 559          HH12      ARG 559  54.225  -8.813  -7.735
  144   HH21  ARG 559          HH21      ARG 559  57.576  -7.956  -7.904
  145   HH22  ARG 559          HH22      ARG 559  56.422  -9.108  -7.321
  146    H    CYS 560           HN       CYS 560  55.235  -3.681  -7.212
  147    HA   CYS 560           HA       CYS 560  55.300  -0.879  -6.332
  148    HB2  CYS 560           HB2      CYS 560  53.026  -0.797  -5.529
  149    HB3  CYS 560           HB1      CYS 560  52.974  -1.241  -7.234
  150    HG   CYS 560           HG       CYS 560  53.041  -3.760  -5.615
  151    H    ILE 561           HN       ILE 561  55.889  -0.739  -4.231
  152    HA   ILE 561           HA       ILE 561  56.395  -3.270  -2.790
  153    HB   ILE 561           HB       ILE 561  57.045  -0.537  -1.713
  154   HG12  ILE 561          HG12      ILE 561  57.774  -0.516  -4.077
  155   HG13  ILE 561          HG11      ILE 561  59.160  -0.577  -2.996
  156   HG21  ILE 561          HG21      ILE 561  59.158  -2.022  -1.135
  157   HG22  ILE 561          HG22      ILE 561  58.036  -3.349  -1.421
  158   HG23  ILE 561          HG23      ILE 561  57.684  -2.150  -0.175
  159   HD11  ILE 561          HD11      ILE 561  57.988  -2.804  -4.659
  160   HD12  ILE 561          HD12      ILE 561  59.042  -3.141  -3.285
  161   HD13  ILE 561          HD13      ILE 561  59.644  -2.198  -4.648
  162    H    THR 562           HN       THR 562  55.627  -3.589  -0.609
  163    HA   THR 562           HA       THR 562  53.331  -1.846   0.180
  164    HB   THR 562           HB       THR 562  53.404  -4.878   0.305
  165    HG1  THR 562           HG1      THR 562  53.036  -3.830  -1.778
  166   HG21  THR 562          HG21      THR 562  52.116  -4.201   2.149
  167   HG22  THR 562          HG22      THR 562  50.908  -4.401   0.880
  168   HG23  THR 562          HG23      THR 562  51.481  -2.788   1.306
  169    H    ALA 563           HN       ALA 563  54.184  -0.869   1.955
  170    HA   ALA 563           HA       ALA 563  55.877  -2.410   3.824
  171    HB1  ALA 563           HB1      ALA 563  54.986   0.480   4.018
  172    HB2  ALA 563           HB2      ALA 563  56.422  -0.041   3.137
  173    HB3  ALA 563           HB3      ALA 563  56.322  -0.282   4.882
  174    H    MET 564           HN       MET 564  54.520  -0.289   5.816
  175    HA   MET 564           HA       MET 564  52.821  -2.261   7.105
  176    HB2  MET 564           HB2      MET 564  53.204   0.704   7.605
  177    HB3  MET 564           HB1      MET 564  52.292  -0.373   8.661
  178    HG2  MET 564           HG2      MET 564  54.338  -1.766   8.955
  179    HG3  MET 564           HG1      MET 564  55.238  -0.605   7.980
  180    HE1  MET 564           HE1      MET 564  55.528  -1.812  10.853
  181    HE2  MET 564           HE2      MET 564  55.876  -0.534  12.015
  182    HE3  MET 564           HE3      MET 564  56.824  -0.651  10.535
  183    H    ALA 565           HN       ALA 565  51.716  -2.294   4.799
  184    HA   ALA 565           HA       ALA 565  49.597  -2.124   3.779
  185    HB1  ALA 565           HB1      ALA 565  47.790  -1.285   4.953
  186    HB2  ALA 565           HB2      ALA 565  48.702   0.084   5.586
  187    HB3  ALA 565           HB3      ALA 565  48.906  -1.516   6.298
  188    H    LYS 566           HN       LYS 566  51.850   0.306   4.358
  189    HA   LYS 566           HA       LYS 566  50.637   2.287   2.532
  190    HB2  LYS 566           HB2      LYS 566  52.922   2.200   4.424
  191    HB3  LYS 566           HB1      LYS 566  53.169   3.185   2.983
  192    HG2  LYS 566           HG2      LYS 566  51.020   4.359   3.453
  193    HG3  LYS 566           HG1      LYS 566  50.863   3.423   4.941
  194    HD2  LYS 566           HD2      LYS 566  53.346   5.045   4.379
  195    HD3  LYS 566           HD1      LYS 566  51.920   5.785   5.108
  196    HE2  LYS 566           HE2      LYS 566  52.173   4.658   7.089
  197    HE3  LYS 566           HE1      LYS 566  52.820   3.216   6.306
  198    HZ1  LYS 566           HZ1      LYS 566  54.232   5.740   6.940
  199    HZ2  LYS 566           HZ2      LYS 566  54.858   4.604   5.842
  200    HZ3  LYS 566           HZ3      LYS 566  54.604   4.170   7.465
  201    H    LYS 567           HN       LYS 567  51.187   2.436   0.385
  202    HA   LYS 567           HA       LYS 567  53.069   0.409  -0.664
  203    HB2  LYS 567           HB2      LYS 567  50.913   2.124  -1.867
  204    HB3  LYS 567           HB1      LYS 567  52.137   1.389  -2.901
  205    HG2  LYS 567           HG2      LYS 567  50.103  -0.039  -2.653
  206    HG3  LYS 567           HG1      LYS 567  51.568  -0.830  -2.071
  207    HD2  LYS 567           HD2      LYS 567  50.990  -0.513   0.195
  208    HD3  LYS 567           HD1      LYS 567  49.821   0.754  -0.190
  209    HE2  LYS 567           HE2      LYS 567  48.214  -0.766  -0.941
  210    HE3  LYS 567           HE1      LYS 567  49.410  -2.019  -1.265
  211    HZ1  LYS 567           HZ1      LYS 567  49.017  -1.066   1.488
  212    HZ2  LYS 567           HZ2      LYS 567  49.562  -2.580   0.941
  213    HZ3  LYS 567           HZ3      LYS 567  47.916  -2.175   0.828
  214    H    PHE 568           HN       PHE 568  54.457   1.185  -2.548
  215    HA   PHE 568           HA       PHE 568  55.344   3.997  -2.445
  216    HB2  PHE 568           HB2      PHE 568  57.065   1.692  -1.474
  217    HB3  PHE 568           HB1      PHE 568  57.738   3.235  -1.983
  218    HD1  PHE 568           HD1      PHE 568  57.337   5.282  -0.665
  219    HD2  PHE 568           HD2      PHE 568  55.818   1.466   0.599
  220    HE1  PHE 568           HE1      PHE 568  56.931   6.193   1.605
  221    HE2  PHE 568           HE2      PHE 568  55.408   2.381   2.866
  222    HZ   PHE 568           HZ       PHE 568  55.966   4.743   3.370
  223    H    HIS 569           HN       HIS 569  56.260   4.527  -4.451
  224    HA   HIS 569           HA       HIS 569  56.108   2.690  -6.630
  225    HB2  HIS 569           HB2      HIS 569  57.621   5.270  -6.203
  226    HB3  HIS 569           HB1      HIS 569  57.887   4.320  -7.660
  227    HD2  HIS 569           HD2      HIS 569  55.201   3.759  -9.010
  228    HE1  HIS 569           HE1      HIS 569  53.725   7.498  -7.713
  229    HE2  HIS 569           HE2      HIS 569  53.345   5.560  -9.320
  230    HA   PRO 570           HA       PRO 570  59.465  -0.042  -5.593
  231    HB2  PRO 570           HB2      PRO 570  60.029  -0.084  -8.499
  232    HB3  PRO 570           HB1      PRO 570  59.632  -1.416  -7.407
  233    HG2  PRO 570           HG2      PRO 570  57.872  -0.378  -9.248
  234    HG3  PRO 570           HG1      PRO 570  57.388  -1.223  -7.777
  235    HD2  PRO 570           HD2      PRO 570  57.153   1.640  -8.425
  236    HD3  PRO 570           HD1      PRO 570  56.342   0.705  -7.144
  237    H    GLU 571           HN       GLU 571  59.819   2.963  -7.152
  238    HA   GLU 571           HA       GLU 571  62.793   2.879  -6.877
  239    HB2  GLU 571           HB2      GLU 571  62.807   4.825  -8.401
  240    HB3  GLU 571           HB1      GLU 571  62.000   3.443  -9.143
  241    HG2  GLU 571           HG2      GLU 571  59.819   4.355  -8.628
  242    HG3  GLU 571           HG1      GLU 571  60.534   5.655  -7.681
  243    H    HIS 572           HN       HIS 572  59.890   4.192  -5.562
  244    HA   HIS 572           HA       HIS 572  61.365   6.429  -4.266
  245    HB2  HIS 572           HB2      HIS 572  58.401   5.774  -4.350
  246    HB3  HIS 572           HB1      HIS 572  59.095   7.139  -3.474
  247    HD2  HIS 572           HD2      HIS 572  61.349   7.526  -6.151
  248    HE1  HIS 572           HE1      HIS 572  57.829   8.892  -8.028
  249    HE2  HIS 572           HE2      HIS 572  60.365   8.837  -8.165
  250    H    PHE 573           HN       PHE 573  60.349   3.238  -3.683
  251    HA   PHE 573           HA       PHE 573  60.065   3.474  -0.785
  252    HB2  PHE 573           HB2      PHE 573  59.005   1.624  -2.110
  253    HB3  PHE 573           HB1      PHE 573  60.615   1.022  -2.488
  254    HD1  PHE 573           HD1      PHE 573  61.345  -0.753  -1.178
  255    HD2  PHE 573           HD2      PHE 573  58.769   2.202   0.572
  256    HE1  PHE 573           HE1      PHE 573  61.398  -1.983   0.974
  257    HE2  PHE 573           HE2      PHE 573  58.819   0.973   2.724
  258    HZ   PHE 573           HZ       PHE 573  60.133  -1.119   2.925
  259    H    VAL 574           HN       VAL 574  62.026   4.596  -0.274
  260    HA   VAL 574           HA       VAL 574  64.536   3.062  -0.754
  261    HB   VAL 574           HB       VAL 574  65.703   5.174  -0.233
  262   HG11  VAL 574          HG11      VAL 574  65.423   5.923  -2.363
  263   HG12  VAL 574          HG12      VAL 574  63.690   6.165  -2.150
  264   HG13  VAL 574          HG13      VAL 574  64.316   4.560  -2.524
  265   HG21  VAL 574          HG21      VAL 574  62.878   6.239   0.109
  266   HG22  VAL 574          HG22      VAL 574  64.322   7.248   0.022
  267   HG23  VAL 574          HG23      VAL 574  64.112   6.123   1.364
  268    H    CYS 575           HN       CYS 575  66.180   3.361   1.085
  269    HA   CYS 575           HA       CYS 575  65.023   2.273   3.521
  270    HB2  CYS 575           HB2      CYS 575  67.175   1.461   2.852
  271    HB3  CYS 575           HB1      CYS 575  67.822   3.091   2.712
  272    H    ALA 576           HN       ALA 576  64.438   3.402   5.328
  273    HA   ALA 576           HA       ALA 576  64.508   6.301   5.329
  274    HB1  ALA 576           HB1      ALA 576  62.691   5.201   6.467
  275    HB2  ALA 576           HB2      ALA 576  63.656   6.016   7.698
  276    HB3  ALA 576           HB3      ALA 576  63.808   4.274   7.469
  277    H    PHE 577           HN       PHE 577  67.138   5.180   5.077
  278    HA   PHE 577           HA       PHE 577  68.430   6.441   7.436
  279    HB2  PHE 577           HB2      PHE 577  68.302   3.795   7.487
  280    HB3  PHE 577           HB1      PHE 577  69.617   3.916   6.321
  281    HD1  PHE 577           HD1      PHE 577  71.820   4.257   7.061
  282    HD2  PHE 577           HD2      PHE 577  68.544   5.169   9.688
  283    HE1  PHE 577           HE1      PHE 577  73.418   4.689   8.906
  284    HE2  PHE 577           HE2      PHE 577  70.143   5.600  11.532
  285    HZ   PHE 577           HZ       PHE 577  72.580   5.361  11.141
  286    H    CYS 578           HN       CYS 578  69.301   4.670   4.463
  287    HA   CYS 578           HA       CYS 578  71.243   6.823   3.800
  288    HB2  CYS 578           HB2      CYS 578  71.832   5.154   1.920
  289    HB3  CYS 578           HB1      CYS 578  72.235   4.679   3.568
  290    H    LEU 579           HN       LEU 579  68.124   5.645   2.978
  291    HA   LEU 579           HA       LEU 579  66.567   6.266   1.351
  292    HB2  LEU 579           HB2      LEU 579  68.250   8.792   1.340
  293    HB3  LEU 579           HB1      LEU 579  66.617   8.644   0.692
  294    HG   LEU 579           HG       LEU 579  66.310   7.629   3.234
  295   HD11  LEU 579          HD11      LEU 579  68.097  10.058   3.495
  296   HD12  LEU 579          HD12      LEU 579  68.691   8.409   3.681
  297   HD13  LEU 579          HD13      LEU 579  67.470   9.035   4.788
  298   HD21  LEU 579          HD21      LEU 579  65.250   9.831   3.726
  299   HD22  LEU 579          HD22      LEU 579  64.808   9.221   2.132
  300   HD23  LEU 579          HD23      LEU 579  66.016  10.498   2.284
  301    H    LYS 580           HN       LYS 580  69.302   5.093   0.504
  302    HA   LYS 580           HA       LYS 580  69.839   6.206  -2.118
  303    HB2  LYS 580           HB2      LYS 580  71.221   4.189  -2.449
  304    HB3  LYS 580           HB1      LYS 580  71.535   4.905  -0.869
  305    HG2  LYS 580           HG2      LYS 580  69.732   3.265   0.015
  306    HG3  LYS 580           HG1      LYS 580  69.947   2.421  -1.518
  307    HD2  LYS 580           HD2      LYS 580  72.551   2.939  -0.545
  308    HD3  LYS 580           HD1      LYS 580  71.618   2.355   0.833
  309    HE2  LYS 580           HE2      LYS 580  72.592   0.446  -0.325
  310    HE3  LYS 580           HE1      LYS 580  70.844   0.430  -0.560
  311    HZ1  LYS 580           HZ1      LYS 580  71.086   0.688  -2.740
  312    HZ2  LYS 580           HZ2      LYS 580  72.739   0.360  -2.526
  313    HZ3  LYS 580           HZ3      LYS 580  72.186   1.966  -2.558
  314    H    GLN 581           HN       GLN 581  68.250   3.186  -1.066
  315    HA   GLN 581           HA       GLN 581  66.062   3.348  -2.856
  316    HB2  GLN 581           HB2      GLN 581  68.403   2.708  -4.240
  317    HB3  GLN 581           HB1      GLN 581  67.653   1.144  -3.948
  318    HG2  GLN 581           HG2      GLN 581  65.637   3.052  -4.743
  319    HG3  GLN 581           HG1      GLN 581  66.945   3.044  -5.923
  320   HE21  GLN 581          HE21      GLN 581  64.418   1.069  -4.448
  321   HE22  GLN 581          HE22      GLN 581  64.531  -0.218  -5.546
  322    H    LEU 582           HN       LEU 582  64.776   1.311  -2.731
  323    HA   LEU 582           HA       LEU 582  65.800  -0.808  -0.995
  324    HB2  LEU 582           HB2      LEU 582  64.928   1.278   0.402
  325    HB3  LEU 582           HB1      LEU 582  63.358   0.550   0.076
  326    HG   LEU 582           HG       LEU 582  64.307  -1.629   0.933
  327   HD11  LEU 582          HD11      LEU 582  66.535  -1.714   1.243
  328   HD12  LEU 582          HD12      LEU 582  66.314  -0.644   2.626
  329   HD13  LEU 582          HD13      LEU 582  66.682   0.031   1.042
  330   HD21  LEU 582          HD21      LEU 582  63.833   0.836   2.547
  331   HD22  LEU 582          HD22      LEU 582  64.432  -0.591   3.393
  332   HD23  LEU 582          HD23      LEU 582  62.912  -0.666   2.502
  333    H    ASN 583           HN       ASN 583  64.187  -2.542  -0.690
  334    HA   ASN 583           HA       ASN 583  61.770  -2.472  -2.357
  335    HB2  ASN 583           HB2      ASN 583  63.431  -3.042  -4.045
  336    HB3  ASN 583           HB1      ASN 583  64.113  -4.291  -3.003
  337   HD21  ASN 583          HD21      ASN 583  63.529  -6.255  -3.969
  338   HD22  ASN 583          HD22      ASN 583  61.957  -6.655  -4.468
  339    H    LYS 584           HN       LYS 584  60.250  -3.753  -1.412
  340    HA   LYS 584           HA       LYS 584  60.548  -4.954   1.103
  341    HB2  LYS 584           HB2      LYS 584  58.333  -4.583   0.355
  342    HB3  LYS 584           HB1      LYS 584  58.619  -5.421  -1.167
  343    HG2  LYS 584           HG2      LYS 584  57.266  -6.846   0.262
  344    HG3  LYS 584           HG1      LYS 584  58.868  -7.561   0.111
  345    HD2  LYS 584           HD2      LYS 584  58.224  -7.654   2.443
  346    HD3  LYS 584           HD1      LYS 584  59.493  -6.442   2.279
  347    HE2  LYS 584           HE2      LYS 584  58.053  -4.677   2.668
  348    HE3  LYS 584           HE1      LYS 584  56.662  -5.528   1.995
  349    HZ1  LYS 584           HZ1      LYS 584  56.139  -6.369   3.973
  350    HZ2  LYS 584           HZ2      LYS 584  57.200  -5.220   4.636
  351    HZ3  LYS 584           HZ3      LYS 584  57.739  -6.802   4.328
  352    H    GLY 585           HN       GLY 585  61.325  -6.216  -2.051
  353    HA2  GLY 585           HA2      GLY 585  61.355  -8.957  -1.759
  354    HA3  GLY 585           HA1      GLY 585  62.612  -8.092  -2.633
  355    H    THR 586           HN       THR 586  63.790  -6.717  -0.402
  356    HA   THR 586           HA       THR 586  64.530  -8.828   1.531
  357    HB   THR 586           HB       THR 586  66.990  -8.513   0.994
  358    HG1  THR 586           HG1      THR 586  65.875  -7.381  -1.356
  359   HG21  THR 586          HG21      THR 586  66.986 -10.154  -0.748
  360   HG22  THR 586          HG22      THR 586  65.403  -9.636  -1.325
  361   HG23  THR 586          HG23      THR 586  65.548 -10.466   0.224
  362    H    PHE 587           HN       PHE 587  63.283  -6.208   1.851
  363    HA   PHE 587           HA       PHE 587  65.464  -4.565   3.011
  364    HB2  PHE 587           HB2      PHE 587  64.042  -2.768   2.909
  365    HB3  PHE 587           HB1      PHE 587  63.248  -3.747   1.692
  366    HD1  PHE 587           HD1      PHE 587  61.699  -5.715   2.988
  367    HD2  PHE 587           HD2      PHE 587  62.536  -1.722   4.338
  368    HE1  PHE 587           HE1      PHE 587  59.647  -5.751   4.377
  369    HE2  PHE 587           HE2      PHE 587  60.481  -1.761   5.723
  370    HZ   PHE 587           HZ       PHE 587  59.037  -3.775   5.744
  371    H    LYS 588           HN       LYS 588  64.625  -3.487   5.170
  372    HA   LYS 588           HA       LYS 588  63.393  -5.483   6.983
  373    HB2  LYS 588           HB2      LYS 588  66.153  -4.282   7.227
  374    HB3  LYS 588           HB1      LYS 588  65.260  -4.766   8.665
  375    HG2  LYS 588           HG2      LYS 588  65.736  -6.632   6.325
  376    HG3  LYS 588           HG1      LYS 588  66.831  -6.522   7.702
  377    HD2  LYS 588           HD2      LYS 588  65.516  -7.974   8.806
  378    HD3  LYS 588           HD1      LYS 588  64.248  -6.749   8.815
  379    HE2  LYS 588           HE2      LYS 588  63.335  -7.567   6.745
  380    HE3  LYS 588           HE1      LYS 588  64.712  -8.639   6.495
  381    HZ1  LYS 588           HZ1      LYS 588  62.705  -9.755   7.390
  382    HZ2  LYS 588           HZ2      LYS 588  62.862  -8.830   8.806
  383    HZ3  LYS 588           HZ3      LYS 588  64.077  -9.934   8.370
  384    H    GLU 589           HN       GLU 589  62.979  -4.263   9.190
  385    HA   GLU 589           HA       GLU 589  62.717  -1.347   8.760
  386    HB2  GLU 589           HB2      GLU 589  60.407  -1.243   8.994
  387    HB3  GLU 589           HB1      GLU 589  60.588  -2.727   8.059
  388    HG2  GLU 589           HG2      GLU 589  60.720  -3.876  10.415
  389    HG3  GLU 589           HG1      GLU 589  59.946  -2.394  10.979
  390    H    GLN 590           HN       GLN 590  62.455  -0.159  10.676
  391    HA   GLN 590           HA       GLN 590  62.431  -1.522  13.275
  392    HB2  GLN 590           HB2      GLN 590  64.858  -1.501  12.434
  393    HB3  GLN 590           HB1      GLN 590  64.782   0.252  12.568
  394    HG2  GLN 590           HG2      GLN 590  65.698  -0.497  14.631
  395    HG3  GLN 590           HG1      GLN 590  64.018  -0.100  14.984
  396   HE21  GLN 590          HE21      GLN 590  65.209  -3.029  13.301
  397   HE22  GLN 590          HE22      GLN 590  64.644  -4.122  14.470
  398    H    ASN 591           HN       ASN 591  61.912   0.000  14.955
  399    HA   ASN 591           HA       ASN 591  60.833   1.914  15.772
  400    HB2  ASN 591           HB2      ASN 591  62.855   3.067  13.847
  401    HB3  ASN 591           HB1      ASN 591  61.802   4.095  14.813
  402   HD21  ASN 591          HD21      ASN 591  64.816   2.634  14.846
  403   HD22  ASN 591          HD22      ASN 591  65.077   2.593  16.522
  404    H    ASP 592           HN       ASP 592  59.860   0.575  13.133
  405    HA   ASP 592           HA       ASP 592  57.868   0.891  11.907
  406    HB2  ASP 592           HB2      ASP 592  57.421   2.586  13.928
  407    HB3  ASP 592           HB1      ASP 592  57.656   3.776  12.646
  408    H    LYS 593           HN       LYS 593  60.590   1.454  10.908
  409    HA   LYS 593           HA       LYS 593  59.755   3.020   8.542
  410    HB2  LYS 593           HB2      LYS 593  62.373   3.909   8.926
  411    HB3  LYS 593           HB1      LYS 593  60.908   4.854   9.170
  412    HG2  LYS 593           HG2      LYS 593  60.851   3.883  11.542
  413    HG3  LYS 593           HG1      LYS 593  62.492   3.324  11.234
  414    HD2  LYS 593           HD2      LYS 593  63.059   5.373  12.064
  415    HD3  LYS 593           HD1      LYS 593  62.718   5.899  10.416
  416    HE2  LYS 593           HE2      LYS 593  60.370   6.384  11.083
  417    HE3  LYS 593           HE1      LYS 593  60.768   5.929  12.740
  418    HZ1  LYS 593           HZ1      LYS 593  62.715   7.699  12.086
  419    HZ2  LYS 593           HZ2      LYS 593  61.322   8.056  12.992
  420    HZ3  LYS 593           HZ3      LYS 593  61.351   8.354  11.320
  421    HA   PRO 594           HA       PRO 594  61.940  -0.191   6.458
  422    HB2  PRO 594           HB2      PRO 594  62.778   1.185   4.231
  423    HB3  PRO 594           HB1      PRO 594  61.129   0.605   4.487
  424    HG2  PRO 594           HG2      PRO 594  62.226   3.361   4.761
  425    HG3  PRO 594           HG1      PRO 594  60.628   2.836   4.225
  426    HD2  PRO 594           HD2      PRO 594  61.157   3.866   6.746
  427    HD3  PRO 594           HD1      PRO 594  59.788   2.785   6.379
  428    H    TYR 595           HN       TYR 595  63.989  -0.959   5.902
  429    HA   TYR 595           HA       TYR 595  66.373   0.728   5.986
  430    HB2  TYR 595           HB2      TYR 595  65.764  -1.250   8.212
  431    HB3  TYR 595           HB1      TYR 595  67.378  -0.630   7.886
  432    HD1  TYR 595           HD1      TYR 595  67.435   2.054   7.586
  433    HD2  TYR 595           HD2      TYR 595  64.525  -0.151   9.840
  434    HE1  TYR 595           HE1      TYR 595  66.921   4.086   8.912
  435    HE2  TYR 595           HE2      TYR 595  64.015   1.880  11.164
  436    HH   TYR 595           HH       TYR 595  65.133   4.994  10.258
  437    H    CYS 596           HN       CYS 596  67.715  -0.244   4.471
  438    HA   CYS 596           HA       CYS 596  67.102  -2.679   3.184
  439    HB2  CYS 596           HB2      CYS 596  69.996  -2.053   3.449
  440    HB3  CYS 596           HB1      CYS 596  69.048  -2.380   2.002
  441    H    GLN 597           HN       GLN 597  67.746  -4.821   3.555
  442    HA   GLN 597           HA       GLN 597  68.004  -5.746   6.187
  443    HB2  GLN 597           HB2      GLN 597  67.599  -7.551   4.843
  444    HB3  GLN 597           HB1      GLN 597  68.450  -6.825   3.485
  445    HG2  GLN 597           HG2      GLN 597  69.613  -8.855   4.216
  446    HG3  GLN 597           HG1      GLN 597  70.616  -7.442   4.521
  447   HE21  GLN 597          HE21      GLN 597  67.954  -7.680   6.705
  448   HE22  GLN 597          HE22      GLN 597  68.805  -8.331   8.019
  449    H    ASN 598           HN       ASN 598  70.488  -4.740   3.901
  450    HA   ASN 598           HA       ASN 598  72.764  -5.449   5.516
  451    HB2  ASN 598           HB2      ASN 598  72.890  -4.940   3.076
  452    HB3  ASN 598           HB1      ASN 598  72.496  -3.259   3.429
  453   HD21  ASN 598          HD21      ASN 598  74.063  -2.316   5.268
  454   HD22  ASN 598          HD22      ASN 598  75.708  -2.676   5.055
  455    H    CYS 599           HN       CYS 599  70.723  -2.569   5.244
  456    HA   CYS 599           HA       CYS 599  72.269  -0.953   7.091
  457    HB2  CYS 599           HB2      CYS 599  69.533  -0.796   5.865
  458    HB3  CYS 599           HB1      CYS 599  69.855   0.174   7.298
  459    H    PHE 600           HN       PHE 600  69.102  -2.608   7.447
  460    HA   PHE 600           HA       PHE 600  68.778  -2.392  10.228
  461    HB2  PHE 600           HB2      PHE 600  67.026  -3.382   8.926
  462    HB3  PHE 600           HB1      PHE 600  68.101  -4.617   8.286
  463    HD1  PHE 600           HD1      PHE 600  65.966  -3.628  11.075
  464    HD2  PHE 600           HD2      PHE 600  68.911  -6.466   9.756
  465    HE1  PHE 600           HE1      PHE 600  65.327  -5.154  12.922
  466    HE2  PHE 600           HE2      PHE 600  68.274  -7.987  11.607
  467    HZ   PHE 600           HZ       PHE 600  66.481  -7.331  13.188
  468    H    LEU 601           HN       LEU 601  70.583  -4.813   8.380
  469    HA   LEU 601           HA       LEU 601  71.560  -6.377  10.547
  470    HB2  LEU 601           HB2      LEU 601  71.749  -7.083   8.213
  471    HB3  LEU 601           HB1      LEU 601  72.773  -5.701   7.849
  472    HG   LEU 601           HG       LEU 601  74.372  -6.631   9.643
  473   HD11  LEU 601          HD11      LEU 601  72.807  -8.209  10.675
  474   HD12  LEU 601          HD12      LEU 601  74.165  -9.092   9.978
  475   HD13  LEU 601          HD13      LEU 601  72.614  -9.053   9.139
  476   HD21  LEU 601          HD21      LEU 601  73.789  -7.789   6.936
  477   HD22  LEU 601          HD22      LEU 601  75.064  -8.514   7.919
  478   HD23  LEU 601          HD23      LEU 601  75.162  -6.814   7.461
  479    H    LYS 602           HN       LYS 602  72.439  -3.270   9.274
  480    HA   LYS 602           HA       LYS 602  74.941  -3.068  10.811
  481    HB2  LYS 602           HB2      LYS 602  74.068  -1.963   8.453
  482    HB3  LYS 602           HB1      LYS 602  73.791  -0.644   9.580
  483    HG2  LYS 602           HG2      LYS 602  76.014  -0.365   8.771
  484    HG3  LYS 602           HG1      LYS 602  76.164  -1.003  10.408
  485    HD2  LYS 602           HD2      LYS 602  77.686  -2.289   9.095
  486    HD3  LYS 602           HD1      LYS 602  76.282  -3.329   9.332
  487    HE2  LYS 602           HE2      LYS 602  75.498  -2.974   7.134
  488    HE3  LYS 602           HE1      LYS 602  76.503  -1.543   6.911
  489    HZ1  LYS 602           HZ1      LYS 602  77.578  -4.282   7.293
  490    HZ2  LYS 602           HZ2      LYS 602  78.452  -2.887   6.872
  491    HZ3  LYS 602           HZ3      LYS 602  77.343  -3.563   5.775
  492    H    LEU 603           HN       LEU 603  71.642  -1.751  10.875
  493    HA   LEU 603           HA       LEU 603  72.234  -0.052  13.190
  494    HB2  LEU 603           HB2      LEU 603  69.443  -0.688  12.277
  495    HB3  LEU 603           HB1      LEU 603  70.079   0.811  12.937
  496    HG   LEU 603           HG       LEU 603  70.593  -0.310  10.177
  497   HD11  LEU 603          HD11      LEU 603  68.408   0.797  10.505
  498   HD12  LEU 603          HD12      LEU 603  69.453   1.734   9.436
  499   HD13  LEU 603          HD13      LEU 603  69.237   2.230  11.115
  500   HD21  LEU 603          HD21      LEU 603  72.648   0.724  10.930
  501   HD22  LEU 603          HD22      LEU 603  71.766   2.106  11.582
  502   HD23  LEU 603          HD23      LEU 603  71.848   1.853   9.838
  503    H    PHE 604           HN       PHE 604  70.003  -2.778  12.606
  504    HA   PHE 604           HA       PHE 604  69.481  -3.172  15.419
  505    HB2  PHE 604           HB2      PHE 604  68.056  -3.872  13.356
  506    HB3  PHE 604           HB1      PHE 604  69.090  -5.300  13.326
  507    HD1  PHE 604           HD1      PHE 604  66.904  -3.281  15.594
  508    HD2  PHE 604           HD2      PHE 604  68.670  -7.111  14.777
  509    HE1  PHE 604           HE1      PHE 604  65.568  -4.287  17.424
  510    HE2  PHE 604           HE2      PHE 604  67.334  -8.117  16.608
  511    HZ   PHE 604           HZ       PHE 604  65.783  -6.705  17.931
  512    H    CYS 605           HN       CYS 605  71.993  -4.219  13.279
  513    HA   CYS 605           HA       CYS 605  73.162  -5.797  15.513
  514    HB2  CYS 605           HB2      CYS 605  71.871  -7.227  13.722
  515    HB3  CYS 605           HB1      CYS 605  73.299  -6.932  12.733
  516    HG   CYS 605           HG       CYS 605  74.663  -7.922  14.915
  Start of MODEL   11
    1    H    TYR 541           HT1      TYR 541  41.294   0.472 -16.782
    2    HA   TYR 541           HA       TYR 541  42.776   2.674 -15.840
    3    HB2  TYR 541           HB2      TYR 541  42.563   1.946 -18.194
    4    HB3  TYR 541           HB1      TYR 541  40.844   2.336 -18.159
    5    HD1  TYR 541           HD1      TYR 541  40.105   4.521 -18.644
    6    HD2  TYR 541           HD2      TYR 541  44.228   3.848 -17.639
    7    HE1  TYR 541           HE1      TYR 541  40.628   6.880 -19.203
    8    HE2  TYR 541           HE2      TYR 541  44.749   6.206 -18.199
    9    HH   TYR 541           HH       TYR 541  43.219   8.051 -19.984
   10    H    HIS 542           HN       HIS 542  41.950   4.902 -15.701
   11    HA   HIS 542           HA       HIS 542  40.573   6.500 -14.696
   12    HB2  HIS 542           HB2      HIS 542  39.277   6.034 -16.777
   13    HB3  HIS 542           HB1      HIS 542  38.361   4.812 -15.900
   14    HD1  HIS 542           HD1      HIS 542  36.942   5.718 -13.795
   15    HD2  HIS 542           HD2      HIS 542  38.385   8.647 -16.386
   16    HE1  HIS 542           HE1      HIS 542  35.647   7.832 -13.278
   17    H    GLU 543           HN       GLU 543  38.071   4.063 -14.326
   18    HA   GLU 543           HA       GLU 543  37.751   4.544 -11.536
   19    HB2  GLU 543           HB2      GLU 543  36.983   2.062 -13.107
   20    HB3  GLU 543           HB1      GLU 543  36.322   2.548 -11.545
   21    HG2  GLU 543           HG2      GLU 543  35.589   4.717 -12.661
   22    HG3  GLU 543           HG1      GLU 543  36.012   3.968 -14.202
   23    H    ARG 544           HN       ARG 544  39.630   2.118 -13.307
   24    HA   ARG 544           HA       ARG 544  40.483   0.775 -10.840
   25    HB2  ARG 544           HB2      ARG 544  40.219  -0.239 -13.247
   26    HB3  ARG 544           HB1      ARG 544  41.837   0.415 -13.501
   27    HG2  ARG 544           HG2      ARG 544  41.162  -1.308 -11.108
   28    HG3  ARG 544           HG1      ARG 544  41.702  -1.998 -12.636
   29    HD2  ARG 544           HD2      ARG 544  43.635  -0.192 -12.386
   30    HD3  ARG 544           HD1      ARG 544  43.217  -0.315 -10.677
   31    HE   ARG 544           HE       ARG 544  43.473  -2.955 -11.508
   32   HH11  ARG 544          HH11      ARG 544  45.422  -4.081 -11.406
   33   HH12  ARG 544          HH12      ARG 544  46.917  -3.207 -11.406
   34   HH21  ARG 544          HH21      ARG 544  45.408  -0.094 -11.585
   35   HH22  ARG 544          HH22      ARG 544  46.909  -0.954 -11.509
   36    H    ARG 545           HN       ARG 545  41.972   1.744  -9.558
   37    HA   ARG 545           HA       ARG 545  43.937   3.619 -10.766
   38    HB2  ARG 545           HB2      ARG 545  43.434   3.021  -7.838
   39    HB3  ARG 545           HB1      ARG 545  44.358   4.366  -8.499
   40    HG2  ARG 545           HG2      ARG 545  42.438   5.554  -8.428
   41    HG3  ARG 545           HG1      ARG 545  41.918   4.574  -9.798
   42    HD2  ARG 545           HD2      ARG 545  40.193   4.013  -8.414
   43    HD3  ARG 545           HD1      ARG 545  41.367   2.876  -7.751
   44    HE   ARG 545           HE       ARG 545  41.815   5.208  -6.318
   45   HH11  ARG 545          HH11      ARG 545  40.751   5.680  -4.387
   46   HH12  ARG 545          HH12      ARG 545  39.211   4.961  -4.061
   47   HH21  ARG 545          HH21      ARG 545  39.101   3.199  -7.041
   48   HH22  ARG 545          HH22      ARG 545  38.278   3.558  -5.561
   49    H    GLY 546           HN       GLY 546  44.120   1.240  -8.113
   50    HA2  GLY 546           HA2      GLY 546  45.637  -0.777  -8.702
   51    HA3  GLY 546           HA1      GLY 546  46.799   0.470  -9.154
   52    H    SER 547           HN       SER 547  47.848   1.649  -7.531
   53    HA   SER 547           HA       SER 547  47.117   1.408  -4.723
   54    HB2  SER 547           HB2      SER 547  48.973  -0.513  -5.891
   55    HB3  SER 547           HB1      SER 547  49.743   0.427  -4.619
   56    HG   SER 547           HG       SER 547  47.267  -0.962  -4.442
   57    H    LEU 548           HN       LEU 548  47.646   3.405  -3.964
   58    HA   LEU 548           HA       LEU 548  49.401   5.162  -5.426
   59    HB2  LEU 548           HB2      LEU 548  47.928   5.318  -2.821
   60    HB3  LEU 548           HB1      LEU 548  49.189   6.498  -3.155
   61    HG   LEU 548           HG       LEU 548  48.088   7.164  -5.226
   62   HD11  LEU 548          HD11      LEU 548  47.123   5.156  -6.037
   63   HD12  LEU 548          HD12      LEU 548  45.749   6.187  -5.643
   64   HD13  LEU 548          HD13      LEU 548  46.221   4.890  -4.545
   65   HD21  LEU 548          HD21      LEU 548  47.352   8.196  -3.072
   66   HD22  LEU 548          HD22      LEU 548  46.064   6.996  -2.971
   67   HD23  LEU 548          HD23      LEU 548  46.072   8.172  -4.284
   68    H    CYS 549           HN       CYS 549  51.526   5.660  -5.077
   69    HA   CYS 549           HA       CYS 549  53.100   3.849  -3.400
   70    HB2  CYS 549           HB2      CYS 549  54.365   4.331  -5.258
   71    HB3  CYS 549           HB1      CYS 549  53.634   5.917  -5.474
   72    H    SER 550           HN       SER 550  53.113   4.279  -1.237
   73    HA   SER 550           HA       SER 550  52.357   6.693  -0.027
   74    HB2  SER 550           HB2      SER 550  54.450   4.770   1.028
   75    HB3  SER 550           HB1      SER 550  53.517   5.918   1.980
   76    HG   SER 550           HG       SER 550  52.720   3.544   0.705
   77    H    GLY 551           HN       GLY 551  53.210   8.611  -0.438
   78    HA2  GLY 551           HA2      GLY 551  55.265  10.049   0.031
   79    HA3  GLY 551           HA1      GLY 551  56.156   8.847  -0.915
   80    H    CYS 552           HN       CYS 552  53.971   8.387  -2.772
   81    HA   CYS 552           HA       CYS 552  54.221  10.868  -4.422
   82    HB2  CYS 552           HB2      CYS 552  54.002   7.945  -5.033
   83    HB3  CYS 552           HB1      CYS 552  53.325   9.090  -6.191
   84    H    GLN 553           HN       GLN 553  51.981   8.610  -2.951
   85    HA   GLN 553           HA       GLN 553  49.655   8.632  -2.749
   86    HB2  GLN 553           HB2      GLN 553  50.317  11.551  -3.137
   87    HB3  GLN 553           HB1      GLN 553  48.640  11.022  -3.008
   88    HG2  GLN 553           HG2      GLN 553  49.772  11.706  -0.817
   89    HG3  GLN 553           HG1      GLN 553  48.983  10.135  -0.822
   90   HE21  GLN 553          HE21      GLN 553  52.049  11.754  -0.523
   91   HE22  GLN 553          HE22      GLN 553  52.992  10.367  -0.273
   92    H    LYS 554           HN       LYS 554  50.948   8.099  -5.306
   93    HA   LYS 554           HA       LYS 554  48.620   8.610  -7.095
   94    HB2  LYS 554           HB2      LYS 554  51.565   8.912  -7.772
   95    HB3  LYS 554           HB1      LYS 554  50.303   8.784  -8.996
   96    HG2  LYS 554           HG2      LYS 554  50.364  10.895  -6.818
   97    HG3  LYS 554           HG1      LYS 554  50.920  11.153  -8.471
   98    HD2  LYS 554           HD2      LYS 554  48.542  10.263  -9.129
   99    HD3  LYS 554           HD1      LYS 554  48.125  10.686  -7.469
  100    HE2  LYS 554           HE2      LYS 554  48.907  12.990  -7.844
  101    HE3  LYS 554           HE1      LYS 554  49.357  12.575  -9.499
  102    HZ1  LYS 554           HZ1      LYS 554  46.925  11.831  -9.695
  103    HZ2  LYS 554           HZ2      LYS 554  47.263  13.496  -9.726
  104    HZ3  LYS 554           HZ3      LYS 554  46.666  12.774  -8.309
  105    HA   PRO 555           HA       PRO 555  48.532   4.219  -7.480
  106    HB2  PRO 555           HB2      PRO 555  48.377   4.594 -10.402
  107    HB3  PRO 555           HB1      PRO 555  47.246   3.795  -9.302
  108    HG2  PRO 555           HG2      PRO 555  46.876   6.304 -10.442
  109    HG3  PRO 555           HG1      PRO 555  46.019   5.699  -9.023
  110    HD2  PRO 555           HD2      PRO 555  48.006   7.827  -9.165
  111    HD3  PRO 555           HD1      PRO 555  47.030   7.315  -7.766
  112    H    ILE 556           HN       ILE 556  49.815   2.477  -8.105
  113    HA   ILE 556           HA       ILE 556  52.505   3.207  -9.156
  114    HB   ILE 556           HB       ILE 556  51.522   0.944  -7.399
  115   HG12  ILE 556          HG12      ILE 556  53.682   2.946  -6.760
  116   HG13  ILE 556          HG11      ILE 556  51.989   3.391  -6.570
  117   HG21  ILE 556          HG21      ILE 556  54.255   1.441  -8.620
  118   HG22  ILE 556          HG22      ILE 556  53.231   0.025  -8.848
  119   HG23  ILE 556          HG23      ILE 556  53.972   0.333  -7.278
  120   HD11  ILE 556          HD11      ILE 556  53.554   2.019  -4.705
  121   HD12  ILE 556          HD12      ILE 556  52.537   0.769  -5.420
  122   HD13  ILE 556          HD13      ILE 556  51.800   2.186  -4.672
  123    H    THR 557           HN       THR 557  52.205   2.965 -11.374
  124    HA   THR 557           HA       THR 557  50.772   0.672 -12.477
  125    HB   THR 557           HB       THR 557  51.574   1.605 -14.669
  126    HG1  THR 557           HG1      THR 557  53.518   2.495 -13.706
  127   HG21  THR 557          HG21      THR 557  50.086   3.205 -12.618
  128   HG22  THR 557          HG22      THR 557  49.502   2.487 -14.119
  129   HG23  THR 557          HG23      THR 557  50.465   3.963 -14.165
  130    H    GLY 558           HN       GLY 558  51.678  -1.294 -12.535
  131    HA2  GLY 558           HA2      GLY 558  53.410  -2.724 -13.599
  132    HA3  GLY 558           HA1      GLY 558  54.609  -1.533 -13.081
  133    H    ARG 559           HN       ARG 559  55.776  -3.046 -11.771
  134    HA   ARG 559           HA       ARG 559  54.520  -4.688  -9.784
  135    HB2  ARG 559           HB2      ARG 559  56.931  -4.422  -8.701
  136    HB3  ARG 559           HB1      ARG 559  56.673  -5.423 -10.130
  137    HG2  ARG 559           HG2      ARG 559  57.190  -2.525 -10.553
  138    HG3  ARG 559           HG1      ARG 559  58.543  -3.534 -10.063
  139    HD2  ARG 559           HD2      ARG 559  58.633  -4.600 -12.067
  140    HD3  ARG 559           HD1      ARG 559  56.875  -4.728 -12.163
  141    HE   ARG 559           HE       ARG 559  57.386  -2.033 -12.612
  142   HH11  ARG 559          HH11      ARG 559  57.721  -1.178 -14.668
  143   HH12  ARG 559          HH12      ARG 559  58.287  -2.207 -15.941
  144   HH21  ARG 559          HH21      ARG 559  58.423  -5.040 -13.955
  145   HH22  ARG 559          HH22      ARG 559  58.684  -4.389 -15.538
  146    H    CYS 560           HN       CYS 560  55.051  -4.282  -7.348
  147    HA   CYS 560           HA       CYS 560  55.171  -1.466  -6.567
  148    HB2  CYS 560           HB2      CYS 560  52.950  -1.363  -5.562
  149    HB3  CYS 560           HB1      CYS 560  52.795  -1.731  -7.279
  150    HG   CYS 560           HG       CYS 560  52.889  -4.280  -5.637
  151    H    ILE 561           HN       ILE 561  55.876  -1.272  -4.498
  152    HA   ILE 561           HA       ILE 561  56.432  -3.778  -3.027
  153    HB   ILE 561           HB       ILE 561  57.196  -1.027  -2.071
  154   HG12  ILE 561          HG12      ILE 561  57.779  -1.141  -4.492
  155   HG13  ILE 561          HG11      ILE 561  59.212  -1.114  -3.472
  156   HG21  ILE 561          HG21      ILE 561  57.930  -2.555  -0.512
  157   HG22  ILE 561          HG22      ILE 561  59.315  -2.587  -1.605
  158   HG23  ILE 561          HG23      ILE 561  58.091  -3.851  -1.698
  159   HD11  ILE 561          HD11      ILE 561  57.961  -3.590  -4.699
  160   HD12  ILE 561          HD12      ILE 561  59.376  -3.581  -3.647
  161   HD13  ILE 561          HD13      ILE 561  59.451  -2.812  -5.231
  162    H    THR 562           HN       THR 562  55.720  -4.105  -0.867
  163    HA   THR 562           HA       THR 562  53.544  -2.276   0.062
  164    HB   THR 562           HB       THR 562  53.565  -5.309   0.183
  165    HG1  THR 562           HG1      THR 562  53.038  -4.257  -1.851
  166   HG21  THR 562          HG21      THR 562  52.458  -4.623   2.141
  167   HG22  THR 562          HG22      THR 562  51.142  -4.805   0.981
  168   HG23  THR 562          HG23      THR 562  51.766  -3.200   1.361
  169    H    ALA 563           HN       ALA 563  54.501  -1.307   1.786
  170    HA   ALA 563           HA       ALA 563  56.326  -2.837   3.527
  171    HB1  ALA 563           HB1      ALA 563  56.842  -0.717   4.540
  172    HB2  ALA 563           HB2      ALA 563  55.411   0.031   3.831
  173    HB3  ALA 563           HB3      ALA 563  56.758  -0.447   2.798
  174    H    MET 564           HN       MET 564  55.127  -0.787   5.657
  175    HA   MET 564           HA       MET 564  53.532  -2.773   7.032
  176    HB2  MET 564           HB2      MET 564  53.661   0.201   7.590
  177    HB3  MET 564           HB1      MET 564  53.251  -1.080   8.726
  178    HG2  MET 564           HG2      MET 564  55.464  -0.849   9.298
  179    HG3  MET 564           HG1      MET 564  55.684  -1.954   7.944
  180    HE1  MET 564           HE1      MET 564  57.696   0.115   9.307
  181    HE2  MET 564           HE2      MET 564  58.577   0.774   7.932
  182    HE3  MET 564           HE3      MET 564  58.246  -0.954   8.009
  183    H    ALA 565           HN       ALA 565  52.262  -2.822   4.816
  184    HA   ALA 565           HA       ALA 565  50.075  -2.670   3.944
  185    HB1  ALA 565           HB1      ALA 565  49.551  -2.027   6.499
  186    HB2  ALA 565           HB2      ALA 565  48.350  -1.811   5.226
  187    HB3  ALA 565           HB3      ALA 565  49.304  -0.436   5.779
  188    H    LYS 566           HN       LYS 566  52.333  -0.206   4.435
  189    HA   LYS 566           HA       LYS 566  51.077   1.802   2.712
  190    HB2  LYS 566           HB2      LYS 566  53.716   1.523   4.129
  191    HB3  LYS 566           HB1      LYS 566  53.457   2.803   2.947
  192    HG2  LYS 566           HG2      LYS 566  51.370   2.389   5.046
  193    HG3  LYS 566           HG1      LYS 566  52.877   3.162   5.517
  194    HD2  LYS 566           HD2      LYS 566  52.592   4.888   3.831
  195    HD3  LYS 566           HD1      LYS 566  51.169   4.066   3.187
  196    HE2  LYS 566           HE2      LYS 566  50.240   5.729   4.572
  197    HE3  LYS 566           HE1      LYS 566  50.216   4.289   5.592
  198    HZ1  LYS 566           HZ1      LYS 566  51.111   6.275   6.718
  199    HZ2  LYS 566           HZ2      LYS 566  52.388   6.313   5.599
  200    HZ3  LYS 566           HZ3      LYS 566  52.222   4.995   6.657
  201    H    LYS 567           HN       LYS 567  51.461   2.020   0.521
  202    HA   LYS 567           HA       LYS 567  53.155  -0.051  -0.750
  203    HB2  LYS 567           HB2      LYS 567  50.968   1.772  -1.716
  204    HB3  LYS 567           HB1      LYS 567  52.071   1.023  -2.868
  205    HG2  LYS 567           HG2      LYS 567  49.999  -0.328  -2.467
  206    HG3  LYS 567           HG1      LYS 567  51.486  -1.193  -2.075
  207    HD2  LYS 567           HD2      LYS 567  51.170  -0.925   0.257
  208    HD3  LYS 567           HD1      LYS 567  49.983   0.363   0.032
  209    HE2  LYS 567           HE2      LYS 567  48.276  -1.102  -0.493
  210    HE3  LYS 567           HE1      LYS 567  49.379  -2.310  -1.149
  211    HZ1  LYS 567           HZ1      LYS 567  49.866  -3.127   0.915
  212    HZ2  LYS 567           HZ2      LYS 567  48.249  -2.664   1.155
  213    HZ3  LYS 567           HZ3      LYS 567  49.512  -1.671   1.711
  214    H    PHE 568           HN       PHE 568  54.452   0.717  -2.673
  215    HA   PHE 568           HA       PHE 568  55.397   3.511  -2.605
  216    HB2  PHE 568           HB2      PHE 568  57.105   1.169  -1.711
  217    HB3  PHE 568           HB1      PHE 568  57.806   2.670  -2.303
  218    HD1  PHE 568           HD1      PHE 568  57.534   4.775  -1.029
  219    HD2  PHE 568           HD2      PHE 568  56.012   1.038   0.447
  220    HE1  PHE 568           HE1      PHE 568  57.303   5.760   1.234
  221    HE2  PHE 568           HE2      PHE 568  55.776   2.027   2.707
  222    HZ   PHE 568           HZ       PHE 568  56.423   4.387   3.102
  223    H    HIS 569           HN       HIS 569  56.259   4.038  -4.641
  224    HA   HIS 569           HA       HIS 569  55.925   2.238  -6.831
  225    HB2  HIS 569           HB2      HIS 569  57.532   4.762  -6.447
  226    HB3  HIS 569           HB1      HIS 569  57.732   3.816  -7.917
  227    HD2  HIS 569           HD2      HIS 569  54.983   3.320  -9.176
  228    HE1  HIS 569           HE1      HIS 569  53.662   7.106  -7.848
  229    HE2  HIS 569           HE2      HIS 569  53.171   5.173  -9.431
  230    HA   PRO 570           HA       PRO 570  59.231  -0.628  -6.035
  231    HB2  PRO 570           HB2      PRO 570  59.676  -0.629  -8.956
  232    HB3  PRO 570           HB1      PRO 570  59.239  -1.961  -7.880
  233    HG2  PRO 570           HG2      PRO 570  57.489  -0.755  -9.644
  234    HG3  PRO 570           HG1      PRO 570  57.005  -1.656  -8.208
  235    HD2  PRO 570           HD2      PRO 570  56.858   1.235  -8.708
  236    HD3  PRO 570           HD1      PRO 570  56.074   0.272  -7.429
  237    H    GLU 571           HN       GLU 571  59.624   2.431  -7.388
  238    HA   GLU 571           HA       GLU 571  62.603   2.230  -7.277
  239    HB2  GLU 571           HB2      GLU 571  62.693   4.037  -8.892
  240    HB3  GLU 571           HB1      GLU 571  61.639   2.773  -9.529
  241    HG2  GLU 571           HG2      GLU 571  59.805   4.221  -8.185
  242    HG3  GLU 571           HG1      GLU 571  60.955   5.497  -8.564
  243    H    HIS 572           HN       HIS 572  59.814   3.568  -5.824
  244    HA   HIS 572           HA       HIS 572  61.370   5.823  -4.640
  245    HB2  HIS 572           HB2      HIS 572  58.389   5.249  -4.637
  246    HB3  HIS 572           HB1      HIS 572  59.143   6.611  -3.809
  247    HD2  HIS 572           HD2      HIS 572  61.322   6.858  -6.577
  248    HE1  HIS 572           HE1      HIS 572  57.785   8.335  -8.336
  249    HE2  HIS 572           HE2      HIS 572  60.310   8.177  -8.573
  250    H    PHE 573           HN       PHE 573  60.381   2.662  -3.965
  251    HA   PHE 573           HA       PHE 573  60.052   2.954  -1.084
  252    HB2  PHE 573           HB2      PHE 573  59.082   1.035  -2.373
  253    HB3  PHE 573           HB1      PHE 573  60.719   0.483  -2.714
  254    HD1  PHE 573           HD1      PHE 573  58.945   1.774   0.343
  255    HD2  PHE 573           HD2      PHE 573  61.332  -1.340  -1.401
  256    HE1  PHE 573           HE1      PHE 573  59.005   0.600   2.524
  257    HE2  PHE 573           HE2      PHE 573  61.393  -2.515   0.781
  258    HZ   PHE 573           HZ       PHE 573  60.228  -1.545   2.743
  259    H    VAL 574           HN       VAL 574  61.940   4.130  -0.505
  260    HA   VAL 574           HA       VAL 574  64.518   2.681  -0.894
  261    HB   VAL 574           HB       VAL 574  65.604   4.847  -0.432
  262   HG11  VAL 574          HG11      VAL 574  64.301   4.107  -2.728
  263   HG12  VAL 574          HG12      VAL 574  65.339   5.526  -2.590
  264   HG13  VAL 574          HG13      VAL 574  63.591   5.693  -2.424
  265   HG21  VAL 574          HG21      VAL 574  63.969   5.815   1.096
  266   HG22  VAL 574          HG22      VAL 574  62.740   5.822  -0.169
  267   HG23  VAL 574          HG23      VAL 574  64.142   6.885  -0.295
  268    H    CYS 575           HN       CYS 575  66.100   3.118   0.981
  269    HA   CYS 575           HA       CYS 575  64.897   2.091   3.425
  270    HB2  CYS 575           HB2      CYS 575  67.087   1.304   2.848
  271    HB3  CYS 575           HB1      CYS 575  67.700   2.943   2.666
  272    H    ALA 576           HN       ALA 576  64.247   3.276   5.175
  273    HA   ALA 576           HA       ALA 576  64.248   6.174   5.056
  274    HB1  ALA 576           HB1      ALA 576  63.344   5.969   7.413
  275    HB2  ALA 576           HB2      ALA 576  63.545   4.223   7.266
  276    HB3  ALA 576           HB3      ALA 576  62.431   5.075   6.198
  277    H    PHE 577           HN       PHE 577  66.909   5.072   4.923
  278    HA   PHE 577           HA       PHE 577  68.116   6.472   7.252
  279    HB2  PHE 577           HB2      PHE 577  68.047   3.851   7.450
  280    HB3  PHE 577           HB1      PHE 577  69.341   3.909   6.256
  281    HD1  PHE 577           HD1      PHE 577  68.332   4.964   9.670
  282    HD2  PHE 577           HD2      PHE 577  71.543   4.689   6.827
  283    HE1  PHE 577           HE1      PHE 577  69.961   5.508  11.457
  284    HE2  PHE 577           HE2      PHE 577  73.171   5.235   8.616
  285    HZ   PHE 577           HZ       PHE 577  72.381   5.644  10.930
  286    H    CYS 578           HN       CYS 578  69.116   4.596   4.385
  287    HA   CYS 578           HA       CYS 578  71.023   6.764   3.680
  288    HB2  CYS 578           HB2      CYS 578  71.681   5.033   1.876
  289    HB3  CYS 578           HB1      CYS 578  72.063   4.636   3.549
  290    H    LEU 579           HN       LEU 579  67.949   5.493   2.825
  291    HA   LEU 579           HA       LEU 579  66.420   6.027   1.143
  292    HB2  LEU 579           HB2      LEU 579  68.062   8.579   1.073
  293    HB3  LEU 579           HB1      LEU 579  66.449   8.378   0.389
  294    HG   LEU 579           HG       LEU 579  66.094   7.456   2.961
  295   HD11  LEU 579          HD11      LEU 579  67.203   8.904   4.492
  296   HD12  LEU 579          HD12      LEU 579  67.794   9.945   3.197
  297   HD13  LEU 579          HD13      LEU 579  68.464   8.328   3.402
  298   HD21  LEU 579          HD21      LEU 579  64.590   8.971   1.761
  299   HD22  LEU 579          HD22      LEU 579  65.769  10.277   1.885
  300   HD23  LEU 579          HD23      LEU 579  64.982   9.658   3.337
  301    H    LYS 580           HN       LYS 580  69.204   4.878   0.401
  302    HA   LYS 580           HA       LYS 580  69.762   5.898  -2.255
  303    HB2  LYS 580           HB2      LYS 580  71.199   3.903  -2.478
  304    HB3  LYS 580           HB1      LYS 580  71.470   4.697  -0.928
  305    HG2  LYS 580           HG2      LYS 580  69.687   3.046  -0.006
  306    HG3  LYS 580           HG1      LYS 580  69.972   2.139  -1.491
  307    HD2  LYS 580           HD2      LYS 580  72.521   2.835  -0.419
  308    HD3  LYS 580           HD1      LYS 580  71.550   2.177   0.899
  309    HE2  LYS 580           HE2      LYS 580  72.636   0.311  -0.154
  310    HE3  LYS 580           HE1      LYS 580  70.943   0.259  -0.644
  311    HZ1  LYS 580           HZ1      LYS 580  73.315   0.941  -2.215
  312    HZ2  LYS 580           HZ2      LYS 580  71.864   1.741  -2.587
  313    HZ3  LYS 580           HZ3      LYS 580  71.945   0.046  -2.659
  314    H    GLN 581           HN       GLN 581  68.220   2.895  -1.097
  315    HA   GLN 581           HA       GLN 581  66.066   2.931  -2.933
  316    HB2  GLN 581           HB2      GLN 581  68.461   2.228  -4.218
  317    HB3  GLN 581           HB1      GLN 581  67.669   0.691  -3.894
  318    HG2  GLN 581           HG2      GLN 581  65.733   2.625  -4.823
  319    HG3  GLN 581           HG1      GLN 581  67.070   2.514  -5.966
  320   HE21  GLN 581          HE21      GLN 581  64.406   0.739  -4.504
  321   HE22  GLN 581          HE22      GLN 581  64.505  -0.615  -5.519
  322    H    LEU 582           HN       LEU 582  64.869   0.797  -2.802
  323    HA   LEU 582           HA       LEU 582  65.882  -1.150  -0.883
  324    HB2  LEU 582           HB2      LEU 582  64.891   0.974   0.353
  325    HB3  LEU 582           HB1      LEU 582  63.354   0.189   0.003
  326    HG   LEU 582           HG       LEU 582  64.326  -1.914   1.019
  327   HD11  LEU 582          HD11      LEU 582  66.213  -0.818   2.756
  328   HD12  LEU 582          HD12      LEU 582  66.630  -0.141   1.184
  329   HD13  LEU 582          HD13      LEU 582  66.548  -1.889   1.397
  330   HD21  LEU 582          HD21      LEU 582  62.832  -0.929   2.474
  331   HD22  LEU 582          HD22      LEU 582  63.681   0.615   2.461
  332   HD23  LEU 582          HD23      LEU 582  64.306  -0.726   3.422
  333    H    ASN 583           HN       ASN 583  64.413  -2.963  -0.599
  334    HA   ASN 583           HA       ASN 583  62.054  -3.086  -2.370
  335    HB2  ASN 583           HB2      ASN 583  62.906  -5.213  -3.401
  336    HB3  ASN 583           HB1      ASN 583  63.831  -3.790  -3.874
  337   HD21  ASN 583          HD21      ASN 583  63.990  -6.845  -2.172
  338   HD22  ASN 583          HD22      ASN 583  65.633  -6.751  -1.753
  339    H    LYS 584           HN       LYS 584  60.487  -4.224  -1.330
  340    HA   LYS 584           HA       LYS 584  60.718  -5.219   1.288
  341    HB2  LYS 584           HB2      LYS 584  58.519  -4.864   0.529
  342    HB3  LYS 584           HB1      LYS 584  58.795  -5.751  -0.967
  343    HG2  LYS 584           HG2      LYS 584  57.391  -7.093   0.499
  344    HG3  LYS 584           HG1      LYS 584  58.969  -7.862   0.359
  345    HD2  LYS 584           HD2      LYS 584  58.508  -7.932   2.677
  346    HD3  LYS 584           HD1      LYS 584  59.585  -6.549   2.503
  347    HE2  LYS 584           HE2      LYS 584  57.731  -5.891   3.923
  348    HE3  LYS 584           HE1      LYS 584  57.557  -5.066   2.375
  349    HZ1  LYS 584           HZ1      LYS 584  55.547  -5.958   2.252
  350    HZ2  LYS 584           HZ2      LYS 584  55.816  -6.931   3.619
  351    HZ3  LYS 584           HZ3      LYS 584  56.273  -7.482   2.079
  352    H    GLY 585           HN       GLY 585  61.562  -6.712  -1.734
  353    HA2  GLY 585           HA2      GLY 585  61.517  -9.446  -1.102
  354    HA3  GLY 585           HA1      GLY 585  62.674  -8.712  -2.204
  355    H    THR 586           HN       THR 586  63.903  -7.002  -0.122
  356    HA   THR 586           HA       THR 586  64.985  -8.981   1.803
  357    HB   THR 586           HB       THR 586  67.332  -8.474   1.129
  358    HG1  THR 586           HG1      THR 586  67.578  -7.478  -0.933
  359   HG21  THR 586          HG21      THR 586  65.671  -9.532  -1.177
  360   HG22  THR 586          HG22      THR 586  66.084 -10.475   0.256
  361   HG23  THR 586          HG23      THR 586  67.358  -9.907  -0.824
  362    H    PHE 587           HN       PHE 587  63.448  -6.470   2.108
  363    HA   PHE 587           HA       PHE 587  65.511  -4.668   3.271
  364    HB2  PHE 587           HB2      PHE 587  64.042  -2.938   3.020
  365    HB3  PHE 587           HB1      PHE 587  63.295  -4.000   1.843
  366    HD1  PHE 587           HD1      PHE 587  61.796  -5.951   3.242
  367    HD2  PHE 587           HD2      PHE 587  62.472  -1.856   4.350
  368    HE1  PHE 587           HE1      PHE 587  59.725  -5.975   4.603
  369    HE2  PHE 587           HE2      PHE 587  60.397  -1.881   5.706
  370    HZ   PHE 587           HZ       PHE 587  59.025  -3.941   5.834
  371    H    LYS 588           HN       LYS 588  64.570  -3.580   5.358
  372    HA   LYS 588           HA       LYS 588  63.305  -5.546   7.179
  373    HB2  LYS 588           HB2      LYS 588  66.045  -4.310   7.487
  374    HB3  LYS 588           HB1      LYS 588  65.108  -4.777   8.904
  375    HG2  LYS 588           HG2      LYS 588  65.672  -6.686   6.620
  376    HG3  LYS 588           HG1      LYS 588  66.737  -6.529   8.016
  377    HD2  LYS 588           HD2      LYS 588  65.419  -7.984   9.115
  378    HD3  LYS 588           HD1      LYS 588  64.144  -6.766   9.093
  379    HE2  LYS 588           HE2      LYS 588  63.278  -7.616   7.003
  380    HE3  LYS 588           HE1      LYS 588  64.647  -8.711   6.825
  381    HZ1  LYS 588           HZ1      LYS 588  62.706  -8.807   9.068
  382    HZ2  LYS 588           HZ2      LYS 588  63.949  -9.920   8.749
  383    HZ3  LYS 588           HZ3      LYS 588  62.625  -9.795   7.692
  384    H    GLU 589           HN       GLU 589  62.854  -4.249   9.361
  385    HA   GLU 589           HA       GLU 589  62.571  -1.357   8.820
  386    HB2  GLU 589           HB2      GLU 589  60.262  -1.254   8.945
  387    HB3  GLU 589           HB1      GLU 589  60.470  -2.791   8.107
  388    HG2  GLU 589           HG2      GLU 589  60.460  -3.860  10.459
  389    HG3  GLU 589           HG1      GLU 589  59.817  -2.315  11.018
  390    H    GLN 590           HN       GLN 590  62.173  -0.109  10.683
  391    HA   GLN 590           HA       GLN 590  62.094  -1.359  13.328
  392    HB2  GLN 590           HB2      GLN 590  64.549  -1.350  12.576
  393    HB3  GLN 590           HB1      GLN 590  64.453   0.407  12.630
  394    HG2  GLN 590           HG2      GLN 590  65.300  -0.241  14.755
  395    HG3  GLN 590           HG1      GLN 590  63.604   0.151  15.029
  396   HE21  GLN 590          HE21      GLN 590  64.872  -2.835  13.515
  397   HE22  GLN 590          HE22      GLN 590  64.283  -3.883  14.713
  398    H    ASN 591           HN       ASN 591  61.492   0.228  14.920
  399    HA   ASN 591           HA       ASN 591  60.373   2.169  15.613
  400    HB2  ASN 591           HB2      ASN 591  62.400   3.290  13.666
  401    HB3  ASN 591           HB1      ASN 591  61.343   4.313  14.630
  402   HD21  ASN 591          HD21      ASN 591  64.380   2.907  14.646
  403   HD22  ASN 591          HD22      ASN 591  64.660   2.885  16.320
  404    H    ASP 592           HN       ASP 592  59.519   0.682  13.017
  405    HA   ASP 592           HA       ASP 592  57.584   0.886  11.684
  406    HB2  ASP 592           HB2      ASP 592  56.937   2.584  13.608
  407    HB3  ASP 592           HB1      ASP 592  57.289   3.789  12.365
  408    H    LYS 593           HN       LYS 593  60.304   1.465  10.768
  409    HA   LYS 593           HA       LYS 593  59.551   2.973   8.340
  410    HB2  LYS 593           HB2      LYS 593  62.162   3.868   8.846
  411    HB3  LYS 593           HB1      LYS 593  60.685   4.820   8.940
  412    HG2  LYS 593           HG2      LYS 593  60.501   3.796  11.356
  413    HG3  LYS 593           HG1      LYS 593  62.224   3.504  11.156
  414    HD2  LYS 593           HD2      LYS 593  62.040   5.649  12.189
  415    HD3  LYS 593           HD1      LYS 593  62.439   5.956  10.499
  416    HE2  LYS 593           HE2      LYS 593  60.542   7.368  11.505
  417    HE3  LYS 593           HE1      LYS 593  60.200   6.570   9.971
  418    HZ1  LYS 593           HZ1      LYS 593  58.548   6.390  11.964
  419    HZ2  LYS 593           HZ2      LYS 593  59.596   5.151  12.468
  420    HZ3  LYS 593           HZ3      LYS 593  58.826   5.055  10.956
  421    HA   PRO 594           HA       PRO 594  61.807  -0.305   6.443
  422    HB2  PRO 594           HB2      PRO 594  62.662   0.999   4.176
  423    HB3  PRO 594           HB1      PRO 594  61.023   0.385   4.422
  424    HG2  PRO 594           HG2      PRO 594  62.042   3.178   4.601
  425    HG3  PRO 594           HG1      PRO 594  60.469   2.588   4.059
  426    HD2  PRO 594           HD2      PRO 594  60.918   3.738   6.541
  427    HD3  PRO 594           HD1      PRO 594  59.590   2.601   6.199
  428    H    TYR 595           HN       TYR 595  63.876  -1.059   5.987
  429    HA   TYR 595           HA       TYR 595  66.223   0.683   6.028
  430    HB2  TYR 595           HB2      TYR 595  65.616  -1.208   8.331
  431    HB3  TYR 595           HB1      TYR 595  67.218  -0.554   8.011
  432    HD1  TYR 595           HD1      TYR 595  64.353  -0.088   9.925
  433    HD2  TYR 595           HD2      TYR 595  67.157   2.128   7.549
  434    HE1  TYR 595           HE1      TYR 595  63.754   1.982  11.147
  435    HE2  TYR 595           HE2      TYR 595  66.554   4.200   8.772
  436    HH   TYR 595           HH       TYR 595  64.810   5.108  10.095
  437    H    CYS 596           HN       CYS 596  67.594  -0.324   4.567
  438    HA   CYS 596           HA       CYS 596  67.067  -2.822   3.382
  439    HB2  CYS 596           HB2      CYS 596  69.942  -2.125   3.687
  440    HB3  CYS 596           HB1      CYS 596  69.038  -2.541   2.235
  441    H    GLN 597           HN       GLN 597  67.741  -4.934   3.855
  442    HA   GLN 597           HA       GLN 597  67.945  -5.752   6.525
  443    HB2  GLN 597           HB2      GLN 597  67.624  -7.618   5.245
  444    HB3  GLN 597           HB1      GLN 597  68.487  -6.920   3.880
  445    HG2  GLN 597           HG2      GLN 597  69.686  -8.890   4.706
  446    HG3  GLN 597           HG1      GLN 597  70.644  -7.441   4.989
  447   HE21  GLN 597          HE21      GLN 597  67.931  -7.685   7.111
  448   HE22  GLN 597          HE22      GLN 597  68.765  -8.269   8.468
  449    H    ASN 598           HN       ASN 598  70.476  -4.777   4.276
  450    HA   ASN 598           HA       ASN 598  72.715  -5.373   5.987
  451    HB2  ASN 598           HB2      ASN 598  72.907  -4.966   3.533
  452    HB3  ASN 598           HB1      ASN 598  72.468  -3.281   3.801
  453   HD21  ASN 598          HD21      ASN 598  73.959  -2.230   5.650
  454   HD22  ASN 598          HD22      ASN 598  75.616  -2.563   5.499
  455    H    CYS 599           HN       CYS 599  70.628  -2.551   5.531
  456    HA   CYS 599           HA       CYS 599  72.085  -0.827   7.353
  457    HB2  CYS 599           HB2      CYS 599  69.381  -0.777   6.046
  458    HB3  CYS 599           HB1      CYS 599  69.656   0.270   7.433
  459    H    PHE 600           HN       PHE 600  68.938  -2.527   7.681
  460    HA   PHE 600           HA       PHE 600  68.519  -2.197  10.439
  461    HB2  PHE 600           HB2      PHE 600  66.832  -3.279   9.122
  462    HB3  PHE 600           HB1      PHE 600  67.951  -4.522   8.579
  463    HD1  PHE 600           HD1      PHE 600  68.754  -6.274  10.172
  464    HD2  PHE 600           HD2      PHE 600  65.691  -3.454  11.233
  465    HE1  PHE 600           HE1      PHE 600  68.080  -7.720  12.069
  466    HE2  PHE 600           HE2      PHE 600  65.019  -4.902  13.130
  467    HZ   PHE 600           HZ       PHE 600  66.212  -7.034  13.548
  468    H    LEU 601           HN       LEU 601  70.425  -4.661   8.757
  469    HA   LEU 601           HA       LEU 601  71.362  -6.110  11.018
  470    HB2  LEU 601           HB2      LEU 601  71.641  -6.907   8.723
  471    HB3  LEU 601           HB1      LEU 601  72.651  -5.521   8.334
  472    HG   LEU 601           HG       LEU 601  74.211  -6.343  10.208
  473   HD11  LEU 601          HD11      LEU 601  72.503  -8.814   9.778
  474   HD12  LEU 601          HD12      LEU 601  72.649  -7.897  11.276
  475   HD13  LEU 601          HD13      LEU 601  74.035  -8.791  10.652
  476   HD21  LEU 601          HD21      LEU 601  73.722  -7.648   7.549
  477   HD22  LEU 601          HD22      LEU 601  74.988  -8.289   8.600
  478   HD23  LEU 601          HD23      LEU 601  75.057  -6.613   8.054
  479    H    LYS 602           HN       LYS 602  72.225  -3.043   9.641
  480    HA   LYS 602           HA       LYS 602  74.670  -2.723  11.249
  481    HB2  LYS 602           HB2      LYS 602  73.856  -1.739   8.818
  482    HB3  LYS 602           HB1      LYS 602  73.511  -0.379   9.877
  483    HG2  LYS 602           HG2      LYS 602  75.755  -0.081   9.135
  484    HG3  LYS 602           HG1      LYS 602  75.864  -0.652  10.799
  485    HD2  LYS 602           HD2      LYS 602  77.454  -1.954   9.591
  486    HD3  LYS 602           HD1      LYS 602  76.064  -3.015   9.816
  487    HE2  LYS 602           HE2      LYS 602  75.356  -2.763   7.581
  488    HE3  LYS 602           HE1      LYS 602  76.329  -1.312   7.342
  489    HZ1  LYS 602           HZ1      LYS 602  78.319  -2.626   7.473
  490    HZ2  LYS 602           HZ2      LYS 602  77.294  -3.294   6.294
  491    HZ3  LYS 602           HZ3      LYS 602  77.430  -4.027   7.821
  492    H    LEU 603           HN       LEU 603  71.344  -1.473  11.151
  493    HA   LEU 603           HA       LEU 603  71.828   0.336  13.405
  494    HB2  LEU 603           HB2      LEU 603  69.082  -0.397  12.434
  495    HB3  LEU 603           HB1      LEU 603  69.666   1.143  13.047
  496    HG   LEU 603           HG       LEU 603  70.294  -0.089  10.358
  497   HD11  LEU 603          HD11      LEU 603  68.078   0.979  10.555
  498   HD12  LEU 603          HD12      LEU 603  69.140   1.902   9.493
  499   HD13  LEU 603          HD13      LEU 603  68.847   2.454  11.142
  500   HD21  LEU 603          HD21      LEU 603  72.301   1.022  11.113
  501   HD22  LEU 603          HD22      LEU 603  71.374   2.403  11.701
  502   HD23  LEU 603          HD23      LEU 603  71.504   2.100   9.968
  503    H    PHE 604           HN       PHE 604  69.677  -2.464  12.875
  504    HA   PHE 604           HA       PHE 604  69.071  -2.738  15.687
  505    HB2  PHE 604           HB2      PHE 604  67.714  -3.560  13.636
  506    HB3  PHE 604           HB1      PHE 604  68.793  -4.953  13.663
  507    HD1  PHE 604           HD1      PHE 604  66.516  -2.941  15.850
  508    HD2  PHE 604           HD2      PHE 604  68.392  -6.742  15.145
  509    HE1  PHE 604           HE1      PHE 604  65.182  -3.940  17.685
  510    HE2  PHE 604           HE2      PHE 604  67.057  -7.740  16.981
  511    HZ   PHE 604           HZ       PHE 604  65.453  -6.340  18.251
  512    H    CYS 605           HN       CYS 605  71.667  -3.833  13.672
  513    HA   CYS 605           HA       CYS 605  72.798  -5.279  16.013
  514    HB2  CYS 605           HB2      CYS 605  71.597  -6.811  14.236
  515    HB3  CYS 605           HB1      CYS 605  73.062  -6.533  13.295
  516    HG   CYS 605           HG       CYS 605  74.335  -7.392  15.598
  Start of MODEL   12
    1    H    TYR 541           HT1      TYR 541  49.387  10.687 -13.600
    2    HA   TYR 541           HA       TYR 541  46.867  11.116 -14.499
    3    HB2  TYR 541           HB2      TYR 541  48.600   8.627 -14.592
    4    HB3  TYR 541           HB1      TYR 541  47.204   8.900 -15.635
    5    HD1  TYR 541           HD1      TYR 541  50.705   9.626 -15.072
    6    HD2  TYR 541           HD2      TYR 541  47.185  10.930 -17.161
    7    HE1  TYR 541           HE1      TYR 541  52.115  10.959 -16.616
    8    HE2  TYR 541           HE2      TYR 541  48.596  12.263 -18.705
    9    HH   TYR 541           HH       TYR 541  51.442  11.888 -19.376
   10    H    HIS 542           HN       HIS 542  45.418   8.854 -14.760
   11    HA   HIS 542           HA       HIS 542  44.737   8.002 -11.976
   12    HB2  HIS 542           HB2      HIS 542  42.309   7.995 -12.840
   13    HB3  HIS 542           HB1      HIS 542  43.029   9.564 -12.500
   14    HD1  HIS 542           HD1      HIS 542  44.212  10.717 -14.727
   15    HD2  HIS 542           HD2      HIS 542  41.280   7.831 -15.400
   16    HE1  HIS 542           HE1      HIS 542  43.440  11.024 -17.120
   17    H    GLU 543           HN       GLU 543  43.779   7.297 -15.327
   18    HA   GLU 543           HA       GLU 543  43.505   5.260 -16.450
   19    HB2  GLU 543           HB2      GLU 543  45.735   4.373 -14.589
   20    HB3  GLU 543           HB1      GLU 543  45.276   3.606 -16.109
   21    HG2  GLU 543           HG2      GLU 543  46.622   5.016 -17.232
   22    HG3  GLU 543           HG1      GLU 543  45.696   6.389 -16.626
   23    H    ARG 544           HN       ARG 544  44.574   3.205 -13.927
   24    HA   ARG 544           HA       ARG 544  41.732   2.585 -13.220
   25    HB2  ARG 544           HB2      ARG 544  44.121   0.766 -13.576
   26    HB3  ARG 544           HB1      ARG 544  42.630   0.245 -12.792
   27    HG2  ARG 544           HG2      ARG 544  42.761   1.424 -15.583
   28    HG3  ARG 544           HG1      ARG 544  42.711  -0.300 -15.235
   29    HD2  ARG 544           HD2      ARG 544  40.454   0.013 -15.446
   30    HD3  ARG 544           HD1      ARG 544  40.594   0.509 -13.759
   31    HE   ARG 544           HE       ARG 544  41.067   2.843 -15.183
   32   HH11  ARG 544          HH11      ARG 544  39.428   4.274 -15.760
   33   HH12  ARG 544          HH12      ARG 544  37.802   3.697 -15.914
   34   HH21  ARG 544          HH21      ARG 544  38.598   0.429 -15.090
   35   HH22  ARG 544          HH22      ARG 544  37.333   1.524 -15.535
   36    H    ARG 545           HN       ARG 545  41.916   1.083 -11.054
   37    HA   ARG 545           HA       ARG 545  43.250   2.845  -9.069
   38    HB2  ARG 545           HB2      ARG 545  41.426   0.542  -8.406
   39    HB3  ARG 545           HB1      ARG 545  41.731   2.010  -7.479
   40    HG2  ARG 545           HG2      ARG 545  40.710   3.272  -9.471
   41    HG3  ARG 545           HG1      ARG 545  40.117   1.701 -10.006
   42    HD2  ARG 545           HD2      ARG 545  39.142   1.432  -7.661
   43    HD3  ARG 545           HD1      ARG 545  39.484   3.141  -7.422
   44    HE   ARG 545           HE       ARG 545  37.213   2.080  -8.768
   45   HH11  ARG 545          HH11      ARG 545  36.044   3.182 -10.326
   46   HH12  ARG 545          HH12      ARG 545  36.723   4.588 -11.074
   47   HH21  ARG 545          HH21      ARG 545  39.668   4.464  -9.268
   48   HH22  ARG 545          HH22      ARG 545  38.769   5.306 -10.483
   49    H    GLY 546           HN       GLY 546  43.021   0.359  -7.222
   50    HA2  GLY 546           HA2      GLY 546  44.289  -1.836  -7.362
   51    HA3  GLY 546           HA1      GLY 546  45.566  -0.903  -8.139
   52    H    SER 547           HN       SER 547  47.048   0.139  -6.848
   53    HA   SER 547           HA       SER 547  46.444   0.523  -3.966
   54    HB2  SER 547           HB2      SER 547  48.193  -1.540  -5.046
   55    HB3  SER 547           HB1      SER 547  49.077  -0.443  -3.992
   56    HG   SER 547           HG       SER 547  46.583  -1.629  -3.331
   57    H    LEU 548           HN       LEU 548  47.010   2.601  -3.534
   58    HA   LEU 548           HA       LEU 548  48.660   4.135  -5.346
   59    HB2  LEU 548           HB2      LEU 548  47.324   4.663  -2.715
   60    HB3  LEU 548           HB1      LEU 548  48.562   5.780  -3.277
   61    HG   LEU 548           HG       LEU 548  47.348   6.161  -5.354
   62   HD11  LEU 548          HD11      LEU 548  45.004   5.138  -5.522
   63   HD12  LEU 548          HD12      LEU 548  45.524   4.010  -4.270
   64   HD13  LEU 548          HD13      LEU 548  46.359   4.052  -5.822
   65   HD21  LEU 548          HD21      LEU 548  45.425   6.297  -3.011
   66   HD22  LEU 548          HD22      LEU 548  45.397   7.306  -4.457
   67   HD23  LEU 548          HD23      LEU 548  46.719   7.460  -3.301
   68    H    CYS 549           HN       CYS 549  50.809   4.648  -5.182
   69    HA   CYS 549           HA       CYS 549  52.466   3.078  -3.361
   70    HB2  CYS 549           HB2      CYS 549  53.640   3.344  -5.321
   71    HB3  CYS 549           HB1      CYS 549  52.896   4.899  -5.678
   72    H    SER 550           HN       SER 550  52.554   3.758  -1.268
   73    HA   SER 550           HA       SER 550  51.830   6.289  -0.312
   74    HB2  SER 550           HB2      SER 550  53.937   4.435   0.829
   75    HB3  SER 550           HB1      SER 550  53.196   5.775   1.695
   76    HG   SER 550           HG       SER 550  52.102   3.329   0.855
   77    H    GLY 551           HN       GLY 551  52.638   8.153  -0.988
   78    HA2  GLY 551           HA2      GLY 551  54.669   9.669  -0.785
   79    HA3  GLY 551           HA1      GLY 551  55.565   8.365  -1.581
   80    H    CYS 552           HN       CYS 552  53.282   7.657  -3.292
   81    HA   CYS 552           HA       CYS 552  53.522   9.876  -5.282
   82    HB2  CYS 552           HB2      CYS 552  53.296   6.908  -5.457
   83    HB3  CYS 552           HB1      CYS 552  52.502   7.846  -6.720
   84    H    GLN 553           HN       GLN 553  51.279   7.903  -3.449
   85    HA   GLN 553           HA       GLN 553  48.960   8.026  -3.181
   86    HB2  GLN 553           HB2      GLN 553  49.492  10.832  -4.212
   87    HB3  GLN 553           HB1      GLN 553  47.931  10.290  -3.600
   88    HG2  GLN 553           HG2      GLN 553  48.956  11.276  -1.717
   89    HG3  GLN 553           HG1      GLN 553  49.232   9.552  -1.488
   90   HE21  GLN 553          HE21      GLN 553  51.278   9.502  -0.492
   91   HE22  GLN 553          HE22      GLN 553  52.669  10.233  -1.134
   92    H    LYS 554           HN       LYS 554  50.185   7.102  -5.698
   93    HA   LYS 554           HA       LYS 554  47.788   7.385  -7.448
   94    HB2  LYS 554           HB2      LYS 554  50.704   7.511  -8.285
   95    HB3  LYS 554           HB1      LYS 554  49.375   7.276  -9.420
   96    HG2  LYS 554           HG2      LYS 554  49.611   9.640  -7.533
   97    HG3  LYS 554           HG1      LYS 554  50.088   9.669  -9.229
   98    HD2  LYS 554           HD2      LYS 554  47.680   8.834  -9.707
   99    HD3  LYS 554           HD1      LYS 554  47.326   9.359  -8.062
  100    HE2  LYS 554           HE2      LYS 554  48.106  11.626  -8.594
  101    HE3  LYS 554           HE1      LYS 554  48.518  11.114 -10.231
  102    HZ1  LYS 554           HZ1      LYS 554  45.802  11.072  -9.029
  103    HZ2  LYS 554           HZ2      LYS 554  46.194  10.554 -10.600
  104    HZ3  LYS 554           HZ3      LYS 554  46.363  12.191 -10.174
  105    HA   PRO 555           HA       PRO 555  47.651   2.986  -7.165
  106    HB2  PRO 555           HB2      PRO 555  47.212   2.915 -10.071
  107    HB3  PRO 555           HB1      PRO 555  46.174   2.355  -8.754
  108    HG2  PRO 555           HG2      PRO 555  45.779   4.668 -10.264
  109    HG3  PRO 555           HG1      PRO 555  45.011   4.311  -8.715
  110    HD2  PRO 555           HD2      PRO 555  47.021   6.331  -9.312
  111    HD3  PRO 555           HD1      PRO 555  46.148   6.056  -7.783
  112    H    ILE 556           HN       ILE 556  48.857   1.140  -7.689
  113    HA   ILE 556           HA       ILE 556  51.437   1.689  -9.080
  114    HB   ILE 556           HB       ILE 556  50.636  -0.328  -6.962
  115   HG12  ILE 556          HG12      ILE 556  52.814   1.747  -6.754
  116   HG13  ILE 556          HG11      ILE 556  51.137   2.211  -6.484
  117   HG21  ILE 556          HG21      ILE 556  53.191  -0.767  -7.002
  118   HG22  ILE 556          HG22      ILE 556  53.159  -0.022  -8.600
  119   HG23  ILE 556          HG23      ILE 556  52.224  -1.484  -8.291
  120   HD11  ILE 556          HD11      ILE 556  51.360  -0.104  -4.990
  121   HD12  ILE 556          HD12      ILE 556  51.475   1.535  -4.349
  122   HD13  ILE 556          HD13      ILE 556  52.939   0.649  -4.772
  123    H    THR 557           HN       THR 557  50.792   1.193 -11.209
  124    HA   THR 557           HA       THR 557  49.345  -1.280 -11.797
  125    HB   THR 557           HB       THR 557  49.785  -0.585 -14.194
  126    HG1  THR 557           HG1      THR 557  51.589   0.605 -14.090
  127   HG21  THR 557          HG21      THR 557  47.724   0.092 -13.126
  128   HG22  THR 557          HG22      THR 557  48.350   1.477 -14.021
  129   HG23  THR 557          HG23      THR 557  48.542   1.399 -12.270
  130    H    GLY 558           HN       GLY 558  50.824  -2.835 -10.898
  131    HA2  GLY 558           HA2      GLY 558  52.313  -4.443 -12.394
  132    HA3  GLY 558           HA1      GLY 558  53.467  -3.117 -12.215
  133    H    ARG 559           HN       ARG 559  54.909  -4.465 -10.960
  134    HA   ARG 559           HA       ARG 559  54.166  -5.924  -8.637
  135    HB2  ARG 559           HB2      ARG 559  56.682  -4.718  -9.690
  136    HB3  ARG 559           HB1      ARG 559  56.654  -5.098  -7.970
  137    HG2  ARG 559           HG2      ARG 559  55.541  -7.217  -9.690
  138    HG3  ARG 559           HG1      ARG 559  57.256  -6.903  -9.952
  139    HD2  ARG 559           HD2      ARG 559  57.180  -6.887  -7.240
  140    HD3  ARG 559           HD1      ARG 559  55.876  -8.022  -7.570
  141    HE   ARG 559           HE       ARG 559  58.610  -8.671  -7.674
  142   HH11  ARG 559          HH11      ARG 559  59.493 -10.285  -8.952
  143   HH12  ARG 559          HH12      ARG 559  58.603 -10.890 -10.309
  144   HH21  ARG 559          HH21      ARG 559  55.881  -8.823  -9.797
  145   HH22  ARG 559          HH22      ARG 559  56.570 -10.062 -10.787
  146    H    CYS 560           HN       CYS 560  54.359  -5.268  -6.361
  147    HA   CYS 560           HA       CYS 560  54.502  -2.383  -5.806
  148    HB2  CYS 560           HB2      CYS 560  52.283  -2.179  -4.906
  149    HB3  CYS 560           HB1      CYS 560  52.123  -2.856  -6.525
  150    HG   CYS 560           HG       CYS 560  52.295  -5.125  -4.579
  151    H    ILE 561           HN       ILE 561  55.220  -2.010  -3.776
  152    HA   ILE 561           HA       ILE 561  55.792  -4.365  -2.077
  153    HB   ILE 561           HB       ILE 561  56.540  -1.532  -1.383
  154   HG12  ILE 561          HG12      ILE 561  57.122  -1.872  -3.788
  155   HG13  ILE 561          HG11      ILE 561  58.551  -1.726  -2.774
  156   HG21  ILE 561          HG21      ILE 561  57.258  -2.933   0.309
  157   HG22  ILE 561          HG22      ILE 561  58.666  -2.994  -0.753
  158   HG23  ILE 561          HG23      ILE 561  57.487  -4.303  -0.777
  159   HD11  ILE 561          HD11      ILE 561  58.800  -3.584  -4.374
  160   HD12  ILE 561          HD12      ILE 561  57.338  -4.334  -3.736
  161   HD13  ILE 561          HD13      ILE 561  58.769  -4.186  -2.717
  162    H    THR 562           HN       THR 562  55.122  -4.433   0.149
  163    HA   THR 562           HA       THR 562  52.915  -2.545   0.859
  164    HB   THR 562           HB       THR 562  52.937  -5.545   1.320
  165    HG1  THR 562           HG1      THR 562  52.461  -4.732  -0.838
  166   HG21  THR 562          HG21      THR 562  50.487  -4.937   1.981
  167   HG22  THR 562          HG22      THR 562  51.128  -3.309   2.207
  168   HG23  THR 562          HG23      THR 562  51.775  -4.650   3.152
  169    H    ALA 563           HN       ALA 563  53.888  -1.392   2.458
  170    HA   ALA 563           HA       ALA 563  55.650  -2.753   4.401
  171    HB1  ALA 563           HB1      ALA 563  56.211  -0.500   3.413
  172    HB2  ALA 563           HB2      ALA 563  56.199  -0.529   5.177
  173    HB3  ALA 563           HB3      ALA 563  54.836   0.163   4.296
  174    H    MET 564           HN       MET 564  54.453  -0.375   6.197
  175    HA   MET 564           HA       MET 564  52.789  -2.133   7.802
  176    HB2  MET 564           HB2      MET 564  53.259   0.858   7.922
  177    HB3  MET 564           HB1      MET 564  52.389  -0.061   9.147
  178    HG2  MET 564           HG2      MET 564  54.414  -1.454   9.514
  179    HG3  MET 564           HG1      MET 564  55.283  -0.470   8.335
  180    HE1  MET 564           HE1      MET 564  55.558  -1.308  11.396
  181    HE2  MET 564           HE2      MET 564  56.029   0.091  12.357
  182    HE3  MET 564           HE3      MET 564  56.946  -0.323  10.911
  183    H    ALA 565           HN       ALA 565  51.552  -2.407   5.578
  184    HA   ALA 565           HA       ALA 565  49.381  -2.299   4.663
  185    HB1  ALA 565           HB1      ALA 565  47.664  -1.278   5.826
  186    HB2  ALA 565           HB2      ALA 565  48.638   0.133   6.237
  187    HB3  ALA 565           HB3      ALA 565  48.851  -1.376   7.126
  188    H    LYS 566           HN       LYS 566  51.715   0.119   4.826
  189    HA   LYS 566           HA       LYS 566  50.445   1.904   2.844
  190    HB2  LYS 566           HB2      LYS 566  52.829   1.975   4.609
  191    HB3  LYS 566           HB1      LYS 566  53.023   2.769   3.048
  192    HG2  LYS 566           HG2      LYS 566  50.902   4.035   3.491
  193    HG3  LYS 566           HG1      LYS 566  50.866   3.326   5.106
  194    HD2  LYS 566           HD2      LYS 566  53.265   4.851   4.072
  195    HD3  LYS 566           HD1      LYS 566  51.934   5.649   4.909
  196    HE2  LYS 566           HE2      LYS 566  52.709   4.971   6.913
  197    HE3  LYS 566           HE1      LYS 566  52.757   3.292   6.374
  198    HZ1  LYS 566           HZ1      LYS 566  54.935   4.531   7.026
  199    HZ2  LYS 566           HZ2      LYS 566  54.835   5.146   5.445
  200    HZ3  LYS 566           HZ3      LYS 566  54.921   3.469   5.703
  201    H    LYS 567           HN       LYS 567  50.850   1.748   0.667
  202    HA   LYS 567           HA       LYS 567  52.652  -0.423  -0.219
  203    HB2  LYS 567           HB2      LYS 567  50.436   1.146  -1.507
  204    HB3  LYS 567           HB1      LYS 567  51.590   0.264  -2.506
  205    HG2  LYS 567           HG2      LYS 567  49.572  -1.095  -1.952
  206    HG3  LYS 567           HG1      LYS 567  51.064  -1.817  -1.349
  207    HD2  LYS 567           HD2      LYS 567  50.615  -1.192   0.880
  208    HD3  LYS 567           HD1      LYS 567  49.433   0.027   0.393
  209    HE2  LYS 567           HE2      LYS 567  47.789  -1.577  -0.101
  210    HE3  LYS 567           HE1      LYS 567  48.970  -2.878  -0.233
  211    HZ1  LYS 567           HZ1      LYS 567  47.535  -2.694   1.882
  212    HZ2  LYS 567           HZ2      LYS 567  48.616  -1.458   2.322
  213    HZ3  LYS 567           HZ3      LYS 567  49.189  -3.033   2.041
  214    H    PHE 568           HN       PHE 568  53.924   0.086  -2.274
  215    HA   PHE 568           HA       PHE 568  54.826   2.876  -2.590
  216    HB2  PHE 568           HB2      PHE 568  56.605   0.697  -1.445
  217    HB3  PHE 568           HB1      PHE 568  57.240   2.163  -2.179
  218    HD1  PHE 568           HD1      PHE 568  55.475   0.735   0.710
  219    HD2  PHE 568           HD2      PHE 568  56.940   4.350  -1.091
  220    HE1  PHE 568           HE1      PHE 568  55.218   1.918   2.874
  221    HE2  PHE 568           HE2      PHE 568  56.678   5.533   1.073
  222    HZ   PHE 568           HZ       PHE 568  55.818   4.317   3.055
  223    H    HIS 569           HN       HIS 569  55.587   3.130  -4.710
  224    HA   HIS 569           HA       HIS 569  55.318   1.014  -6.607
  225    HB2  HIS 569           HB2      HIS 569  56.831   3.629  -6.628
  226    HB3  HIS 569           HB1      HIS 569  57.014   2.491  -7.958
  227    HD2  HIS 569           HD2      HIS 569  54.243   1.744  -9.031
  228    HE1  HIS 569           HE1      HIS 569  52.843   5.641  -8.197
  229    HE2  HIS 569           HE2      HIS 569  52.365   3.493  -9.477
  230    HA   PRO 570           HA       PRO 570  58.770  -1.540  -5.420
  231    HB2  PRO 570           HB2      PRO 570  59.141  -1.995  -8.321
  232    HB3  PRO 570           HB1      PRO 570  58.828  -3.158  -7.028
  233    HG2  PRO 570           HG2      PRO 570  56.945  -2.390  -8.879
  234    HG3  PRO 570           HG1      PRO 570  56.563  -3.021  -7.277
  235    HD2  PRO 570           HD2      PRO 570  56.263  -0.276  -8.305
  236    HD3  PRO 570           HD1      PRO 570  55.541  -1.022  -6.857
  237    H    GLU 571           HN       GLU 571  58.972   1.217  -7.397
  238    HA   GLU 571           HA       GLU 571  61.957   1.188  -7.344
  239    HB2  GLU 571           HB2      GLU 571  61.883   2.759  -9.175
  240    HB3  GLU 571           HB1      GLU 571  60.813   1.416  -9.580
  241    HG2  GLU 571           HG2      GLU 571  59.062   3.017  -8.275
  242    HG3  GLU 571           HG1      GLU 571  60.149   4.231  -8.936
  243    H    HIS 572           HN       HIS 572  59.152   2.626  -5.973
  244    HA   HIS 572           HA       HIS 572  60.688   5.028  -5.096
  245    HB2  HIS 572           HB2      HIS 572  57.723   4.390  -4.926
  246    HB3  HIS 572           HB1      HIS 572  58.468   5.860  -4.297
  247    HD2  HIS 572           HD2      HIS 572  60.556   5.848  -7.130
  248    HE1  HIS 572           HE1      HIS 572  56.927   6.958  -8.967
  249    HE2  HIS 572           HE2      HIS 572  59.450   6.869  -9.246
  250    H    PHE 573           HN       PHE 573  59.730   1.946  -4.039
  251    HA   PHE 573           HA       PHE 573  59.542   2.553  -1.196
  252    HB2  PHE 573           HB2      PHE 573  58.513   0.510  -2.221
  253    HB3  PHE 573           HB1      PHE 573  60.131  -0.082  -2.583
  254    HD1  PHE 573           HD1      PHE 573  58.482   1.512   0.402
  255    HD2  PHE 573           HD2      PHE 573  60.839  -1.742  -1.116
  256    HE1  PHE 573           HE1      PHE 573  58.654   0.570   2.687
  257    HE2  PHE 573           HE2      PHE 573  61.013  -2.683   1.170
  258    HZ   PHE 573           HZ       PHE 573  59.919  -1.527   3.072
  259    H    VAL 574           HN       VAL 574  61.457   3.777  -0.845
  260    HA   VAL 574           HA       VAL 574  64.017   2.299  -1.230
  261    HB   VAL 574           HB       VAL 574  65.113   4.496  -1.017
  262   HG11  VAL 574          HG11      VAL 574  63.743   3.560  -3.171
  263   HG12  VAL 574          HG12      VAL 574  64.693   5.045  -3.198
  264   HG13  VAL 574          HG13      VAL 574  62.949   5.119  -2.951
  265   HG21  VAL 574          HG21      VAL 574  63.559   5.585   0.518
  266   HG22  VAL 574          HG22      VAL 574  62.263   5.490  -0.674
  267   HG23  VAL 574          HG23      VAL 574  63.652   6.537  -0.964
  268    H    CYS 575           HN       CYS 575  65.697   2.902   0.508
  269    HA   CYS 575           HA       CYS 575  64.638   2.083   3.095
  270    HB2  CYS 575           HB2      CYS 575  66.790   1.241   2.460
  271    HB3  CYS 575           HB1      CYS 575  67.391   2.856   2.107
  272    H    ALA 576           HN       ALA 576  64.098   3.411   4.777
  273    HA   ALA 576           HA       ALA 576  64.092   6.290   4.415
  274    HB1  ALA 576           HB1      ALA 576  63.521   4.545   6.828
  275    HB2  ALA 576           HB2      ALA 576  62.341   5.279   5.742
  276    HB3  ALA 576           HB3      ALA 576  63.304   6.295   6.813
  277    H    PHE 577           HN       PHE 577  66.736   5.223   4.198
  278    HA   PHE 577           HA       PHE 577  68.073   6.779   6.347
  279    HB2  PHE 577           HB2      PHE 577  68.026   4.176   6.752
  280    HB3  PHE 577           HB1      PHE 577  69.255   4.146   5.492
  281    HD1  PHE 577           HD1      PHE 577  71.498   4.598   6.023
  282    HD2  PHE 577           HD2      PHE 577  68.396   5.836   8.726
  283    HE1  PHE 577           HE1      PHE 577  73.212   5.285   7.677
  284    HE2  PHE 577           HE2      PHE 577  70.110   6.522  10.379
  285    HZ   PHE 577           HZ       PHE 577  72.519   6.246   9.855
  286    H    CYS 578           HN       CYS 578  68.867   4.694   3.563
  287    HA   CYS 578           HA       CYS 578  70.730   6.796   2.578
  288    HB2  CYS 578           HB2      CYS 578  71.286   4.900   0.891
  289    HB3  CYS 578           HB1      CYS 578  71.808   4.695   2.562
  290    H    LEU 579           HN       LEU 579  67.632   5.426   2.013
  291    HA   LEU 579           HA       LEU 579  66.006   5.793   0.377
  292    HB2  LEU 579           HB2      LEU 579  67.611   8.338  -0.023
  293    HB3  LEU 579           HB1      LEU 579  65.964   8.063  -0.590
  294    HG   LEU 579           HG       LEU 579  65.758   7.387   2.069
  295   HD11  LEU 579          HD11      LEU 579  68.113   8.235   2.386
  296   HD12  LEU 579          HD12      LEU 579  66.910   9.058   3.377
  297   HD13  LEU 579          HD13      LEU 579  67.537   9.836   1.924
  298   HD21  LEU 579          HD21      LEU 579  64.192   8.797   0.814
  299   HD22  LEU 579          HD22      LEU 579  65.373  10.106   0.773
  300   HD23  LEU 579          HD23      LEU 579  64.659   9.610   2.308
  301    H    LYS 580           HN       LYS 580  68.747   4.588  -0.403
  302    HA   LYS 580           HA       LYS 580  69.161   5.359  -3.169
  303    HB2  LYS 580           HB2      LYS 580  70.604   3.357  -3.277
  304    HB3  LYS 580           HB1      LYS 580  70.949   4.301  -1.828
  305    HG2  LYS 580           HG2      LYS 580  69.219   2.736  -0.667
  306    HG3  LYS 580           HG1      LYS 580  69.467   1.685  -2.061
  307    HD2  LYS 580           HD2      LYS 580  72.045   2.494  -1.203
  308    HD3  LYS 580           HD1      LYS 580  71.152   2.041   0.248
  309    HE2  LYS 580           HE2      LYS 580  72.215   0.048  -0.616
  310    HE3  LYS 580           HE1      LYS 580  70.482  -0.089  -0.912
  311    HZ1  LYS 580           HZ1      LYS 580  72.474  -0.293  -2.780
  312    HZ2  LYS 580           HZ2      LYS 580  71.816   1.251  -3.044
  313    HZ3  LYS 580           HZ3      LYS 580  70.816  -0.122  -3.093
  314    H    GLN 581           HN       GLN 581  67.713   2.466  -1.657
  315    HA   GLN 581           HA       GLN 581  65.475   2.314  -3.391
  316    HB2  GLN 581           HB2      GLN 581  67.808   1.520  -4.716
  317    HB3  GLN 581           HB1      GLN 581  67.089   0.005  -4.184
  318    HG2  GLN 581           HG2      GLN 581  65.033   1.755  -5.210
  319    HG3  GLN 581           HG1      GLN 581  66.318   1.578  -6.404
  320   HE21  GLN 581          HE21      GLN 581  63.816  -0.147  -4.623
  321   HE22  GLN 581          HE22      GLN 581  63.929  -1.593  -5.502
  322    H    LEU 582           HN       LEU 582  64.274   0.240  -2.962
  323    HA   LEU 582           HA       LEU 582  65.396  -1.526  -0.922
  324    HB2  LEU 582           HB2      LEU 582  64.449   0.711   0.143
  325    HB3  LEU 582           HB1      LEU 582  62.905  -0.114  -0.049
  326    HG   LEU 582           HG       LEU 582  63.948  -2.101   1.117
  327   HD11  LEU 582          HD11      LEU 582  66.237  -0.305   0.989
  328   HD12  LEU 582          HD12      LEU 582  66.187  -2.026   1.367
  329   HD13  LEU 582          HD13      LEU 582  65.911  -0.835   2.636
  330   HD21  LEU 582          HD21      LEU 582  62.524  -0.989   2.549
  331   HD22  LEU 582          HD22      LEU 582  63.349   0.554   2.333
  332   HD23  LEU 582          HD23      LEU 582  64.043  -0.677   3.389
  333    H    ASN 583           HN       ASN 583  63.974  -3.314  -0.414
  334    HA   ASN 583           HA       ASN 583  61.520  -3.607  -2.030
  335    HB2  ASN 583           HB2      ASN 583  62.302  -5.756  -2.981
  336    HB3  ASN 583           HB1      ASN 583  63.304  -4.414  -3.526
  337   HD21  ASN 583          HD21      ASN 583  65.387  -4.071  -2.205
  338   HD22  ASN 583          HD22      ASN 583  66.155  -5.448  -1.574
  339    H    LYS 584           HN       LYS 584  60.024  -4.654  -0.804
  340    HA   LYS 584           HA       LYS 584  60.403  -5.404   1.875
  341    HB2  LYS 584           HB2      LYS 584  58.164  -5.142   1.177
  342    HB3  LYS 584           HB1      LYS 584  58.380  -6.200  -0.213
  343    HG2  LYS 584           HG2      LYS 584  57.081  -7.391   1.449
  344    HG3  LYS 584           HG1      LYS 584  58.679  -8.127   1.376
  345    HD2  LYS 584           HD2      LYS 584  58.065  -7.843   3.709
  346    HD3  LYS 584           HD1      LYS 584  59.360  -6.709   3.330
  347    HE2  LYS 584           HE2      LYS 584  57.957  -4.862   3.420
  348    HE3  LYS 584           HE1      LYS 584  56.527  -5.797   2.984
  349    HZ1  LYS 584           HZ1      LYS 584  57.383  -5.083   5.531
  350    HZ2  LYS 584           HZ2      LYS 584  57.576  -6.767   5.410
  351    HZ3  LYS 584           HZ3      LYS 584  56.059  -6.059   5.117
  352    H    GLY 585           HN       GLY 585  61.070  -7.193  -1.041
  353    HA2  GLY 585           HA2      GLY 585  61.142  -9.840  -0.081
  354    HA3  GLY 585           HA1      GLY 585  62.154  -9.234  -1.385
  355    H    THR 586           HN       THR 586  63.517  -7.246   0.367
  356    HA   THR 586           HA       THR 586  64.900  -9.003   2.322
  357    HB   THR 586           HB       THR 586  67.116  -8.474   1.377
  358    HG1  THR 586           HG1      THR 586  65.606  -7.301  -0.719
  359   HG21  THR 586          HG21      THR 586  65.876 -10.521   0.644
  360   HG22  THR 586          HG22      THR 586  66.988  -9.911  -0.581
  361   HG23  THR 586          HG23      THR 586  65.257  -9.609  -0.733
  362    H    PHE 587           HN       PHE 587  63.230  -6.585   2.635
  363    HA   PHE 587           HA       PHE 587  65.291  -4.610   3.497
  364    HB2  PHE 587           HB2      PHE 587  63.770  -2.949   3.161
  365    HB3  PHE 587           HB1      PHE 587  62.964  -4.131   2.151
  366    HD1  PHE 587           HD1      PHE 587  62.307  -1.778   4.536
  367    HD2  PHE 587           HD2      PHE 587  61.584  -5.948   3.796
  368    HE1  PHE 587           HE1      PHE 587  60.339  -1.704   6.041
  369    HE2  PHE 587           HE2      PHE 587  59.617  -5.872   5.304
  370    HZ   PHE 587           HZ       PHE 587  58.994  -3.751   6.425
  371    H    LYS 588           HN       LYS 588  64.466  -3.392   5.533
  372    HA   LYS 588           HA       LYS 588  63.338  -5.214   7.580
  373    HB2  LYS 588           HB2      LYS 588  66.040  -3.848   7.678
  374    HB3  LYS 588           HB1      LYS 588  65.207  -4.363   9.139
  375    HG2  LYS 588           HG2      LYS 588  65.958  -6.178   6.825
  376    HG3  LYS 588           HG1      LYS 588  66.836  -6.060   8.347
  377    HD2  LYS 588           HD2      LYS 588  64.020  -7.075   7.920
  378    HD3  LYS 588           HD1      LYS 588  65.405  -7.972   8.529
  379    HE2  LYS 588           HE2      LYS 588  65.467  -6.329  10.474
  380    HE3  LYS 588           HE1      LYS 588  63.898  -5.748   9.918
  381    HZ1  LYS 588           HZ1      LYS 588  63.608  -7.438  11.588
  382    HZ2  LYS 588           HZ2      LYS 588  64.563  -8.532  10.706
  383    HZ3  LYS 588           HZ3      LYS 588  63.060  -8.026  10.095
  384    H    GLU 589           HN       GLU 589  62.841  -3.809   9.613
  385    HA   GLU 589           HA       GLU 589  62.493  -0.955   8.868
  386    HB2  GLU 589           HB2      GLU 589  60.201  -0.917   9.228
  387    HB3  GLU 589           HB1      GLU 589  60.395  -2.508   8.494
  388    HG2  GLU 589           HG2      GLU 589  60.739  -3.286  10.994
  389    HG3  GLU 589           HG1      GLU 589  59.877  -1.790  11.364
  390    H    GLN 590           HN       GLN 590  62.366   0.460  10.618
  391    HA   GLN 590           HA       GLN 590  62.520  -0.552  13.369
  392    HB2  GLN 590           HB2      GLN 590  64.891  -0.608  12.398
  393    HB3  GLN 590           HB1      GLN 590  64.782   1.146  12.285
  394    HG2  GLN 590           HG2      GLN 590  65.835   0.709  14.375
  395    HG3  GLN 590           HG1      GLN 590  64.171   1.135  14.767
  396   HE21  GLN 590          HE21      GLN 590  65.315  -1.994  13.453
  397   HE22  GLN 590          HE22      GLN 590  64.841  -2.913  14.799
  398    H    ASN 591           HN       ASN 591  62.053   1.160  14.866
  399    HA   ASN 591           HA       ASN 591  60.972   3.142  15.494
  400    HB2  ASN 591           HB2      ASN 591  62.879   4.069  13.344
  401    HB3  ASN 591           HB1      ASN 591  61.839   5.200  14.204
  402   HD21  ASN 591          HD21      ASN 591  64.890   3.834  14.308
  403   HD22  ASN 591          HD22      ASN 591  65.214   4.018  15.964
  404    H    ASP 592           HN       ASP 592  59.902   1.464  13.095
  405    HA   ASP 592           HA       ASP 592  57.847   1.588  11.941
  406    HB2  ASP 592           HB2      ASP 592  57.450   3.501  13.765
  407    HB3  ASP 592           HB1      ASP 592  57.597   4.537  12.344
  408    H    LYS 593           HN       LYS 593  60.495   2.069  10.738
  409    HA   LYS 593           HA       LYS 593  59.513   3.315   8.246
  410    HB2  LYS 593           HB2      LYS 593  62.109   4.321   8.387
  411    HB3  LYS 593           HB1      LYS 593  60.626   5.246   8.597
  412    HG2  LYS 593           HG2      LYS 593  60.723   4.566  11.066
  413    HG3  LYS 593           HG1      LYS 593  62.364   4.019  10.739
  414    HD2  LYS 593           HD2      LYS 593  62.844   6.184  11.346
  415    HD3  LYS 593           HD1      LYS 593  62.534   6.454   9.631
  416    HE2  LYS 593           HE2      LYS 593  60.152   6.963  10.182
  417    HE3  LYS 593           HE1      LYS 593  60.544   6.801  11.894
  418    HZ1  LYS 593           HZ1      LYS 593  61.156   8.915  11.852
  419    HZ2  LYS 593           HZ2      LYS 593  60.969   9.006  10.166
  420    HZ3  LYS 593           HZ3      LYS 593  62.445   8.494  10.833
  421    HA   PRO 594           HA       PRO 594  61.731  -0.050   6.463
  422    HB2  PRO 594           HB2      PRO 594  62.455   1.076   4.063
  423    HB3  PRO 594           HB1      PRO 594  60.832   0.492   4.443
  424    HG2  PRO 594           HG2      PRO 594  61.863   3.286   4.355
  425    HG3  PRO 594           HG1      PRO 594  60.263   2.666   3.941
  426    HD2  PRO 594           HD2      PRO 594  60.849   3.994   6.307
  427    HD3  PRO 594           HD1      PRO 594  59.496   2.850   6.115
  428    H    TYR 595           HN       TYR 595  63.786  -0.820   5.905
  429    HA   TYR 595           HA       TYR 595  66.119   0.929   5.724
  430    HB2  TYR 595           HB2      TYR 595  65.629  -0.799   8.175
  431    HB3  TYR 595           HB1      TYR 595  67.222  -0.202   7.724
  432    HD1  TYR 595           HD1      TYR 595  67.247   2.429   7.140
  433    HD2  TYR 595           HD2      TYR 595  64.412   0.467   9.696
  434    HE1  TYR 595           HE1      TYR 595  66.748   4.592   8.249
  435    HE2  TYR 595           HE2      TYR 595  63.918   2.628  10.803
  436    HH   TYR 595           HH       TYR 595  65.855   5.403  10.372
  437    H    CYS 596           HN       CYS 596  67.460  -0.170   4.292
  438    HA   CYS 596           HA       CYS 596  66.872  -2.735   3.279
  439    HB2  CYS 596           HB2      CYS 596  69.752  -1.951   3.465
  440    HB3  CYS 596           HB1      CYS 596  68.860  -2.610   2.098
  441    H    GLN 597           HN       GLN 597  67.598  -4.810   3.830
  442    HA   GLN 597           HA       GLN 597  67.873  -5.458   6.545
  443    HB2  GLN 597           HB2      GLN 597  67.440  -7.363   5.335
  444    HB3  GLN 597           HB1      GLN 597  68.375  -6.798   3.953
  445    HG2  GLN 597           HG2      GLN 597  69.442  -8.767   4.970
  446    HG3  GLN 597           HG1      GLN 597  70.468  -7.347   5.144
  447   HE21  GLN 597          HE21      GLN 597  67.707  -7.283   7.228
  448   HE22  GLN 597          HE22      GLN 597  68.495  -7.780   8.645
  449    H    ASN 598           HN       ASN 598  70.328  -4.629   4.154
  450    HA   ASN 598           HA       ASN 598  72.612  -5.166   5.830
  451    HB2  ASN 598           HB2      ASN 598  72.806  -4.910   3.374
  452    HB3  ASN 598           HB1      ASN 598  72.310  -3.224   3.512
  453   HD21  ASN 598          HD21      ASN 598  74.866  -5.491   4.644
  454   HD22  ASN 598          HD22      ASN 598  76.070  -4.303   4.780
  455    H    CYS 599           HN       CYS 599  70.542  -2.348   5.258
  456    HA   CYS 599           HA       CYS 599  72.056  -0.513   6.897
  457    HB2  CYS 599           HB2      CYS 599  69.233  -0.581   5.838
  458    HB3  CYS 599           HB1      CYS 599  69.687   0.620   7.042
  459    H    PHE 600           HN       PHE 600  68.950  -2.202   7.538
  460    HA   PHE 600           HA       PHE 600  68.731  -1.701  10.296
  461    HB2  PHE 600           HB2      PHE 600  66.956  -2.855   9.154
  462    HB3  PHE 600           HB1      PHE 600  68.035  -4.145   8.640
  463    HD1  PHE 600           HD1      PHE 600  65.953  -2.855  11.344
  464    HD2  PHE 600           HD2      PHE 600  68.925  -5.780  10.307
  465    HE1  PHE 600           HE1      PHE 600  65.394  -4.151  13.383
  466    HE2  PHE 600           HE2      PHE 600  68.368  -7.069  12.349
  467    HZ   PHE 600           HZ       PHE 600  66.602  -6.256  13.886
  468    H    LEU 601           HN       LEU 601  70.499  -4.278   8.631
  469    HA   LEU 601           HA       LEU 601  71.601  -5.579  10.911
  470    HB2  LEU 601           HB2      LEU 601  71.678  -6.556   8.676
  471    HB3  LEU 601           HB1      LEU 601  72.651  -5.218   8.088
  472    HG   LEU 601           HG       LEU 601  74.371  -5.903   9.880
  473   HD11  LEU 601          HD11      LEU 601  72.907  -7.359  11.194
  474   HD12  LEU 601          HD12      LEU 601  74.230  -8.310  10.520
  475   HD13  LEU 601          HD13      LEU 601  72.627  -8.384   9.787
  476   HD21  LEU 601          HD21      LEU 601  74.689  -6.284   7.478
  477   HD22  LEU 601          HD22      LEU 601  73.717  -7.753   7.566
  478   HD23  LEU 601          HD23      LEU 601  75.276  -7.677   8.390
  479    H    LYS 602           HN       LYS 602  72.326  -2.606   9.298
  480    HA   LYS 602           HA       LYS 602  74.921  -2.217  10.648
  481    HB2  LYS 602           HB2      LYS 602  73.884  -1.363   8.238
  482    HB3  LYS 602           HB1      LYS 602  73.690   0.064   9.246
  483    HG2  LYS 602           HG2      LYS 602  75.849   0.283   8.314
  484    HG3  LYS 602           HG1      LYS 602  76.128  -0.303   9.953
  485    HD2  LYS 602           HD2      LYS 602  77.521  -1.656   8.575
  486    HD3  LYS 602           HD1      LYS 602  76.122  -2.666   8.938
  487    HE2  LYS 602           HE2      LYS 602  75.225  -2.425   6.790
  488    HE3  LYS 602           HE1      LYS 602  76.115  -0.936   6.477
  489    HZ1  LYS 602           HZ1      LYS 602  77.213  -3.689   6.609
  490    HZ2  LYS 602           HZ2      LYS 602  78.177  -2.292   6.532
  491    HZ3  LYS 602           HZ3      LYS 602  77.134  -2.679   5.248
  492    H    LEU 603           HN       LEU 603  71.605  -0.943  10.742
  493    HA   LEU 603           HA       LEU 603  72.272   0.999  12.835
  494    HB2  LEU 603           HB2      LEU 603  69.456   0.226  12.131
  495    HB3  LEU 603           HB1      LEU 603  70.088   1.795  12.603
  496    HG   LEU 603           HG       LEU 603  70.487   0.406   9.948
  497   HD11  LEU 603          HD11      LEU 603  68.306   1.502  10.246
  498   HD12  LEU 603          HD12      LEU 603  69.291   2.378   9.074
  499   HD13  LEU 603          HD13      LEU 603  69.119   2.996  10.717
  500   HD21  LEU 603          HD21      LEU 603  72.557   1.516  10.385
  501   HD22  LEU 603          HD22      LEU 603  71.740   2.905  11.103
  502   HD23  LEU 603          HD23      LEU 603  71.636   2.622   9.364
  503    H    PHE 604           HN       PHE 604  70.074  -1.808  12.644
  504    HA   PHE 604           HA       PHE 604  69.700  -1.913  15.509
  505    HB2  PHE 604           HB2      PHE 604  68.193  -2.828  13.572
  506    HB3  PHE 604           HB1      PHE 604  69.214  -4.260  13.698
  507    HD1  PHE 604           HD1      PHE 604  68.829  -5.859  15.389
  508    HD2  PHE 604           HD2      PHE 604  67.111  -1.938  15.742
  509    HE1  PHE 604           HE1      PHE 604  67.542  -6.601  17.374
  510    HE2  PHE 604           HE2      PHE 604  65.824  -2.680  17.727
  511    HZ   PHE 604           HZ       PHE 604  66.039  -5.012  18.543
  512    H    CYS 605           HN       CYS 605  72.121  -3.133  13.364
  513    HA   CYS 605           HA       CYS 605  73.405  -4.498  15.673
  514    HB2  CYS 605           HB2      CYS 605  72.039  -6.087  14.068
  515    HB3  CYS 605           HB1      CYS 605  73.438  -5.892  13.013
  516    HG   CYS 605           HG       CYS 605  74.864  -6.671  15.244
  Start of MODEL   13
    1    H    TYR 541           HT1      TYR 541  42.829  -5.666 -17.852
    2    HA   TYR 541           HA       TYR 541  41.544  -6.336 -15.264
    3    HB2  TYR 541           HB2      TYR 541  44.028  -4.711 -15.887
    4    HB3  TYR 541           HB1      TYR 541  43.163  -4.618 -14.352
    5    HD1  TYR 541           HD1      TYR 541  42.995  -6.626 -12.880
    6    HD2  TYR 541           HD2      TYR 541  45.410  -6.606 -16.434
    7    HE1  TYR 541           HE1      TYR 541  44.187  -8.649 -12.083
    8    HE2  TYR 541           HE2      TYR 541  46.601  -8.629 -15.635
    9    HH   TYR 541           HH       TYR 541  46.822  -9.613 -12.757
   10    H    HIS 542           HN       HIS 542  40.645  -4.310 -14.304
   11    HA   HIS 542           HA       HIS 542  39.229  -2.765 -16.342
   12    HB2  HIS 542           HB2      HIS 542  38.115  -1.696 -14.424
   13    HB3  HIS 542           HB1      HIS 542  38.121  -3.447 -14.233
   14    HD1  HIS 542           HD1      HIS 542  39.910  -0.347 -12.990
   15    HD2  HIS 542           HD2      HIS 542  39.530  -4.376 -11.991
   16    HE1  HIS 542           HE1      HIS 542  41.039  -0.638 -10.742
   17    H    GLU 543           HN       GLU 543  39.081  -0.227 -15.346
   18    HA   GLU 543           HA       GLU 543  41.899   0.751 -15.193
   19    HB2  GLU 543           HB2      GLU 543  39.717   1.691 -17.075
   20    HB3  GLU 543           HB1      GLU 543  41.167   2.637 -16.738
   21    HG2  GLU 543           HG2      GLU 543  42.587   0.825 -17.556
   22    HG3  GLU 543           HG1      GLU 543  41.177  -0.205 -17.801
   23    H    ARG 544           HN       ARG 544  42.059   1.928 -13.359
   24    HA   ARG 544           HA       ARG 544  39.877   3.815 -12.664
   25    HB2  ARG 544           HB2      ARG 544  40.075   1.365 -11.383
   26    HB3  ARG 544           HB1      ARG 544  40.950   2.447 -10.302
   27    HG2  ARG 544           HG2      ARG 544  38.226   3.142 -11.419
   28    HG3  ARG 544           HG1      ARG 544  38.427   2.255  -9.910
   29    HD2  ARG 544           HD2      ARG 544  38.361   4.428  -9.101
   30    HD3  ARG 544           HD1      ARG 544  40.096   4.235  -9.345
   31    HE   ARG 544           HE       ARG 544  39.178   5.226 -11.772
   32   HH11  ARG 544          HH11      ARG 544  39.085   7.427 -12.231
   33   HH12  ARG 544          HH12      ARG 544  38.964   8.567 -10.933
   34   HH21  ARG 544          HH21      ARG 544  38.976   6.152  -8.452
   35   HH22  ARG 544          HH22      ARG 544  38.902   7.846  -8.797
   36    H    ARG 545           HN       ARG 545  42.984   2.568 -11.369
   37    HA   ARG 545           HA       ARG 545  44.323   5.095 -11.783
   38    HB2  ARG 545           HB2      ARG 545  44.748   5.337  -9.213
   39    HB3  ARG 545           HB1      ARG 545  43.305   6.023  -9.928
   40    HG2  ARG 545           HG2      ARG 545  42.048   4.788  -8.523
   41    HG3  ARG 545           HG1      ARG 545  42.673   3.333  -9.291
   42    HD2  ARG 545           HD2      ARG 545  43.795   2.832  -7.418
   43    HD3  ARG 545           HD1      ARG 545  44.729   4.313  -7.592
   44    HE   ARG 545           HE       ARG 545  42.846   3.835  -5.548
   45   HH11  ARG 545          HH11      ARG 545  41.712   5.433  -4.465
   46   HH12  ARG 545          HH12      ARG 545  41.569   7.010  -5.166
   47   HH21  ARG 545          HH21      ARG 545  43.401   6.223  -7.989
   48   HH22  ARG 545          HH22      ARG 545  42.518   7.453  -7.154
   49    H    GLY 546           HN       GLY 546  44.621   2.766  -9.115
   50    HA2  GLY 546           HA2      GLY 546  46.315   0.859  -9.837
   51    HA3  GLY 546           HA1      GLY 546  47.378   2.253 -10.034
   52    H    SER 547           HN       SER 547  48.287   3.192  -8.230
   53    HA   SER 547           HA       SER 547  47.287   2.729  -5.537
   54    HB2  SER 547           HB2      SER 547  49.180   0.849  -6.678
   55    HB3  SER 547           HB1      SER 547  49.900   1.689  -5.308
   56    HG   SER 547           HG       SER 547  47.351   0.427  -5.329
   57    H    LEU 548           HN       LEU 548  47.811   4.609  -4.504
   58    HA   LEU 548           HA       LEU 548  49.686   6.473  -5.654
   59    HB2  LEU 548           HB2      LEU 548  48.054   6.390  -3.141
   60    HB3  LEU 548           HB1      LEU 548  49.345   7.575  -3.281
   61    HG   LEU 548           HG       LEU 548  48.375   8.467  -5.330
   62   HD11  LEU 548          HD11      LEU 548  46.439   6.173  -4.991
   63   HD12  LEU 548          HD12      LEU 548  47.441   6.557  -6.391
   64   HD13  LEU 548          HD13      LEU 548  46.062   7.578  -5.988
   65   HD21  LEU 548          HD21      LEU 548  46.217   8.102  -3.229
   66   HD22  LEU 548          HD22      LEU 548  46.323   9.411  -4.406
   67   HD23  LEU 548          HD23      LEU 548  47.525   9.280  -3.123
   68    H    CYS 549           HN       CYS 549  51.796   6.859  -5.135
   69    HA   CYS 549           HA       CYS 549  53.226   4.855  -3.559
   70    HB2  CYS 549           HB2      CYS 549  54.615   5.513  -5.270
   71    HB3  CYS 549           HB1      CYS 549  53.925   7.130  -5.347
   72    H    SER 550           HN       SER 550  53.115   5.044  -1.365
   73    HA   SER 550           HA       SER 550  52.299   7.319   0.054
   74    HB2  SER 550           HB2      SER 550  54.285   5.230   0.989
   75    HB3  SER 550           HB1      SER 550  53.387   6.328   2.029
   76    HG   SER 550           HG       SER 550  52.477   4.172   0.458
   77    H    GLY 551           HN       GLY 551  53.187   9.260  -0.120
   78    HA2  GLY 551           HA2      GLY 551  55.200  10.627   0.636
   79    HA3  GLY 551           HA1      GLY 551  56.161   9.509  -0.345
   80    H    CYS 552           HN       CYS 552  54.065   9.282  -2.392
   81    HA   CYS 552           HA       CYS 552  54.521  11.894  -3.776
   82    HB2  CYS 552           HB2      CYS 552  54.299   9.053  -4.670
   83    HB3  CYS 552           HB1      CYS 552  53.694  10.299  -5.760
   84    H    GLN 553           HN       GLN 553  52.093   9.614  -2.688
   85    HA   GLN 553           HA       GLN 553  49.757   9.722  -2.664
   86    HB2  GLN 553           HB2      GLN 553  50.408  12.674  -2.954
   87    HB3  GLN 553           HB1      GLN 553  48.781  12.055  -2.681
   88    HG2  GLN 553           HG2      GLN 553  49.591  12.578  -0.515
   89    HG3  GLN 553           HG1      GLN 553  49.764  10.831  -0.644
   90   HE21  GLN 553          HE21      GLN 553  51.668  10.385   0.509
   91   HE22  GLN 553          HE22      GLN 553  53.155  11.158   0.240
   92    H    LYS 554           HN       LYS 554  51.255   9.348  -5.165
   93    HA   LYS 554           HA       LYS 554  49.086  10.093  -7.073
   94    HB2  LYS 554           HB2      LYS 554  52.083  10.304  -7.514
   95    HB3  LYS 554           HB1      LYS 554  50.901  10.368  -8.820
   96    HG2  LYS 554           HG2      LYS 554  50.883  12.243  -6.438
   97    HG3  LYS 554           HG1      LYS 554  51.624  12.633  -7.989
   98    HD2  LYS 554           HD2      LYS 554  49.276  11.954  -8.964
   99    HD3  LYS 554           HD1      LYS 554  48.719  12.264  -7.320
  100    HE2  LYS 554           HE2      LYS 554  48.470  14.351  -8.402
  101    HE3  LYS 554           HE1      LYS 554  49.989  14.510  -7.520
  102    HZ1  LYS 554           HZ1      LYS 554  49.590  14.006 -10.407
  103    HZ2  LYS 554           HZ2      LYS 554  51.074  13.693  -9.643
  104    HZ3  LYS 554           HZ3      LYS 554  50.444  15.271  -9.668
  105    HA   PRO 555           HA       PRO 555  48.895   5.746  -7.813
  106    HB2  PRO 555           HB2      PRO 555  48.838   6.360 -10.692
  107    HB3  PRO 555           HB1      PRO 555  47.644   5.528  -9.687
  108    HG2  PRO 555           HG2      PRO 555  47.415   8.133 -10.646
  109    HG3  PRO 555           HG1      PRO 555  46.476   7.450  -9.316
  110    HD2  PRO 555           HD2      PRO 555  48.542   9.502  -9.204
  111    HD3  PRO 555           HD1      PRO 555  47.489   8.916  -7.891
  112    H    ILE 556           HN       ILE 556  50.166   4.035  -8.556
  113    HA   ILE 556           HA       ILE 556  52.903   4.802  -9.451
  114    HB   ILE 556           HB       ILE 556  51.819   2.388  -7.973
  115   HG12  ILE 556          HG12      ILE 556  53.971   4.275  -7.028
  116   HG13  ILE 556          HG11      ILE 556  52.279   4.738  -6.879
  117   HG21  ILE 556          HG21      ILE 556  54.560   2.964  -9.123
  118   HG22  ILE 556          HG22      ILE 556  53.563   1.530  -9.358
  119   HG23  ILE 556          HG23      ILE 556  54.323   1.829  -7.796
  120   HD11  ILE 556          HD11      ILE 556  53.815   2.770  -5.338
  121   HD12  ILE 556          HD12      ILE 556  52.279   2.138  -5.928
  122   HD13  ILE 556          HD13      ILE 556  52.309   3.589  -4.927
  123    H    THR 557           HN       THR 557  52.616   4.811 -11.695
  124    HA   THR 557           HA       THR 557  51.224   2.622 -13.046
  125    HB   THR 557           HB       THR 557  52.057   3.806 -15.124
  126    HG1  THR 557           HG1      THR 557  53.912   4.713 -14.140
  127   HG21  THR 557          HG21      THR 557  49.884   4.407 -14.391
  128   HG22  THR 557          HG22      THR 557  50.725   5.945 -14.582
  129   HG23  THR 557          HG23      THR 557  50.505   5.253 -12.974
  130    H    GLY 558           HN       GLY 558  52.303   0.703 -12.781
  131    HA2  GLY 558           HA2      GLY 558  54.036  -0.575 -14.177
  132    HA3  GLY 558           HA1      GLY 558  55.193   0.596 -13.535
  133    H    ARG 559           HN       ARG 559  56.395  -1.008 -12.374
  134    HA   ARG 559           HA       ARG 559  55.218  -2.906 -10.582
  135    HB2  ARG 559           HB2      ARG 559  57.943  -1.667 -10.874
  136    HB3  ARG 559           HB1      ARG 559  57.583  -2.616  -9.433
  137    HG2  ARG 559           HG2      ARG 559  56.723  -3.885 -11.952
  138    HG3  ARG 559           HG1      ARG 559  58.468  -3.672 -11.810
  139    HD2  ARG 559           HD2      ARG 559  58.481  -4.832  -9.666
  140    HD3  ARG 559           HD1      ARG 559  56.721  -4.956  -9.689
  141    HE   ARG 559           HE       ARG 559  57.504  -6.193 -12.043
  142   HH11  ARG 559          HH11      ARG 559  57.946  -8.398 -12.178
  143   HH12  ARG 559          HH12      ARG 559  58.434  -9.261 -10.758
  144   HH21  ARG 559          HH21      ARG 559  58.283  -6.487  -8.691
  145   HH22  ARG 559          HH22      ARG 559  58.624  -8.182  -8.788
  146    H    CYS 560           HN       CYS 560  55.283  -2.754  -8.165
  147    HA   CYS 560           HA       CYS 560  55.409  -0.042  -7.036
  148    HB2  CYS 560           HB2      CYS 560  53.121   0.038  -6.285
  149    HB3  CYS 560           HB1      CYS 560  53.096  -0.269  -8.021
  150    HG   CYS 560           HG       CYS 560  52.978  -2.790  -6.245
  151    H    ILE 561           HN       ILE 561  55.961  -0.108  -4.920
  152    HA   ILE 561           HA       ILE 561  56.344  -2.777  -3.699
  153    HB   ILE 561           HB       ILE 561  57.100  -0.173  -2.391
  154   HG12  ILE 561          HG12      ILE 561  57.860  -0.050  -4.768
  155   HG13  ILE 561          HG11      ILE 561  59.207  -0.158  -3.641
  156   HG21  ILE 561          HG21      ILE 561  57.584  -1.986  -0.997
  157   HG22  ILE 561          HG22      ILE 561  59.114  -1.752  -1.844
  158   HG23  ILE 561          HG23      ILE 561  58.017  -3.036  -2.347
  159   HD11  ILE 561          HD11      ILE 561  58.024  -2.474  -5.202
  160   HD12  ILE 561          HD12      ILE 561  59.363  -2.591  -4.061
  161   HD13  ILE 561          HD13      ILE 561  59.553  -1.670  -5.552
  162    H    THR 562           HN       THR 562  55.411  -3.345  -1.695
  163    HA   THR 562           HA       THR 562  53.242  -1.535  -0.708
  164    HB   THR 562           HB       THR 562  53.151  -4.562  -0.935
  165    HG1  THR 562           HG1      THR 562  52.834  -3.301  -2.878
  166   HG21  THR 562          HG21      THR 562  50.687  -4.042  -0.283
  167   HG22  THR 562          HG22      THR 562  51.332  -2.516   0.323
  168   HG23  THR 562          HG23      THR 562  51.905  -4.044   0.993
  169    H    ALA 563           HN       ALA 563  54.097  -0.811   1.181
  170    HA   ALA 563           HA       ALA 563  55.707  -2.630   2.865
  171    HB1  ALA 563           HB1      ALA 563  56.380  -0.239   2.440
  172    HB2  ALA 563           HB2      ALA 563  56.254  -0.656   4.149
  173    HB3  ALA 563           HB3      ALA 563  54.967   0.263   3.368
  174    H    MET 564           HN       MET 564  54.466  -0.669   5.074
  175    HA   MET 564           HA       MET 564  52.691  -2.669   6.186
  176    HB2  MET 564           HB2      MET 564  53.107   0.233   6.959
  177    HB3  MET 564           HB1      MET 564  52.294  -0.980   7.944
  178    HG2  MET 564           HG2      MET 564  54.313  -2.236   8.231
  179    HG3  MET 564           HG1      MET 564  55.144  -1.311   6.981
  180    HE1  MET 564           HE1      MET 564  56.924  -1.105   8.090
  181    HE2  MET 564           HE2      MET 564  57.183  -0.625   9.764
  182    HE3  MET 564           HE3      MET 564  57.211   0.593   8.493
  183    H    ALA 565           HN       ALA 565  51.563  -2.457   3.896
  184    HA   ALA 565           HA       ALA 565  49.445  -2.117   2.917
  185    HB1  ALA 565           HB1      ALA 565  48.802  -1.727   5.495
  186    HB2  ALA 565           HB2      ALA 565  47.679  -1.345   4.191
  187    HB3  ALA 565           HB3      ALA 565  48.635  -0.063   4.932
  188    H    LYS 566           HN       LYS 566  51.778   0.177   3.706
  189    HA   LYS 566           HA       LYS 566  50.615   2.353   2.077
  190    HB2  LYS 566           HB2      LYS 566  52.850   2.043   3.988
  191    HB3  LYS 566           HB1      LYS 566  53.189   3.112   2.628
  192    HG2  LYS 566           HG2      LYS 566  51.115   4.376   3.115
  193    HG3  LYS 566           HG1      LYS 566  50.808   3.323   4.496
  194    HD2  LYS 566           HD2      LYS 566  53.371   4.903   4.192
  195    HD3  LYS 566           HD1      LYS 566  51.955   5.538   5.030
  196    HE2  LYS 566           HE2      LYS 566  52.877   4.540   6.860
  197    HE3  LYS 566           HE1      LYS 566  52.172   3.071   6.186
  198    HZ1  LYS 566           HZ1      LYS 566  54.376   2.505   6.501
  199    HZ2  LYS 566           HZ2      LYS 566  54.956   4.030   6.030
  200    HZ3  LYS 566           HZ3      LYS 566  54.354   2.950   4.865
  201    H    LYS 567           HN       LYS 567  51.212   2.721  -0.040
  202    HA   LYS 567           HA       LYS 567  53.027   0.737  -1.273
  203    HB2  LYS 567           HB2      LYS 567  50.969   2.662  -2.323
  204    HB3  LYS 567           HB1      LYS 567  52.176   1.976  -3.409
  205    HG2  LYS 567           HG2      LYS 567  50.063   0.635  -3.320
  206    HG3  LYS 567           HG1      LYS 567  51.490  -0.281  -2.833
  207    HD2  LYS 567           HD2      LYS 567  50.924  -0.186  -0.543
  208    HD3  LYS 567           HD1      LYS 567  49.809   1.162  -0.785
  209    HE2  LYS 567           HE2      LYS 567  48.135  -0.196  -1.666
  210    HE3  LYS 567           HE1      LYS 567  49.274  -1.442  -2.173
  211    HZ1  LYS 567           HZ1      LYS 567  47.796  -1.768  -0.065
  212    HZ2  LYS 567           HZ2      LYS 567  49.011  -0.848   0.688
  213    HZ3  LYS 567           HZ3      LYS 567  49.402  -2.313  -0.081
  214    H    PHE 568           HN       PHE 568  54.485   1.653  -3.046
  215    HA   PHE 568           HA       PHE 568  55.473   4.400  -2.626
  216    HB2  PHE 568           HB2      PHE 568  57.077   1.943  -1.852
  217    HB3  PHE 568           HB1      PHE 568  57.830   3.492  -2.206
  218    HD1  PHE 568           HD1      PHE 568  57.483   5.431  -0.716
  219    HD2  PHE 568           HD2      PHE 568  55.789   1.584   0.173
  220    HE1  PHE 568           HE1      PHE 568  57.073   6.150   1.622
  221    HE2  PHE 568           HE2      PHE 568  55.375   2.306   2.508
  222    HZ   PHE 568           HZ       PHE 568  56.019   4.588   3.234
  223    H    HIS 569           HN       HIS 569  56.472   5.103  -4.538
  224    HA   HIS 569           HA       HIS 569  56.319   3.510  -6.904
  225    HB2  HIS 569           HB2      HIS 569  57.890   5.980  -6.164
  226    HB3  HIS 569           HB1      HIS 569  58.194   5.175  -7.699
  227    HD2  HIS 569           HD2      HIS 569  55.539   4.819  -9.189
  228    HE1  HIS 569           HE1      HIS 569  54.133   8.474  -7.608
  229    HE2  HIS 569           HE2      HIS 569  53.753   6.703  -9.396
  230    HA   PRO 570           HA       PRO 570  59.545   0.555  -6.098
  231    HB2  PRO 570           HB2      PRO 570  60.221   0.850  -8.968
  232    HB3  PRO 570           HB1      PRO 570  59.749  -0.592  -8.061
  233    HG2  PRO 570           HG2      PRO 570  58.082   0.706  -9.815
  234    HG3  PRO 570           HG1      PRO 570  57.523  -0.278  -8.461
  235    HD2  PRO 570           HD2      PRO 570  57.414   2.650  -8.790
  236    HD3  PRO 570           HD1      PRO 570  56.516   1.608  -7.658
  237    H    GLU 571           HN       GLU 571  60.077   3.720  -7.195
  238    HA   GLU 571           HA       GLU 571  63.029   3.459  -6.801
  239    HB2  GLU 571           HB2      GLU 571  63.232   5.518  -8.154
  240    HB3  GLU 571           HB1      GLU 571  62.420   4.239  -9.059
  241    HG2  GLU 571           HG2      GLU 571  60.248   5.210  -8.605
  242    HG3  GLU 571           HG1      GLU 571  60.957   6.401  -7.520
  243    H    HIS 572           HN       HIS 572  60.122   4.736  -5.510
  244    HA   HIS 572           HA       HIS 572  61.586   6.835  -3.987
  245    HB2  HIS 572           HB2      HIS 572  58.615   6.275  -4.257
  246    HB3  HIS 572           HB1      HIS 572  59.300   7.544  -3.242
  247    HD2  HIS 572           HD2      HIS 572  61.686   8.052  -5.797
  248    HE1  HIS 572           HE1      HIS 572  58.294   9.718  -7.669
  249    HE2  HIS 572           HE2      HIS 572  60.829   9.565  -7.727
  250    H    PHE 573           HN       PHE 573  60.508   3.633  -3.696
  251    HA   PHE 573           HA       PHE 573  60.038   3.640  -0.820
  252    HB2  PHE 573           HB2      PHE 573  59.112   1.878  -2.348
  253    HB3  PHE 573           HB1      PHE 573  60.757   1.335  -2.660
  254    HD1  PHE 573           HD1      PHE 573  61.299  -0.612  -1.506
  255    HD2  PHE 573           HD2      PHE 573  58.819   2.324   0.410
  256    HE1  PHE 573           HE1      PHE 573  61.231  -2.006   0.544
  257    HE2  PHE 573           HE2      PHE 573  58.750   0.930   2.458
  258    HZ   PHE 573           HZ       PHE 573  59.955  -1.235   2.525
  259    H    VAL 574           HN       VAL 574  61.906   4.714  -0.029
  260    HA   VAL 574           HA       VAL 574  64.491   3.293  -0.467
  261    HB   VAL 574           HB       VAL 574  65.569   5.382   0.267
  262   HG11  VAL 574          HG11      VAL 574  65.355   6.357  -1.791
  263   HG12  VAL 574          HG12      VAL 574  63.595   6.415  -1.695
  264   HG13  VAL 574          HG13      VAL 574  64.405   4.914  -2.143
  265   HG21  VAL 574          HG21      VAL 574  62.703   6.352   0.539
  266   HG22  VAL 574          HG22      VAL 574  64.117   7.405   0.588
  267   HG23  VAL 574          HG23      VAL 574  63.883   6.185   1.839
  268    H    CYS 575           HN       CYS 575  66.002   3.513   1.499
  269    HA   CYS 575           HA       CYS 575  64.698   2.239   3.774
  270    HB2  CYS 575           HB2      CYS 575  66.889   1.472   3.178
  271    HB3  CYS 575           HB1      CYS 575  67.540   3.106   3.201
  272    H    ALA 576           HN       ALA 576  64.030   3.235   5.631
  273    HA   ALA 576           HA       ALA 576  64.097   6.132   5.830
  274    HB1  ALA 576           HB1      ALA 576  62.207   4.987   6.779
  275    HB2  ALA 576           HB2      ALA 576  63.107   5.682   8.125
  276    HB3  ALA 576           HB3      ALA 576  63.247   3.962   7.766
  277    H    PHE 577           HN       PHE 577  66.726   5.102   5.631
  278    HA   PHE 577           HA       PHE 577  67.888   6.147   8.151
  279    HB2  PHE 577           HB2      PHE 577  67.745   3.516   8.056
  280    HB3  PHE 577           HB1      PHE 577  69.088   3.671   6.929
  281    HD1  PHE 577           HD1      PHE 577  67.981   4.944  10.288
  282    HD2  PHE 577           HD2      PHE 577  71.260   3.752   7.779
  283    HE1  PHE 577           HE1      PHE 577  69.545   5.243  12.188
  284    HE2  PHE 577           HE2      PHE 577  72.822   4.054   9.680
  285    HZ   PHE 577           HZ       PHE 577  71.965   4.799  11.884
  286    H    CYS 578           HN       CYS 578  68.915   4.564   5.124
  287    HA   CYS 578           HA       CYS 578  70.908   6.732   4.711
  288    HB2  CYS 578           HB2      CYS 578  71.600   5.177   2.774
  289    HB3  CYS 578           HB1      CYS 578  71.887   4.586   4.409
  290    H    LEU 579           HN       LEU 579  67.839   5.625   3.626
  291    HA   LEU 579           HA       LEU 579  66.385   6.361   1.953
  292    HB2  LEU 579           HB2      LEU 579  68.073   8.870   2.208
  293    HB3  LEU 579           HB1      LEU 579  66.486   8.776   1.447
  294    HG   LEU 579           HG       LEU 579  66.017   7.601   3.896
  295   HD11  LEU 579          HD11      LEU 579  68.364   8.358   4.537
  296   HD12  LEU 579          HD12      LEU 579  67.071   8.903   5.604
  297   HD13  LEU 579          HD13      LEU 579  67.766  10.013   4.423
  298   HD21  LEU 579          HD21      LEU 579  64.924   9.776   4.454
  299   HD22  LEU 579          HD22      LEU 579  64.577   9.252   2.806
  300   HD23  LEU 579          HD23      LEU 579  65.769  10.519   3.095
  301    H    LYS 580           HN       LYS 580  69.174   5.235   1.208
  302    HA   LYS 580           HA       LYS 580  69.864   6.501  -1.307
  303    HB2  LYS 580           HB2      LYS 580  71.274   4.509  -1.668
  304    HB3  LYS 580           HB1      LYS 580  71.486   5.132  -0.032
  305    HG2  LYS 580           HG2      LYS 580  69.628   3.440   0.629
  306    HG3  LYS 580           HG1      LYS 580  69.969   2.682  -0.925
  307    HD2  LYS 580           HD2      LYS 580  72.479   3.186   0.305
  308    HD3  LYS 580           HD1      LYS 580  71.439   2.467   1.535
  309    HE2  LYS 580           HE2      LYS 580  72.535   0.665   0.352
  310    HE3  LYS 580           HE1      LYS 580  70.837   0.673  -0.124
  311    HZ1  LYS 580           HZ1      LYS 580  71.349   1.218  -2.214
  312    HZ2  LYS 580           HZ2      LYS 580  72.923   0.705  -1.832
  313    HZ3  LYS 580           HZ3      LYS 580  72.520   2.354  -1.749
  314    H    GLN 581           HN       GLN 581  68.207   3.444  -0.510
  315    HA   GLN 581           HA       GLN 581  66.140   3.699  -2.425
  316    HB2  GLN 581           HB2      GLN 581  68.568   3.096  -3.681
  317    HB3  GLN 581           HB1      GLN 581  67.774   1.534  -3.521
  318    HG2  GLN 581           HG2      GLN 581  65.852   3.525  -4.347
  319    HG3  GLN 581           HG1      GLN 581  67.235   3.542  -5.441
  320   HE21  GLN 581          HE21      GLN 581  64.555   1.588  -4.254
  321   HE22  GLN 581          HE22      GLN 581  64.718   0.341  -5.393
  322    H    LEU 582           HN       LEU 582  64.880   1.613  -2.517
  323    HA   LEU 582           HA       LEU 582  65.800  -0.525  -0.744
  324    HB2  LEU 582           HB2      LEU 582  64.742   1.476   0.621
  325    HB3  LEU 582           HB1      LEU 582  63.223   0.750   0.103
  326    HG   LEU 582           HG       LEU 582  64.105  -1.452   0.972
  327   HD11  LEU 582          HD11      LEU 582  66.300  -1.507   1.474
  328   HD12  LEU 582          HD12      LEU 582  65.904  -0.561   2.908
  329   HD13  LEU 582          HD13      LEU 582  66.419   0.251   1.432
  330   HD21  LEU 582          HD21      LEU 582  63.977  -0.471   3.476
  331   HD22  LEU 582          HD22      LEU 582  62.553  -0.607   2.445
  332   HD23  LEU 582          HD23      LEU 582  63.388   0.938   2.594
  333    H    ASN 583           HN       ASN 583  64.320  -2.345  -0.699
  334    HA   ASN 583           HA       ASN 583  62.091  -2.315  -2.644
  335    HB2  ASN 583           HB2      ASN 583  63.864  -2.956  -4.113
  336    HB3  ASN 583           HB1      ASN 583  64.591  -4.005  -2.897
  337   HD21  ASN 583          HD21      ASN 583  61.287  -3.681  -4.343
  338   HD22  ASN 583          HD22      ASN 583  61.103  -5.341  -4.642
  339    H    LYS 584           HN       LYS 584  60.438  -3.383  -1.691
  340    HA   LYS 584           HA       LYS 584  60.501  -4.605   0.827
  341    HB2  LYS 584           HB2      LYS 584  58.363  -4.067  -0.009
  342    HB3  LYS 584           HB1      LYS 584  58.656  -4.885  -1.540
  343    HG2  LYS 584           HG2      LYS 584  57.117  -6.222  -0.205
  344    HG3  LYS 584           HG1      LYS 584  58.653  -7.073  -0.331
  345    HD2  LYS 584           HD2      LYS 584  58.125  -7.247   1.958
  346    HD3  LYS 584           HD1      LYS 584  59.247  -5.890   1.904
  347    HE2  LYS 584           HE2      LYS 584  57.427  -5.160   3.267
  348    HE3  LYS 584           HE1      LYS 584  57.190  -4.378   1.704
  349    HZ1  LYS 584           HZ1      LYS 584  55.525  -6.249   3.046
  350    HZ2  LYS 584           HZ2      LYS 584  55.943  -6.820   1.501
  351    HZ3  LYS 584           HZ3      LYS 584  55.192  -5.305   1.676
  352    H    GLY 585           HN       GLY 585  61.344  -5.951  -2.285
  353    HA2  GLY 585           HA2      GLY 585  61.175  -8.719  -1.712
  354    HA3  GLY 585           HA1      GLY 585  62.287  -8.007  -2.873
  355    H    THR 586           HN       THR 586  63.602  -6.355  -0.718
  356    HA   THR 586           HA       THR 586  64.835  -8.484   0.951
  357    HB   THR 586           HB       THR 586  67.102  -7.883   0.250
  358    HG1  THR 586           HG1      THR 586  66.869  -5.777  -0.340
  359   HG21  THR 586          HG21      THR 586  65.861  -9.645  -1.008
  360   HG22  THR 586          HG22      THR 586  67.054  -8.812  -2.005
  361   HG23  THR 586          HG23      THR 586  65.342  -8.416  -2.162
  362    H    PHE 587           HN       PHE 587  63.176  -6.105   1.586
  363    HA   PHE 587           HA       PHE 587  65.198  -4.399   2.962
  364    HB2  PHE 587           HB2      PHE 587  63.739  -2.656   2.829
  365    HB3  PHE 587           HB1      PHE 587  62.989  -3.606   1.561
  366    HD1  PHE 587           HD1      PHE 587  62.191  -1.706   4.280
  367    HD2  PHE 587           HD2      PHE 587  61.461  -5.653   2.748
  368    HE1  PHE 587           HE1      PHE 587  60.116  -1.846   5.628
  369    HE2  PHE 587           HE2      PHE 587  59.388  -5.791   4.100
  370    HZ   PHE 587           HZ       PHE 587  58.715  -3.888   5.539
  371    H    LYS 588           HN       LYS 588  64.210  -3.561   5.131
  372    HA   LYS 588           HA       LYS 588  62.894  -5.707   6.690
  373    HB2  LYS 588           HB2      LYS 588  65.643  -4.558   7.186
  374    HB3  LYS 588           HB1      LYS 588  64.673  -5.160   8.526
  375    HG2  LYS 588           HG2      LYS 588  65.262  -6.814   6.057
  376    HG3  LYS 588           HG1      LYS 588  66.284  -6.839   7.492
  377    HD2  LYS 588           HD2      LYS 588  64.906  -8.373   8.389
  378    HD3  LYS 588           HD1      LYS 588  63.648  -7.139   8.449
  379    HE2  LYS 588           HE2      LYS 588  62.833  -7.755   6.269
  380    HE3  LYS 588           HE1      LYS 588  64.212  -8.817   5.991
  381    HZ1  LYS 588           HZ1      LYS 588  62.120  -9.953   6.696
  382    HZ2  LYS 588           HZ2      LYS 588  62.285  -9.201   8.210
  383    HZ3  LYS 588           HZ3      LYS 588  63.470 -10.289   7.665
  384    H    GLU 589           HN       GLU 589  62.253  -4.704   8.913
  385    HA   GLU 589           HA       GLU 589  62.050  -1.747   8.715
  386    HB2  GLU 589           HB2      GLU 589  59.743  -1.667   8.844
  387    HB3  GLU 589           HB1      GLU 589  59.951  -3.127   7.877
  388    HG2  GLU 589           HG2      GLU 589  59.974  -4.372  10.156
  389    HG3  GLU 589           HG1      GLU 589  59.277  -2.889  10.807
  390    H    GLN 590           HN       GLN 590  61.800  -0.688  10.678
  391    HA   GLN 590           HA       GLN 590  61.692  -2.208  13.193
  392    HB2  GLN 590           HB2      GLN 590  64.138  -2.120  12.421
  393    HB3  GLN 590           HB1      GLN 590  64.043  -0.377  12.650
  394    HG2  GLN 590           HG2      GLN 590  64.912  -1.227  14.693
  395    HG3  GLN 590           HG1      GLN 590  63.218  -0.873  15.022
  396   HE21  GLN 590          HE21      GLN 590  64.507  -3.685  13.215
  397   HE22  GLN 590          HE22      GLN 590  63.923  -4.851  14.303
  398    H    ASN 591           HN       ASN 591  61.108  -0.789  14.946
  399    HA   ASN 591           HA       ASN 591  59.983   1.068  15.835
  400    HB2  ASN 591           HB2      ASN 591  62.053   2.353  14.047
  401    HB3  ASN 591           HB1      ASN 591  60.970   3.305  15.056
  402   HD21  ASN 591          HD21      ASN 591  63.990   1.846  15.058
  403   HD22  ASN 591          HD22      ASN 591  64.213   1.697  16.734
  404    H    ASP 592           HN       ASP 592  59.130  -0.122  13.091
  405    HA   ASP 592           HA       ASP 592  57.198   0.235  11.791
  406    HB2  ASP 592           HB2      ASP 592  56.609   1.772  13.893
  407    HB3  ASP 592           HB1      ASP 592  56.884   3.057  12.714
  408    H    LYS 593           HN       LYS 593  59.946   0.926  10.961
  409    HA   LYS 593           HA       LYS 593  59.181   2.641   8.674
  410    HB2  LYS 593           HB2      LYS 593  61.777   3.517   9.243
  411    HB3  LYS 593           HB1      LYS 593  60.291   4.436   9.463
  412    HG2  LYS 593           HG2      LYS 593  60.117   3.298  11.762
  413    HG3  LYS 593           HG1      LYS 593  61.789   2.806  11.513
  414    HD2  LYS 593           HD2      LYS 593  62.257   4.812  12.491
  415    HD3  LYS 593           HD1      LYS 593  61.962   5.442  10.871
  416    HE2  LYS 593           HE2      LYS 593  60.606   6.777  12.293
  417    HE3  LYS 593           HE1      LYS 593  59.491   5.616  11.571
  418    HZ1  LYS 593           HZ1      LYS 593  60.806   5.240  14.205
  419    HZ2  LYS 593           HZ2      LYS 593  59.582   4.276  13.524
  420    HZ3  LYS 593           HZ3      LYS 593  59.244   5.870  14.007
  421    HA   PRO 594           HA       PRO 594  61.491  -0.384   6.458
  422    HB2  PRO 594           HB2      PRO 594  62.442   1.157   4.389
  423    HB3  PRO 594           HB1      PRO 594  60.784   0.559   4.512
  424    HG2  PRO 594           HG2      PRO 594  61.856   3.285   5.052
  425    HG3  PRO 594           HG1      PRO 594  60.289   2.805   4.394
  426    HD2  PRO 594           HD2      PRO 594  60.683   3.638   7.012
  427    HD3  PRO 594           HD1      PRO 594  59.339   2.590   6.494
  428    H    TYR 595           HN       TYR 595  63.563  -1.113   5.945
  429    HA   TYR 595           HA       TYR 595  65.944   0.544   6.274
  430    HB2  TYR 595           HB2      TYR 595  65.217  -1.586   8.318
  431    HB3  TYR 595           HB1      TYR 595  66.848  -0.957   8.118
  432    HD1  TYR 595           HD1      TYR 595  63.815  -0.553   9.864
  433    HD2  TYR 595           HD2      TYR 595  67.023   1.698   8.115
  434    HE1  TYR 595           HE1      TYR 595  63.250   1.378  11.308
  435    HE2  TYR 595           HE2      TYR 595  66.452   3.631   9.563
  436    HH   TYR 595           HH       TYR 595  64.459   4.488  10.778
  437    H    CYS 596           HN       CYS 596  67.335  -0.325   4.735
  438    HA   CYS 596           HA       CYS 596  66.774  -2.660   3.261
  439    HB2  CYS 596           HB2      CYS 596  69.655  -2.053   3.715
  440    HB3  CYS 596           HB1      CYS 596  68.792  -2.327   2.205
  441    H    GLN 597           HN       GLN 597  67.403  -4.826   3.498
  442    HA   GLN 597           HA       GLN 597  67.522  -5.942   6.067
  443    HB2  GLN 597           HB2      GLN 597  67.185  -7.650   4.589
  444    HB3  GLN 597           HB1      GLN 597  68.078  -6.823   3.318
  445    HG2  GLN 597           HG2      GLN 597  69.226  -8.899   3.932
  446    HG3  GLN 597           HG1      GLN 597  70.212  -7.513   4.382
  447   HE21  GLN 597          HE21      GLN 597  67.467  -7.933   6.438
  448   HE22  GLN 597          HE22      GLN 597  68.274  -8.679   7.730
  449    H    ASN 598           HN       ASN 598  70.128  -4.787   3.989
  450    HA   ASN 598           HA       ASN 598  72.307  -5.639   5.671
  451    HB2  ASN 598           HB2      ASN 598  72.681  -4.977   3.333
  452    HB3  ASN 598           HB1      ASN 598  72.122  -3.343   3.690
  453   HD21  ASN 598          HD21      ASN 598  74.680  -5.698   4.613
  454   HD22  ASN 598          HD22      ASN 598  75.830  -4.519   5.022
  455    H    CYS 599           HN       CYS 599  70.305  -2.725   5.489
  456    HA   CYS 599           HA       CYS 599  71.739  -1.244   7.520
  457    HB2  CYS 599           HB2      CYS 599  69.039  -1.026   6.216
  458    HB3  CYS 599           HB1      CYS 599  69.331  -0.130   7.702
  459    H    PHE 600           HN       PHE 600  68.571  -2.936   7.633
  460    HA   PHE 600           HA       PHE 600  68.150  -2.918  10.412
  461    HB2  PHE 600           HB2      PHE 600  66.448  -3.821   8.980
  462    HB3  PHE 600           HB1      PHE 600  67.552  -5.008   8.298
  463    HD1  PHE 600           HD1      PHE 600  65.322  -4.209  11.076
  464    HD2  PHE 600           HD2      PHE 600  68.315  -6.950   9.664
  465    HE1  PHE 600           HE1      PHE 600  64.631  -5.856  12.797
  466    HE2  PHE 600           HE2      PHE 600  67.625  -8.591  11.389
  467    HZ   PHE 600           HZ       PHE 600  65.782  -8.045  12.954
  468    H    LEU 601           HN       LEU 601  70.034  -5.184   8.453
  469    HA   LEU 601           HA       LEU 601  70.951  -6.893  10.542
  470    HB2  LEU 601           HB2      LEU 601  71.188  -7.448   8.171
  471    HB3  LEU 601           HB1      LEU 601  72.229  -6.053   7.921
  472    HG   LEU 601           HG       LEU 601  73.772  -7.112   9.696
  473   HD11  LEU 601          HD11      LEU 601  72.032  -9.489   8.965
  474   HD12  LEU 601          HD12      LEU 601  72.161  -8.751  10.561
  475   HD13  LEU 601          HD13      LEU 601  73.548  -9.585   9.861
  476   HD21  LEU 601          HD21      LEU 601  73.263  -8.187   6.925
  477   HD22  LEU 601          HD22      LEU 601  74.597  -8.803   7.903
  478   HD23  LEU 601          HD23      LEU 601  74.538  -7.095   7.466
  479    H    LYS 602           HN       LYS 602  71.832  -3.704   9.512
  480    HA   LYS 602           HA       LYS 602  74.313  -3.603  11.099
  481    HB2  LYS 602           HB2      LYS 602  73.460  -2.324   8.812
  482    HB3  LYS 602           HB1      LYS 602  73.193  -1.092  10.037
  483    HG2  LYS 602           HG2      LYS 602  75.416  -0.743   9.319
  484    HG3  LYS 602           HG1      LYS 602  75.573  -1.612  10.844
  485    HD2  LYS 602           HD2      LYS 602  77.062  -2.725   9.360
  486    HD3  LYS 602           HD1      LYS 602  75.636  -3.759   9.426
  487    HE2  LYS 602           HE2      LYS 602  74.917  -3.129   7.292
  488    HE3  LYS 602           HE1      LYS 602  75.823  -1.617   7.323
  489    HZ1  LYS 602           HZ1      LYS 602  77.879  -3.001   7.311
  490    HZ2  LYS 602           HZ2      LYS 602  76.956  -3.102   5.888
  491    HZ3  LYS 602           HZ3      LYS 602  76.907  -4.362   7.027
  492    H    LEU 603           HN       LEU 603  71.003  -2.320  11.192
  493    HA   LEU 603           HA       LEU 603  71.531  -0.788  13.638
  494    HB2  LEU 603           HB2      LEU 603  68.768  -1.368  12.610
  495    HB3  LEU 603           HB1      LEU 603  69.376   0.080  13.397
  496    HG   LEU 603           HG       LEU 603  69.954  -0.827  10.572
  497   HD11  LEU 603          HD11      LEU 603  67.768   0.254  10.919
  498   HD12  LEU 603          HD12      LEU 603  68.841   1.288   9.976
  499   HD13  LEU 603          HD13      LEU 603  68.569   1.625  11.686
  500   HD21  LEU 603          HD21      LEU 603  71.119   1.443  12.204
  501   HD22  LEU 603          HD22      LEU 603  71.198   1.384  10.443
  502   HD23  LEU 603          HD23      LEU 603  71.997   0.140  11.402
  503    H    PHE 604           HN       PHE 604  69.333  -3.472  12.792
  504    HA   PHE 604           HA       PHE 604  68.732  -4.081  15.549
  505    HB2  PHE 604           HB2      PHE 604  67.397  -4.639  13.371
  506    HB3  PHE 604           HB1      PHE 604  68.426  -6.069  13.315
  507    HD1  PHE 604           HD1      PHE 604  66.110  -4.166  15.548
  508    HD2  PHE 604           HD2      PHE 604  67.962  -7.944  14.678
  509    HE1  PHE 604           HE1      PHE 604  64.684  -5.259  17.257
  510    HE2  PHE 604           HE2      PHE 604  66.536  -9.036  16.388
  511    HZ   PHE 604           HZ       PHE 604  64.897  -7.693  17.677
  512    H    CYS 605           HN       CYS 605  71.324  -4.938  13.422
  513    HA   CYS 605           HA       CYS 605  72.441  -6.669  15.565
  514    HB2  CYS 605           HB2      CYS 605  71.213  -7.979  13.644
  515    HB3  CYS 605           HB1      CYS 605  72.662  -7.600  12.714
  516    HG   CYS 605           HG       CYS 605  73.982  -8.733  14.855
  Start of MODEL   14
    1    H    TYR 541           HT1      TYR 541  38.526  -0.898 -15.173
    2    HA   TYR 541           HA       TYR 541  38.676  -0.997 -17.740
    3    HB2  TYR 541           HB2      TYR 541  36.716   1.240 -17.175
    4    HB3  TYR 541           HB1      TYR 541  37.687   1.185 -18.647
    5    HD1  TYR 541           HD1      TYR 541  37.396  -0.648 -20.286
    6    HD2  TYR 541           HD2      TYR 541  34.891  -0.313 -16.810
    7    HE1  TYR 541           HE1      TYR 541  35.780  -2.234 -21.297
    8    HE2  TYR 541           HE2      TYR 541  33.276  -1.900 -17.823
    9    HH   TYR 541           HH       TYR 541  32.960  -2.557 -20.786
   10    H    HIS 542           HN       HIS 542  40.157   0.683 -18.660
   11    HA   HIS 542           HA       HIS 542  42.086   1.969 -18.428
   12    HB2  HIS 542           HB2      HIS 542  40.893   3.554 -16.212
   13    HB3  HIS 542           HB1      HIS 542  41.657   4.088 -17.705
   14    HD1  HIS 542           HD1      HIS 542  38.384   3.577 -16.177
   15    HD2  HIS 542           HD2      HIS 542  39.879   3.732 -20.065
   16    HE1  HIS 542           HE1      HIS 542  36.388   3.921 -17.699
   17    H    GLU 543           HN       GLU 543  43.203   3.235 -16.173
   18    HA   GLU 543           HA       GLU 543  43.428   1.247 -14.023
   19    HB2  GLU 543           HB2      GLU 543  46.057   1.374 -14.457
   20    HB3  GLU 543           HB1      GLU 543  45.058   0.160 -15.253
   21    HG2  GLU 543           HG2      GLU 543  46.515   1.251 -16.895
   22    HG3  GLU 543           HG1      GLU 543  44.829   1.653 -17.215
   23    H    ARG 544           HN       ARG 544  42.570   3.972 -14.114
   24    HA   ARG 544           HA       ARG 544  44.719   5.723 -13.240
   25    HB2  ARG 544           HB2      ARG 544  41.756   5.896 -13.519
   26    HB3  ARG 544           HB1      ARG 544  42.511   7.003 -12.379
   27    HG2  ARG 544           HG2      ARG 544  42.421   8.078 -14.557
   28    HG3  ARG 544           HG1      ARG 544  44.103   7.704 -14.180
   29    HD2  ARG 544           HD2      ARG 544  44.279   6.304 -15.940
   30    HD3  ARG 544           HD1      ARG 544  42.777   5.482 -15.517
   31    HE   ARG 544           HE       ARG 544  41.928   7.882 -16.607
   32   HH11  ARG 544          HH11      ARG 544  41.496   8.141 -18.803
   33   HH12  ARG 544          HH12      ARG 544  42.272   7.107 -19.956
   34   HH21  ARG 544          HH21      ARG 544  44.032   5.316 -17.570
   35   HH22  ARG 544          HH22      ARG 544  43.704   5.512 -19.259
   36    H    ARG 545           HN       ARG 545  43.542   3.091 -11.749
   37    HA   ARG 545           HA       ARG 545  43.922   4.283  -9.032
   38    HB2  ARG 545           HB2      ARG 545  42.127   1.918  -9.526
   39    HB3  ARG 545           HB1      ARG 545  42.171   2.996  -8.130
   40    HG2  ARG 545           HG2      ARG 545  41.566   4.842  -9.921
   41    HG3  ARG 545           HG1      ARG 545  40.991   3.458 -10.842
   42    HD2  ARG 545           HD2      ARG 545  39.126   3.356  -9.595
   43    HD3  ARG 545           HD1      ARG 545  40.085   3.196  -8.127
   44    HE   ARG 545           HE       ARG 545  38.582   5.478  -8.813
   45   HH11  ARG 545          HH11      ARG 545  39.036   7.552  -8.104
   46   HH12  ARG 545          HH12      ARG 545  40.619   7.934  -7.517
   47   HH21  ARG 545          HH21      ARG 545  41.868   4.747  -8.008
   48   HH22  ARG 545          HH22      ARG 545  42.217   6.352  -7.466
   49    H    GLY 546           HN       GLY 546  43.689   1.656  -7.785
   50    HA2  GLY 546           HA2      GLY 546  44.886  -0.548  -8.212
   51    HA3  GLY 546           HA1      GLY 546  46.222   0.442  -8.793
   52    H    SER 547           HN       SER 547  47.704   1.167  -7.311
   53    HA   SER 547           HA       SER 547  46.978   1.081  -4.418
   54    HB2  SER 547           HB2      SER 547  48.870  -0.652  -5.806
   55    HB3  SER 547           HB1      SER 547  49.653   0.265  -4.524
   56    HG   SER 547           HG       SER 547  47.206  -1.136  -4.200
   57    H    LEU 548           HN       LEU 548  47.407   3.077  -3.612
   58    HA   LEU 548           HA       LEU 548  49.035   4.986  -5.052
   59    HB2  LEU 548           HB2      LEU 548  47.564   4.975  -2.442
   60    HB3  LEU 548           HB1      LEU 548  48.762   6.230  -2.731
   61    HG   LEU 548           HG       LEU 548  47.620   6.923  -4.766
   62   HD11  LEU 548          HD11      LEU 548  45.340   5.835  -5.229
   63   HD12  LEU 548          HD12      LEU 548  45.885   4.520  -4.188
   64   HD13  LEU 548          HD13      LEU 548  46.769   4.900  -5.666
   65   HD21  LEU 548          HD21      LEU 548  45.556   7.779  -3.786
   66   HD22  LEU 548          HD22      LEU 548  46.828   7.811  -2.565
   67   HD23  LEU 548          HD23      LEU 548  45.605   6.541  -2.530
   68    H    CYS 549           HN       CYS 549  51.143   5.577  -4.685
   69    HA   CYS 549           HA       CYS 549  52.815   3.786  -3.097
   70    HB2  CYS 549           HB2      CYS 549  54.050   4.469  -4.914
   71    HB3  CYS 549           HB1      CYS 549  53.230   6.023  -5.019
   72    H    SER 550           HN       SER 550  52.798   4.073  -0.913
   73    HA   SER 550           HA       SER 550  51.876   6.343   0.448
   74    HB2  SER 550           HB2      SER 550  54.052   4.435   1.345
   75    HB3  SER 550           HB1      SER 550  53.178   5.542   2.397
   76    HG   SER 550           HG       SER 550  52.276   3.254   1.025
   77    H    GLY 551           HN       GLY 551  52.595   8.341   0.173
   78    HA2  GLY 551           HA2      GLY 551  54.517   9.899   0.745
   79    HA3  GLY 551           HA1      GLY 551  55.526   8.812  -0.223
   80    H    CYS 552           HN       CYS 552  53.356   8.312  -2.151
   81    HA   CYS 552           HA       CYS 552  53.552  10.867  -3.693
   82    HB2  CYS 552           HB2      CYS 552  53.516   7.975  -4.414
   83    HB3  CYS 552           HB1      CYS 552  52.718   9.085  -5.527
   84    H    GLN 553           HN       GLN 553  51.351   8.484  -2.366
   85    HA   GLN 553           HA       GLN 553  49.019   8.437  -2.212
   86    HB2  GLN 553           HB2      GLN 553  49.436  11.408  -2.681
   87    HB3  GLN 553           HB1      GLN 553  47.879  10.689  -2.276
   88    HG2  GLN 553           HG2      GLN 553  48.766  11.371  -0.189
   89    HG3  GLN 553           HG1      GLN 553  49.086   9.641  -0.252
   90   HE21  GLN 553          HE21      GLN 553  51.078   9.449   0.829
   91   HE22  GLN 553          HE22      GLN 553  52.475  10.320   0.416
   92    H    LYS 554           HN       LYS 554  50.404   8.045  -4.778
   93    HA   LYS 554           HA       LYS 554  48.083   8.539  -6.586
   94    HB2  LYS 554           HB2      LYS 554  51.028   8.922  -7.223
   95    HB3  LYS 554           HB1      LYS 554  49.764   8.856  -8.450
   96    HG2  LYS 554           HG2      LYS 554  49.774  10.829  -6.147
   97    HG3  LYS 554           HG1      LYS 554  50.392  11.196  -7.756
   98    HD2  LYS 554           HD2      LYS 554  48.047  10.354  -8.567
   99    HD3  LYS 554           HD1      LYS 554  47.561  10.656  -6.899
  100    HE2  LYS 554           HE2      LYS 554  48.351  12.982  -7.076
  101    HE3  LYS 554           HE1      LYS 554  48.862  12.688  -8.738
  102    HZ1  LYS 554           HZ1      LYS 554  46.703  13.728  -8.703
  103    HZ2  LYS 554           HZ2      LYS 554  46.086  12.506  -7.697
  104    HZ3  LYS 554           HZ3      LYS 554  46.556  12.143  -9.289
  105    HA   PRO 555           HA       PRO 555  48.171   4.154  -7.096
  106    HB2  PRO 555           HB2      PRO 555  47.862   4.587  -9.987
  107    HB3  PRO 555           HB1      PRO 555  46.801   3.753  -8.846
  108    HG2  PRO 555           HG2      PRO 555  46.341   6.276  -9.941
  109    HG3  PRO 555           HG1      PRO 555  45.534   5.615  -8.516
  110    HD2  PRO 555           HD2      PRO 555  47.460   7.796  -8.654
  111    HD3  PRO 555           HD1      PRO 555  46.534   7.223  -7.244
  112    H    ILE 556           HN       ILE 556  49.502   2.493  -7.872
  113    HA   ILE 556           HA       ILE 556  52.102   3.406  -9.010
  114    HB   ILE 556           HB       ILE 556  51.331   1.004  -7.329
  115   HG12  ILE 556          HG12      ILE 556  53.374   3.108  -6.633
  116   HG13  ILE 556          HG11      ILE 556  51.663   3.442  -6.384
  117   HG21  ILE 556          HG21      ILE 556  53.901   0.701  -7.309
  118   HG22  ILE 556          HG22      ILE 556  53.906   1.735  -8.737
  119   HG23  ILE 556          HG23      ILE 556  53.043   0.198  -8.765
  120   HD11  ILE 556          HD11      ILE 556  53.458   1.701  -4.858
  121   HD12  ILE 556          HD12      ILE 556  51.956   0.900  -5.316
  122   HD13  ILE 556          HD13      ILE 556  51.909   2.401  -4.391
  123    H    THR 557           HN       THR 557  51.591   3.264 -11.225
  124    HA   THR 557           HA       THR 557  50.308   0.868 -12.312
  125    HB   THR 557           HB       THR 557  50.823   2.004 -14.526
  126    HG1  THR 557           HG1      THR 557  52.551   3.245 -14.053
  127   HG21  THR 557          HG21      THR 557  49.244   3.918 -14.067
  128   HG22  THR 557          HG22      THR 557  49.342   3.511 -12.354
  129   HG23  THR 557          HG23      THR 557  48.666   2.351 -13.499
  130    H    GLY 558           HN       GLY 558  51.782  -0.794 -11.718
  131    HA2  GLY 558           HA2      GLY 558  53.436  -2.022 -13.355
  132    HA3  GLY 558           HA1      GLY 558  54.507  -0.690 -12.904
  133    H    ARG 559           HN       ARG 559  55.983  -2.143 -11.826
  134    HA   ARG 559           HA       ARG 559  55.253  -4.025  -9.827
  135    HB2  ARG 559           HB2      ARG 559  57.716  -2.509 -10.543
  136    HB3  ARG 559           HB1      ARG 559  57.651  -3.160  -8.906
  137    HG2  ARG 559           HG2      ARG 559  56.755  -5.040 -10.995
  138    HG3  ARG 559           HG1      ARG 559  58.455  -4.585 -11.109
  139    HD2  ARG 559           HD2      ARG 559  58.244  -5.010  -8.432
  140    HD3  ARG 559           HD1      ARG 559  57.050  -6.162  -9.020
  141    HE   ARG 559           HE       ARG 559  59.826  -6.600  -9.051
  142   HH11  ARG 559          HH11      ARG 559  60.896  -7.921 -10.511
  143   HH12  ARG 559          HH12      ARG 559  60.130  -8.350 -12.003
  144   HH21  ARG 559          HH21      ARG 559  57.236  -6.579 -11.348
  145   HH22  ARG 559          HH22      ARG 559  58.070  -7.590 -12.475
  146    H    CYS 560           HN       CYS 560  55.317  -3.765  -7.466
  147    HA   CYS 560           HA       CYS 560  55.242  -1.019  -6.417
  148    HB2  CYS 560           HB2      CYS 560  52.984  -1.113  -5.595
  149    HB3  CYS 560           HB1      CYS 560  52.926  -1.503  -7.313
  150    HG   CYS 560           HG       CYS 560  53.188  -4.066  -5.788
  151    H    ILE 561           HN       ILE 561  55.877  -0.967  -4.329
  152    HA   ILE 561           HA       ILE 561  56.529  -3.550  -3.037
  153    HB   ILE 561           HB       ILE 561  57.120  -0.841  -1.861
  154   HG12  ILE 561          HG12      ILE 561  57.788  -0.775  -4.271
  155   HG13  ILE 561          HG11      ILE 561  59.173  -0.714  -3.189
  156   HG21  ILE 561          HG21      ILE 561  57.854  -2.464  -0.389
  157   HG22  ILE 561          HG22      ILE 561  59.292  -2.302  -1.397
  158   HG23  ILE 561          HG23      ILE 561  58.171  -3.634  -1.670
  159   HD11  ILE 561          HD11      ILE 561  59.540  -3.132  -3.502
  160   HD12  ILE 561          HD12      ILE 561  59.567  -2.289  -5.050
  161   HD13  ILE 561          HD13      ILE 561  58.141  -3.208  -4.573
  162    H    THR 562           HN       THR 562  55.742  -4.092  -0.951
  163    HA   THR 562           HA       THR 562  53.461  -2.429   0.041
  164    HB   THR 562           HB       THR 562  53.610  -5.458  -0.083
  165    HG1  THR 562           HG1      THR 562  53.092  -4.243  -2.035
  166   HG21  THR 562          HG21      THR 562  51.112  -5.049   0.647
  167   HG22  THR 562          HG22      THR 562  51.753  -3.529   1.272
  168   HG23  THR 562          HG23      THR 562  52.391  -5.064   1.862
  169    H    ALA 563           HN       ALA 563  54.342  -1.555   1.857
  170    HA   ALA 563           HA       ALA 563  56.143  -3.169   3.551
  171    HB1  ALA 563           HB1      ALA 563  55.175  -0.332   3.983
  172    HB2  ALA 563           HB2      ALA 563  56.588  -0.743   3.011
  173    HB3  ALA 563           HB3      ALA 563  56.569  -1.108   4.736
  174    H    MET 564           HN       MET 564  54.812  -1.238   5.735
  175    HA   MET 564           HA       MET 564  53.235  -3.344   6.958
  176    HB2  MET 564           HB2      MET 564  53.500  -0.403   7.643
  177    HB3  MET 564           HB1      MET 564  52.743  -1.614   8.674
  178    HG2  MET 564           HG2      MET 564  54.880  -2.865   8.766
  179    HG3  MET 564           HG1      MET 564  55.636  -1.633   7.756
  180    HE1  MET 564           HE1      MET 564  53.834  -2.654  10.666
  181    HE2  MET 564           HE2      MET 564  53.761  -1.318  11.812
  182    HE3  MET 564           HE3      MET 564  55.171  -2.374  11.791
  183    H    ALA 565           HN       ALA 565  52.025  -3.274   4.706
  184    HA   ALA 565           HA       ALA 565  49.852  -3.123   3.799
  185    HB1  ALA 565           HB1      ALA 565  49.263  -2.679   6.376
  186    HB2  ALA 565           HB2      ALA 565  48.079  -2.409   5.099
  187    HB3  ALA 565           HB3      ALA 565  48.978  -1.048   5.768
  188    H    LYS 566           HN       LYS 566  52.037  -0.631   4.434
  189    HA   LYS 566           HA       LYS 566  50.679   1.385   2.757
  190    HB2  LYS 566           HB2      LYS 566  53.023   1.299   4.571
  191    HB3  LYS 566           HB1      LYS 566  53.192   2.360   3.174
  192    HG2  LYS 566           HG2      LYS 566  50.993   3.406   3.764
  193    HG3  LYS 566           HG1      LYS 566  50.958   2.419   5.225
  194    HD2  LYS 566           HD2      LYS 566  53.315   4.197   4.591
  195    HD3  LYS 566           HD1      LYS 566  51.897   4.818   5.435
  196    HE2  LYS 566           HE2      LYS 566  52.420   3.737   7.363
  197    HE3  LYS 566           HE1      LYS 566  52.899   2.267   6.514
  198    HZ1  LYS 566           HZ1      LYS 566  54.972   3.408   5.882
  199    HZ2  LYS 566           HZ2      LYS 566  54.807   3.230   7.564
  200    HZ3  LYS 566           HZ3      LYS 566  54.516   4.737   6.834
  201    H    LYS 567           HN       LYS 567  51.140   1.662   0.598
  202    HA   LYS 567           HA       LYS 567  53.070  -0.221  -0.615
  203    HB2  LYS 567           HB2      LYS 567  50.816   1.469  -1.663
  204    HB3  LYS 567           HB1      LYS 567  52.035   0.838  -2.769
  205    HG2  LYS 567           HG2      LYS 567  50.054  -0.674  -2.532
  206    HG3  LYS 567           HG1      LYS 567  51.572  -1.440  -2.060
  207    HD2  LYS 567           HD2      LYS 567  51.082  -1.271   0.246
  208    HD3  LYS 567           HD1      LYS 567  49.838  -0.047  -0.020
  209    HE2  LYS 567           HE2      LYS 567  48.275  -1.601  -0.784
  210    HE3  LYS 567           HE1      LYS 567  49.514  -2.767  -1.244
  211    HZ1  LYS 567           HZ1      LYS 567  49.056  -1.992   1.574
  212    HZ2  LYS 567           HZ2      LYS 567  49.891  -3.346   0.976
  213    HZ3  LYS 567           HZ3      LYS 567  48.200  -3.262   0.843
  214    H    PHE 568           HN       PHE 568  54.375   0.720  -2.492
  215    HA   PHE 568           HA       PHE 568  55.142   3.557  -2.247
  216    HB2  PHE 568           HB2      PHE 568  56.982   1.284  -1.428
  217    HB3  PHE 568           HB1      PHE 568  57.582   2.873  -1.883
  218    HD1  PHE 568           HD1      PHE 568  57.133   4.843  -0.466
  219    HD2  PHE 568           HD2      PHE 568  55.804   0.916   0.663
  220    HE1  PHE 568           HE1      PHE 568  56.758   5.634   1.854
  221    HE2  PHE 568           HE2      PHE 568  55.424   1.710   2.979
  222    HZ   PHE 568           HZ       PHE 568  55.902   4.069   3.576
  223    H    HIS 569           HN       HIS 569  55.985   4.238  -4.238
  224    HA   HIS 569           HA       HIS 569  55.892   2.512  -6.511
  225    HB2  HIS 569           HB2      HIS 569  57.266   5.144  -5.961
  226    HB3  HIS 569           HB1      HIS 569  57.578   4.289  -7.467
  227    HD2  HIS 569           HD2      HIS 569  54.900   3.625  -8.811
  228    HE1  HIS 569           HE1      HIS 569  53.260   7.238  -7.364
  229    HE2  HIS 569           HE2      HIS 569  52.957   5.344  -9.038
  230    HA   PRO 570           HA       PRO 570  59.411  -0.090  -5.688
  231    HB2  PRO 570           HB2      PRO 570  59.933   0.091  -8.598
  232    HB3  PRO 570           HB1      PRO 570  59.637  -1.331  -7.591
  233    HG2  PRO 570           HG2      PRO 570  57.785  -0.298  -9.333
  234    HG3  PRO 570           HG1      PRO 570  57.375  -1.244  -7.901
  235    HD2  PRO 570           HD2      PRO 570  56.986   1.638  -8.392
  236    HD3  PRO 570           HD1      PRO 570  56.231   0.592  -7.163
  237    H    GLU 571           HN       GLU 571  59.585   3.031  -7.014
  238    HA   GLU 571           HA       GLU 571  62.564   3.084  -6.769
  239    HB2  GLU 571           HB2      GLU 571  62.460   5.110  -8.194
  240    HB3  GLU 571           HB1      GLU 571  61.758   3.710  -9.007
  241    HG2  GLU 571           HG2      GLU 571  59.508   4.443  -8.423
  242    HG3  GLU 571           HG1      GLU 571  60.154   5.783  -7.482
  243    H    HIS 572           HN       HIS 572  59.615   4.135  -5.363
  244    HA   HIS 572           HA       HIS 572  60.962   6.401  -3.977
  245    HB2  HIS 572           HB2      HIS 572  58.037   5.601  -4.105
  246    HB3  HIS 572           HB1      HIS 572  58.658   6.957  -3.165
  247    HD2  HIS 572           HD2      HIS 572  60.895   7.576  -5.816
  248    HE1  HIS 572           HE1      HIS 572  57.314   8.862  -7.632
  249    HE2  HIS 572           HE2      HIS 572  59.849   8.933  -7.768
  250    H    PHE 573           HN       PHE 573  60.169   3.137  -3.538
  251    HA   PHE 573           HA       PHE 573  59.792   3.203  -0.649
  252    HB2  PHE 573           HB2      PHE 573  58.974   1.315  -2.077
  253    HB3  PHE 573           HB1      PHE 573  60.646   0.912  -2.449
  254    HD1  PHE 573           HD1      PHE 573  58.759   1.813   0.679
  255    HD2  PHE 573           HD2      PHE 573  61.414  -0.942  -1.271
  256    HE1  PHE 573           HE1      PHE 573  58.905   0.479   2.763
  257    HE2  PHE 573           HE2      PHE 573  61.561  -2.275   0.814
  258    HZ   PHE 573           HZ       PHE 573  60.306  -1.565   2.830
  259    H    VAL 574           HN       VAL 574  61.577   4.450   0.062
  260    HA   VAL 574           HA       VAL 574  64.268   3.267  -0.440
  261    HB   VAL 574           HB       VAL 574  65.170   5.455   0.230
  262   HG11  VAL 574          HG11      VAL 574  63.012   6.248  -1.660
  263   HG12  VAL 574          HG12      VAL 574  63.994   4.861  -2.131
  264   HG13  VAL 574          HG13      VAL 574  64.760   6.417  -1.813
  265   HG21  VAL 574          HG21      VAL 574  63.495   6.125   1.866
  266   HG22  VAL 574          HG22      VAL 574  62.239   6.147   0.627
  267   HG23  VAL 574          HG23      VAL 574  63.539   7.338   0.587
  268    H    CYS 575           HN       CYS 575  65.815   3.655   1.470
  269    HA   CYS 575           HA       CYS 575  64.712   2.297   3.804
  270    HB2  CYS 575           HB2      CYS 575  66.938   1.714   3.138
  271    HB3  CYS 575           HB1      CYS 575  67.443   3.399   3.112
  272    H    ALA 576           HN       ALA 576  64.024   3.256   5.672
  273    HA   ALA 576           HA       ALA 576  63.861   6.154   5.842
  274    HB1  ALA 576           HB1      ALA 576  63.237   3.936   7.809
  275    HB2  ALA 576           HB2      ALA 576  62.094   4.888   6.863
  276    HB3  ALA 576           HB3      ALA 576  62.990   5.642   8.179
  277    H    PHE 577           HN       PHE 577  66.545   5.392   5.551
  278    HA   PHE 577           HA       PHE 577  67.707   6.520   8.030
  279    HB2  PHE 577           HB2      PHE 577  67.785   3.898   7.978
  280    HB3  PHE 577           HB1      PHE 577  69.036   4.130   6.760
  281    HD1  PHE 577           HD1      PHE 577  68.068   5.472  10.140
  282    HD2  PHE 577           HD2      PHE 577  71.240   4.295   7.490
  283    HE1  PHE 577           HE1      PHE 577  69.728   5.921  11.926
  284    HE2  PHE 577           HE2      PHE 577  72.898   4.747   9.277
  285    HZ   PHE 577           HZ       PHE 577  72.142   5.560  11.495
  286    H    CYS 578           HN       CYS 578  68.753   5.011   4.973
  287    HA   CYS 578           HA       CYS 578  70.531   7.345   4.477
  288    HB2  CYS 578           HB2      CYS 578  71.282   5.827   2.522
  289    HB3  CYS 578           HB1      CYS 578  71.705   5.310   4.152
  290    H    LEU 579           HN       LEU 579  67.540   5.953   3.515
  291    HA   LEU 579           HA       LEU 579  65.969   6.531   1.886
  292    HB2  LEU 579           HB2      LEU 579  67.432   9.185   2.048
  293    HB3  LEU 579           HB1      LEU 579  65.830   8.937   1.355
  294    HG   LEU 579           HG       LEU 579  65.558   7.764   3.830
  295   HD11  LEU 579          HD11      LEU 579  67.843   8.678   4.409
  296   HD12  LEU 579          HD12      LEU 579  66.550   9.211   5.482
  297   HD13  LEU 579          HD13      LEU 579  67.168  10.298   4.238
  298   HD21  LEU 579          HD21      LEU 579  65.049  10.647   3.023
  299   HD22  LEU 579          HD22      LEU 579  64.317   9.849   4.416
  300   HD23  LEU 579          HD23      LEU 579  63.951   9.287   2.785
  301    H    LYS 580           HN       LYS 580  68.812   5.639   1.054
  302    HA   LYS 580           HA       LYS 580  69.303   6.928  -1.498
  303    HB2  LYS 580           HB2      LYS 580  70.875   5.066  -1.881
  304    HB3  LYS 580           HB1      LYS 580  71.082   5.727  -0.260
  305    HG2  LYS 580           HG2      LYS 580  69.405   3.884   0.479
  306    HG3  LYS 580           HG1      LYS 580  69.763   3.140  -1.078
  307    HD2  LYS 580           HD2      LYS 580  72.257   3.879   0.059
  308    HD3  LYS 580           HD1      LYS 580  71.326   3.093   1.334
  309    HE2  LYS 580           HE2      LYS 580  72.542   1.378   0.132
  310    HE3  LYS 580           HE1      LYS 580  70.831   1.222  -0.266
  311    HZ1  LYS 580           HZ1      LYS 580  71.197   1.772  -2.386
  312    HZ2  LYS 580           HZ2      LYS 580  72.827   1.410  -2.068
  313    HZ3  LYS 580           HZ3      LYS 580  72.279   3.017  -1.992
  314    H    GLN 581           HN       GLN 581  67.953   3.751  -0.602
  315    HA   GLN 581           HA       GLN 581  65.809   3.783  -2.447
  316    HB2  GLN 581           HB2      GLN 581  68.238   3.383  -3.781
  317    HB3  GLN 581           HB1      GLN 581  67.600   1.757  -3.568
  318    HG2  GLN 581           HG2      GLN 581  65.467   3.534  -4.354
  319    HG3  GLN 581           HG1      GLN 581  66.805   3.678  -5.493
  320   HE21  GLN 581          HE21      GLN 581  64.378   1.475  -4.200
  321   HE22  GLN 581          HE22      GLN 581  64.631   0.238  -5.332
  322    H    LEU 582           HN       LEU 582  64.757   1.573  -2.475
  323    HA   LEU 582           HA       LEU 582  65.931  -0.428  -0.693
  324    HB2  LEU 582           HB2      LEU 582  64.731   1.487   0.673
  325    HB3  LEU 582           HB1      LEU 582  63.270   0.619   0.211
  326    HG   LEU 582           HG       LEU 582  64.361  -1.479   1.087
  327   HD11  LEU 582          HD11      LEU 582  66.564  -1.356   1.526
  328   HD12  LEU 582          HD12      LEU 582  66.149  -0.388   2.939
  329   HD13  LEU 582          HD13      LEU 582  66.547   0.404   1.418
  330   HD21  LEU 582          HD21      LEU 582  63.490   0.868   2.690
  331   HD22  LEU 582          HD22      LEU 582  64.253  -0.448   3.581
  332   HD23  LEU 582          HD23      LEU 582  62.809  -0.756   2.617
  333    H    ASN 583           HN       ASN 583  64.663  -2.389  -0.593
  334    HA   ASN 583           HA       ASN 583  62.385  -2.606  -2.475
  335    HB2  ASN 583           HB2      ASN 583  64.133  -3.154  -3.981
  336    HB3  ASN 583           HB1      ASN 583  65.038  -4.027  -2.746
  337   HD21  ASN 583          HD21      ASN 583  61.682  -4.208  -4.094
  338   HD22  ASN 583          HD22      ASN 583  61.695  -5.896  -4.272
  339    H    LYS 584           HN       LYS 584  60.847  -3.763  -1.447
  340    HA   LYS 584           HA       LYS 584  61.043  -4.911   1.094
  341    HB2  LYS 584           HB2      LYS 584  58.870  -4.548   0.194
  342    HB3  LYS 584           HB1      LYS 584  59.219  -5.507  -1.241
  343    HG2  LYS 584           HG2      LYS 584  57.793  -6.804   0.245
  344    HG3  LYS 584           HG1      LYS 584  59.393  -7.539   0.208
  345    HD2  LYS 584           HD2      LYS 584  58.520  -7.391   2.520
  346    HD3  LYS 584           HD1      LYS 584  59.974  -6.416   2.318
  347    HE2  LYS 584           HE2      LYS 584  58.852  -4.445   2.609
  348    HE3  LYS 584           HE1      LYS 584  57.425  -5.016   1.746
  349    HZ1  LYS 584           HZ1      LYS 584  57.890  -4.930   4.527
  350    HZ2  LYS 584           HZ2      LYS 584  57.630  -6.541   4.052
  351    HZ3  LYS 584           HZ3      LYS 584  56.471  -5.350   3.699
  352    H    GLY 585           HN       GLY 585  61.861  -6.319  -2.015
  353    HA2  GLY 585           HA2      GLY 585  61.982  -9.054  -1.316
  354    HA3  GLY 585           HA1      GLY 585  62.965  -8.304  -2.565
  355    H    THR 586           HN       THR 586  64.218  -6.447  -0.516
  356    HA   THR 586           HA       THR 586  65.741  -8.406   1.123
  357    HB   THR 586           HB       THR 586  67.899  -7.536   0.300
  358    HG1  THR 586           HG1      THR 586  66.303  -6.172  -1.607
  359   HG21  THR 586          HG21      THR 586  67.847  -8.590  -1.912
  360   HG22  THR 586          HG22      THR 586  66.088  -8.468  -1.949
  361   HG23  THR 586          HG23      THR 586  66.875  -9.526  -0.777
  362    H    PHE 587           HN       PHE 587  63.878  -6.206   1.810
  363    HA   PHE 587           HA       PHE 587  65.775  -4.279   3.072
  364    HB2  PHE 587           HB2      PHE 587  64.154  -2.686   2.959
  365    HB3  PHE 587           HB1      PHE 587  63.443  -3.733   1.746
  366    HD1  PHE 587           HD1      PHE 587  62.155  -5.878   3.030
  367    HD2  PHE 587           HD2      PHE 587  62.599  -1.854   4.472
  368    HE1  PHE 587           HE1      PHE 587  60.166  -6.175   4.480
  369    HE2  PHE 587           HE2      PHE 587  60.608  -2.154   5.917
  370    HZ   PHE 587           HZ       PHE 587  59.393  -4.314   5.923
  371    H    LYS 588           HN       LYS 588  64.780  -3.498   5.262
  372    HA   LYS 588           HA       LYS 588  63.723  -5.722   6.904
  373    HB2  LYS 588           HB2      LYS 588  66.382  -4.337   7.280
  374    HB3  LYS 588           HB1      LYS 588  65.515  -4.996   8.663
  375    HG2  LYS 588           HG2      LYS 588  66.152  -6.638   6.198
  376    HG3  LYS 588           HG1      LYS 588  67.227  -6.549   7.591
  377    HD2  LYS 588           HD2      LYS 588  66.020  -8.178   8.565
  378    HD3  LYS 588           HD1      LYS 588  64.665  -7.055   8.658
  379    HE2  LYS 588           HE2      LYS 588  63.829  -7.773   6.513
  380    HE3  LYS 588           HE1      LYS 588  65.276  -8.734   6.211
  381    HZ1  LYS 588           HZ1      LYS 588  64.699 -10.240   7.898
  382    HZ2  LYS 588           HZ2      LYS 588  63.263  -9.977   7.028
  383    HZ3  LYS 588           HZ3      LYS 588  63.501  -9.219   8.530
  384    H    GLU 589           HN       GLU 589  63.050  -4.746   9.115
  385    HA   GLU 589           HA       GLU 589  62.601  -1.817   8.878
  386    HB2  GLU 589           HB2      GLU 589  60.308  -1.930   9.106
  387    HB3  GLU 589           HB1      GLU 589  60.591  -3.407   8.185
  388    HG2  GLU 589           HG2      GLU 589  60.802  -4.574  10.476
  389    HG3  GLU 589           HG1      GLU 589  60.077  -3.114  11.146
  390    H    GLN 590           HN       GLN 590  62.351  -0.735  10.833
  391    HA   GLN 590           HA       GLN 590  62.514  -2.202  13.375
  392    HB2  GLN 590           HB2      GLN 590  64.898  -1.902  12.452
  393    HB3  GLN 590           HB1      GLN 590  64.655  -0.175  12.689
  394    HG2  GLN 590           HG2      GLN 590  65.713  -0.939  14.678
  395    HG3  GLN 590           HG1      GLN 590  64.016  -0.735  15.103
  396   HE21  GLN 590          HE21      GLN 590  65.415  -3.434  13.211
  397   HE22  GLN 590          HE22      GLN 590  65.011  -4.640  14.335
  398    H    ASN 591           HN       ASN 591  61.863  -0.830  15.121
  399    HA   ASN 591           HA       ASN 591  60.635   0.933  16.053
  400    HB2  ASN 591           HB2      ASN 591  62.511   2.367  14.170
  401    HB3  ASN 591           HB1      ASN 591  61.387   3.240  15.206
  402   HD21  ASN 591          HD21      ASN 591  64.521   2.061  15.116
  403   HD22  ASN 591          HD22      ASN 591  64.815   1.951  16.784
  404    H    ASP 592           HN       ASP 592  59.750  -0.356  13.374
  405    HA   ASP 592           HA       ASP 592  57.716  -0.185  12.191
  406    HB2  ASP 592           HB2      ASP 592  57.190   1.434  14.288
  407    HB3  ASP 592           HB1      ASP 592  57.195   2.630  12.990
  408    H    LYS 593           HN       LYS 593  60.377   0.733  11.202
  409    HA   LYS 593           HA       LYS 593  59.327   2.265   8.898
  410    HB2  LYS 593           HB2      LYS 593  61.879   3.384   9.353
  411    HB3  LYS 593           HB1      LYS 593  60.319   4.189   9.487
  412    HG2  LYS 593           HG2      LYS 593  60.204   3.240  11.868
  413    HG3  LYS 593           HG1      LYS 593  61.914   2.856  11.676
  414    HD2  LYS 593           HD2      LYS 593  62.391   5.223  11.165
  415    HD3  LYS 593           HD1      LYS 593  60.682   5.609  11.367
  416    HE2  LYS 593           HE2      LYS 593  60.832   4.712  13.715
  417    HE3  LYS 593           HE1      LYS 593  62.575   4.560  13.488
  418    HZ1  LYS 593           HZ1      LYS 593  62.618   6.953  12.943
  419    HZ2  LYS 593           HZ2      LYS 593  62.109   6.641  14.534
  420    HZ3  LYS 593           HZ3      LYS 593  60.972   7.053  13.341
  421    HA   PRO 594           HA       PRO 594  61.850  -0.550   6.637
  422    HB2  PRO 594           HB2      PRO 594  62.576   1.025   4.508
  423    HB3  PRO 594           HB1      PRO 594  60.981   0.293   4.711
  424    HG2  PRO 594           HG2      PRO 594  61.839   3.110   5.160
  425    HG3  PRO 594           HG1      PRO 594  60.294   2.487   4.575
  426    HD2  PRO 594           HD2      PRO 594  60.726   3.400   7.164
  427    HD3  PRO 594           HD1      PRO 594  59.447   2.244   6.714
  428    H    TYR 595           HN       TYR 595  63.955  -1.105   6.077
  429    HA   TYR 595           HA       TYR 595  66.189   0.767   6.272
  430    HB2  TYR 595           HB2      TYR 595  65.735  -1.368   8.387
  431    HB3  TYR 595           HB1      TYR 595  67.294  -0.600   8.109
  432    HD1  TYR 595           HD1      TYR 595  67.428   1.958   8.272
  433    HD2  TYR 595           HD2      TYR 595  64.099  -0.325   9.729
  434    HE1  TYR 595           HE1      TYR 595  66.735   3.871   9.692
  435    HE2  TYR 595           HE2      TYR 595  63.411   1.587  11.143
  436    HH   TYR 595           HH       TYR 595  64.601   4.699  10.741
  437    H    CYS 596           HN       CYS 596  67.595  -0.005   4.703
  438    HA   CYS 596           HA       CYS 596  67.197  -2.406   3.286
  439    HB2  CYS 596           HB2      CYS 596  70.026  -1.547   3.628
  440    HB3  CYS 596           HB1      CYS 596  69.137  -1.910   2.153
  441    H    GLN 597           HN       GLN 597  68.020  -4.504   3.530
  442    HA   GLN 597           HA       GLN 597  68.330  -5.560   6.109
  443    HB2  GLN 597           HB2      GLN 597  68.083  -7.317   4.674
  444    HB3  GLN 597           HB1      GLN 597  68.847  -6.441   3.354
  445    HG2  GLN 597           HG2      GLN 597  70.195  -8.399   3.947
  446    HG3  GLN 597           HG1      GLN 597  71.076  -6.926   4.338
  447   HE21  GLN 597          HE21      GLN 597  68.460  -7.549   6.508
  448   HE22  GLN 597          HE22      GLN 597  69.379  -8.200   7.777
  449    H    ASN 598           HN       ASN 598  70.741  -4.214   3.916
  450    HA   ASN 598           HA       ASN 598  73.049  -4.851   5.514
  451    HB2  ASN 598           HB2      ASN 598  74.224  -3.706   3.917
  452    HB3  ASN 598           HB1      ASN 598  72.720  -3.841   3.014
  453   HD21  ASN 598          HD21      ASN 598  74.329  -1.651   5.377
  454   HD22  ASN 598          HD22      ASN 598  73.685  -0.222   4.721
  455    H    CYS 599           HN       CYS 599  70.809  -2.122   5.390
  456    HA   CYS 599           HA       CYS 599  72.177  -0.507   7.358
  457    HB2  CYS 599           HB2      CYS 599  69.417  -0.544   6.167
  458    HB3  CYS 599           HB1      CYS 599  69.691   0.391   7.632
  459    H    PHE 600           HN       PHE 600  69.175  -2.464   7.613
  460    HA   PHE 600           HA       PHE 600  68.867  -2.460  10.405
  461    HB2  PHE 600           HB2      PHE 600  67.193  -3.518   9.052
  462    HB3  PHE 600           HB1      PHE 600  68.365  -4.610   8.327
  463    HD1  PHE 600           HD1      PHE 600  66.182  -3.995  11.184
  464    HD2  PHE 600           HD2      PHE 600  69.361  -6.462   9.677
  465    HE1  PHE 600           HE1      PHE 600  65.709  -5.683  12.939
  466    HE2  PHE 600           HE2      PHE 600  68.890  -8.144  11.436
  467    HZ   PHE 600           HZ       PHE 600  67.062  -7.755  13.065
  468    H    LEU 601           HN       LEU 601  70.849  -4.590   8.388
  469    HA   LEU 601           HA       LEU 601  71.992  -6.191  10.447
  470    HB2  LEU 601           HB2      LEU 601  72.185  -6.739   8.070
  471    HB3  LEU 601           HB1      LEU 601  73.097  -5.264   7.777
  472    HG   LEU 601           HG       LEU 601  74.782  -6.186   9.507
  473   HD11  LEU 601          HD11      LEU 601  73.233  -8.702   8.814
  474   HD12  LEU 601          HD12      LEU 601  73.338  -7.958  10.409
  475   HD13  LEU 601          HD13      LEU 601  74.774  -8.666   9.671
  476   HD21  LEU 601          HD21      LEU 601  74.279  -7.279   6.744
  477   HD22  LEU 601          HD22      LEU 601  75.682  -7.805   7.677
  478   HD23  LEU 601          HD23      LEU 601  75.485  -6.102   7.262
  479    H    LYS 602           HN       LYS 602  72.558  -2.947   9.371
  480    HA   LYS 602           HA       LYS 602  75.081  -2.626  10.862
  481    HB2  LYS 602           HB2      LYS 602  74.044  -1.443   8.600
  482    HB3  LYS 602           HB1      LYS 602  73.716  -0.227   9.826
  483    HG2  LYS 602           HG2      LYS 602  75.875   0.299   9.021
  484    HG3  LYS 602           HG1      LYS 602  76.156  -0.530  10.552
  485    HD2  LYS 602           HD2      LYS 602  77.684  -1.545   9.044
  486    HD3  LYS 602           HD1      LYS 602  76.344  -2.687   9.146
  487    HE2  LYS 602           HE2      LYS 602  75.546  -2.150   7.023
  488    HE3  LYS 602           HE1      LYS 602  76.290  -0.551   7.035
  489    HZ1  LYS 602           HZ1      LYS 602  77.535  -1.929   5.577
  490    HZ2  LYS 602           HZ2      LYS 602  77.657  -3.167   6.734
  491    HZ3  LYS 602           HZ3      LYS 602  78.477  -1.697   6.969
  492    H    LEU 603           HN       LEU 603  71.683  -1.604  11.066
  493    HA   LEU 603           HA       LEU 603  72.173  -0.016  13.482
  494    HB2  LEU 603           HB2      LEU 603  69.431  -0.835  12.571
  495    HB3  LEU 603           HB1      LEU 603  69.947   0.669  13.316
  496    HG   LEU 603           HG       LEU 603  70.493  -0.227  10.481
  497   HD11  LEU 603          HD11      LEU 603  69.194   1.818   9.930
  498   HD12  LEU 603          HD12      LEU 603  68.900   2.067  11.651
  499   HD13  LEU 603          HD13      LEU 603  68.241   0.646  10.841
  500   HD21  LEU 603          HD21      LEU 603  71.515   2.152  12.049
  501   HD22  LEU 603          HD22      LEU 603  71.511   2.099  10.286
  502   HD23  LEU 603          HD23      LEU 603  72.468   0.934  11.200
  503    H    PHE 604           HN       PHE 604  70.212  -2.902  12.730
  504    HA   PHE 604           HA       PHE 604  69.756  -3.524  15.518
  505    HB2  PHE 604           HB2      PHE 604  68.391  -4.206  13.389
  506    HB3  PHE 604           HB1      PHE 604  69.526  -5.553  13.313
  507    HD1  PHE 604           HD1      PHE 604  67.123  -3.812  15.582
  508    HD2  PHE 604           HD2      PHE 604  69.280  -7.430  14.736
  509    HE1  PHE 604           HE1      PHE 604  65.846  -4.987  17.352
  510    HE2  PHE 604           HE2      PHE 604  68.002  -8.605  16.506
  511    HZ   PHE 604           HZ       PHE 604  66.286  -7.384  17.814
  512    H    CYS 605           HN       CYS 605  72.328  -4.176  13.300
  513    HA   CYS 605           HA       CYS 605  73.669  -5.789  15.404
  514    HB2  CYS 605           HB2      CYS 605  72.454  -7.204  13.530
  515    HB3  CYS 605           HB1      CYS 605  73.862  -6.757  12.569
  516    HG   CYS 605           HG       CYS 605  75.369  -7.857  14.470
  Start of MODEL   15
    1    H    TYR 541           HT1      TYR 541  35.683   3.415 -12.978
    2    HA   TYR 541           HA       TYR 541  38.135   2.953 -12.903
    3    HB2  TYR 541           HB2      TYR 541  36.709   2.833 -15.582
    4    HB3  TYR 541           HB1      TYR 541  38.106   1.860 -15.122
    5    HD1  TYR 541           HD1      TYR 541  37.916   0.150 -13.326
    6    HD2  TYR 541           HD2      TYR 541  34.499   2.334 -14.746
    7    HE1  TYR 541           HE1      TYR 541  36.412  -1.505 -12.256
    8    HE2  TYR 541           HE2      TYR 541  32.996   0.678 -13.675
    9    HH   TYR 541           HH       TYR 541  33.553  -2.109 -12.955
   10    H    HIS 542           HN       HIS 542  39.320   4.986 -12.631
   11    HA   HIS 542           HA       HIS 542  40.803   5.725 -15.008
   12    HB2  HIS 542           HB2      HIS 542  40.158   8.097 -15.077
   13    HB3  HIS 542           HB1      HIS 542  38.756   7.073 -15.364
   14    HD1  HIS 542           HD1      HIS 542  37.648   6.365 -12.764
   15    HD2  HIS 542           HD2      HIS 542  39.406  10.098 -13.346
   16    HE1  HIS 542           HE1      HIS 542  36.732   7.878 -10.951
   17    H    GLU 543           HN       GLU 543  39.848   6.912 -11.798
   18    HA   GLU 543           HA       GLU 543  42.363   8.147 -11.188
   19    HB2  GLU 543           HB2      GLU 543  39.972   7.279  -9.614
   20    HB3  GLU 543           HB1      GLU 543  41.458   7.635  -8.732
   21    HG2  GLU 543           HG2      GLU 543  41.541   9.870  -9.585
   22    HG3  GLU 543           HG1      GLU 543  40.281   9.534 -10.772
   23    H    ARG 544           HN       ARG 544  41.046   5.167  -9.703
   24    HA   ARG 544           HA       ARG 544  43.706   4.290  -8.919
   25    HB2  ARG 544           HB2      ARG 544  41.722   3.684  -7.587
   26    HB3  ARG 544           HB1      ARG 544  41.073   2.782  -8.953
   27    HG2  ARG 544           HG2      ARG 544  42.118   1.036  -7.875
   28    HG3  ARG 544           HG1      ARG 544  43.487   1.611  -8.818
   29    HD2  ARG 544           HD2      ARG 544  44.612   2.201  -6.967
   30    HD3  ARG 544           HD1      ARG 544  43.248   3.136  -6.364
   31    HE   ARG 544           HE       ARG 544  44.091   0.657  -5.309
   32   HH11  ARG 544          HH11      ARG 544  42.753  -0.778  -4.229
   33   HH12  ARG 544          HH12      ARG 544  41.036  -0.656  -4.413
   34   HH21  ARG 544          HH21      ARG 544  41.184   2.052  -6.563
   35   HH22  ARG 544          HH22      ARG 544  40.151   0.940  -5.732
   36    H    ARG 545           HN       ARG 545  45.113   3.529 -10.397
   37    HA   ARG 545           HA       ARG 545  44.056   1.918 -12.687
   38    HB2  ARG 545           HB2      ARG 545  46.738   3.311 -12.585
   39    HB3  ARG 545           HB1      ARG 545  45.883   2.696 -14.001
   40    HG2  ARG 545           HG2      ARG 545  44.016   4.367 -13.364
   41    HG3  ARG 545           HG1      ARG 545  45.225   5.117 -12.323
   42    HD2  ARG 545           HD2      ARG 545  46.698   5.492 -14.221
   43    HD3  ARG 545           HD1      ARG 545  45.599   4.615 -15.286
   44    HE   ARG 545           HE       ARG 545  44.026   6.636 -14.215
   45   HH11  ARG 545          HH11      ARG 545  43.803   8.655 -15.188
   46   HH12  ARG 545          HH12      ARG 545  45.046   9.239 -16.242
   47   HH21  ARG 545          HH21      ARG 545  47.043   6.433 -15.884
   48   HH22  ARG 545          HH22      ARG 545  46.877   7.984 -16.635
   49    H    GLY 546           HN       GLY 546  45.464   1.565  -9.748
   50    HA2  GLY 546           HA2      GLY 546  46.136  -1.133  -9.973
   51    HA3  GLY 546           HA1      GLY 546  47.627  -0.263 -10.338
   52    H    SER 547           HN       SER 547  48.885   0.168  -8.610
   53    HA   SER 547           HA       SER 547  47.587   0.374  -5.916
   54    HB2  SER 547           HB2      SER 547  49.728  -1.327  -6.878
   55    HB3  SER 547           HB1      SER 547  50.301  -0.301  -5.567
   56    HG   SER 547           HG       SER 547  47.918  -1.852  -5.516
   57    H    LEU 548           HN       LEU 548  47.873   2.360  -4.989
   58    HA   LEU 548           HA       LEU 548  49.519   4.365  -6.260
   59    HB2  LEU 548           HB2      LEU 548  47.851   4.254  -3.772
   60    HB3  LEU 548           HB1      LEU 548  48.995   5.574  -3.970
   61    HG   LEU 548           HG       LEU 548  47.976   6.216  -6.083
   62   HD11  LEU 548          HD11      LEU 548  46.329   3.721  -5.646
   63   HD12  LEU 548          HD12      LEU 548  47.316   4.147  -7.044
   64   HD13  LEU 548          HD13      LEU 548  45.810   5.008  -6.735
   65   HD21  LEU 548          HD21      LEU 548  45.789   6.939  -5.264
   66   HD22  LEU 548          HD22      LEU 548  46.967   7.052  -3.957
   67   HD23  LEU 548          HD23      LEU 548  45.826   5.707  -4.002
   68    H    CYS 549           HN       CYS 549  51.559   5.039  -5.739
   69    HA   CYS 549           HA       CYS 549  53.181   3.333  -4.008
   70    HB2  CYS 549           HB2      CYS 549  54.516   4.052  -5.741
   71    HB3  CYS 549           HB1      CYS 549  53.646   5.572  -5.918
   72    H    SER 550           HN       SER 550  52.997   3.641  -1.834
   73    HA   SER 550           HA       SER 550  51.878   5.888  -0.582
   74    HB2  SER 550           HB2      SER 550  54.079   4.138   0.547
   75    HB3  SER 550           HB1      SER 550  52.976   5.145   1.476
   76    HG   SER 550           HG       SER 550  52.488   2.784   0.025
   77    H    GLY 551           HN       GLY 551  52.541   7.906  -0.853
   78    HA2  GLY 551           HA2      GLY 551  54.370   9.537  -0.147
   79    HA3  GLY 551           HA1      GLY 551  55.472   8.483  -1.049
   80    H    CYS 552           HN       CYS 552  53.473   7.890  -3.106
   81    HA   CYS 552           HA       CYS 552  53.636  10.454  -4.639
   82    HB2  CYS 552           HB2      CYS 552  53.762   7.556  -5.365
   83    HB3  CYS 552           HB1      CYS 552  53.059   8.668  -6.538
   84    H    GLN 553           HN       GLN 553  51.481   7.967  -3.437
   85    HA   GLN 553           HA       GLN 553  49.149   7.787  -3.451
   86    HB2  GLN 553           HB2      GLN 553  49.430  10.775  -3.922
   87    HB3  GLN 553           HB1      GLN 553  47.894   9.970  -3.606
   88    HG2  GLN 553           HG2      GLN 553  48.595  10.707  -1.474
   89    HG3  GLN 553           HG1      GLN 553  49.048   9.006  -1.502
   90   HE21  GLN 553          HE21      GLN 553  50.980   8.964  -0.305
   91   HE22  GLN 553          HE22      GLN 553  52.330   9.940  -0.634
   92    H    LYS 554           HN       LYS 554  50.729   7.457  -5.907
   93    HA   LYS 554           HA       LYS 554  48.519   7.806  -7.877
   94    HB2  LYS 554           HB2      LYS 554  51.471   8.384  -8.300
   95    HB3  LYS 554           HB1      LYS 554  50.316   8.211  -9.621
   96    HG2  LYS 554           HG2      LYS 554  50.040  10.219  -7.364
   97    HG3  LYS 554           HG1      LYS 554  50.695  10.596  -8.956
   98    HD2  LYS 554           HD2      LYS 554  48.467   9.579  -9.854
   99    HD3  LYS 554           HD1      LYS 554  47.881   9.830  -8.210
  100    HE2  LYS 554           HE2      LYS 554  48.626  12.232  -8.392
  101    HE3  LYS 554           HE1      LYS 554  48.975  11.936 -10.095
  102    HZ1  LYS 554           HZ1      LYS 554  46.508  12.523  -8.903
  103    HZ2  LYS 554           HZ2      LYS 554  46.417  10.954  -9.548
  104    HZ3  LYS 554           HZ3      LYS 554  46.847  12.261 -10.544
  105    HA   PRO 555           HA       PRO 555  48.886   3.442  -8.370
  106    HB2  PRO 555           HB2      PRO 555  48.850   3.868 -11.281
  107    HB3  PRO 555           HB1      PRO 555  47.729   2.966 -10.253
  108    HG2  PRO 555           HG2      PRO 555  47.237   5.467 -11.386
  109    HG3  PRO 555           HG1      PRO 555  46.333   4.755 -10.049
  110    HD2  PRO 555           HD2      PRO 555  48.131   7.043  -9.994
  111    HD3  PRO 555           HD1      PRO 555  47.112   6.403  -8.679
  112    H    ILE 556           HN       ILE 556  50.361   1.846  -8.996
  113    HA   ILE 556           HA       ILE 556  53.021   2.874  -9.865
  114    HB   ILE 556           HB       ILE 556  52.181   0.455  -8.245
  115   HG12  ILE 556          HG12      ILE 556  54.072   2.640  -7.391
  116   HG13  ILE 556          HG11      ILE 556  52.334   2.908  -7.305
  117   HG21  ILE 556          HG21      ILE 556  54.054  -0.269  -9.550
  118   HG22  ILE 556          HG22      ILE 556  54.714   0.182  -7.978
  119   HG23  ILE 556          HG23      ILE 556  54.880   1.276  -9.350
  120   HD11  ILE 556          HD11      ILE 556  52.714   0.358  -6.196
  121   HD12  ILE 556          HD12      ILE 556  52.362   1.846  -5.317
  122   HD13  ILE 556          HD13      ILE 556  54.032   1.334  -5.549
  123    H    THR 557           HN       THR 557  52.789   2.698 -12.114
  124    HA   THR 557           HA       THR 557  51.709   0.270 -13.334
  125    HB   THR 557           HB       THR 557  52.457   1.395 -15.472
  126    HG1  THR 557           HG1      THR 557  54.175   2.574 -14.594
  127   HG21  THR 557          HG21      THR 557  50.218   1.818 -14.854
  128   HG22  THR 557          HG22      THR 557  50.899   3.427 -15.086
  129   HG23  THR 557          HG23      THR 557  50.692   2.784 -13.457
  130    H    GLY 558           HN       GLY 558  52.969  -1.508 -13.009
  131    HA2  GLY 558           HA2      GLY 558  54.896  -2.646 -14.238
  132    HA3  GLY 558           HA1      GLY 558  55.887  -1.314 -13.634
  133    H    ARG 559           HN       ARG 559  57.221  -2.693 -12.337
  134    HA   ARG 559           HA       ARG 559  56.189  -4.606 -10.468
  135    HB2  ARG 559           HB2      ARG 559  58.780  -3.089 -10.727
  136    HB3  ARG 559           HB1      ARG 559  58.467  -4.050  -9.283
  137    HG2  ARG 559           HG2      ARG 559  57.835  -5.446 -11.798
  138    HG3  ARG 559           HG1      ARG 559  59.541  -5.037 -11.618
  139    HD2  ARG 559           HD2      ARG 559  59.632  -6.159  -9.459
  140    HD3  ARG 559           HD1      ARG 559  57.895  -6.466  -9.508
  141    HE   ARG 559           HE       ARG 559  58.852  -7.652 -11.827
  142   HH11  ARG 559          HH11      ARG 559  59.524  -9.800 -11.916
  143   HH12  ARG 559          HH12      ARG 559  60.061 -10.589 -10.471
  144   HH21  ARG 559          HH21      ARG 559  59.568  -7.819  -8.453
  145   HH22  ARG 559          HH22      ARG 559  60.087  -9.470  -8.515
  146    H    CYS 560           HN       CYS 560  56.202  -4.297  -8.055
  147    HA   CYS 560           HA       CYS 560  55.989  -1.526  -7.102
  148    HB2  CYS 560           HB2      CYS 560  53.685  -1.667  -6.394
  149    HB3  CYS 560           HB1      CYS 560  53.742  -2.057  -8.112
  150    HG   CYS 560           HG       CYS 560  53.963  -4.647  -6.726
  151    H    ILE 561           HN       ILE 561  56.479  -1.397  -4.974
  152    HA   ILE 561           HA       ILE 561  57.141  -3.919  -3.579
  153    HB   ILE 561           HB       ILE 561  57.510  -1.179  -2.391
  154   HG12  ILE 561          HG12      ILE 561  58.315  -1.048  -4.750
  155   HG13  ILE 561          HG11      ILE 561  59.637  -0.944  -3.595
  156   HG21  ILE 561          HG21      ILE 561  58.245  -2.772  -0.885
  157   HG22  ILE 561          HG22      ILE 561  59.730  -2.509  -1.800
  158   HG23  ILE 561          HG23      ILE 561  58.715  -3.906  -2.151
  159   HD11  ILE 561          HD11      ILE 561  60.091  -3.362  -3.909
  160   HD12  ILE 561          HD12      ILE 561  60.230  -2.470  -5.424
  161   HD13  ILE 561          HD13      ILE 561  58.792  -3.438  -5.100
  162    H    THR 562           HN       THR 562  56.324  -4.356  -1.434
  163    HA   THR 562           HA       THR 562  53.862  -2.840  -0.688
  164    HB   THR 562           HB       THR 562  54.163  -5.859  -0.720
  165    HG1  THR 562           HG1      THR 562  53.675  -4.457  -2.698
  166   HG21  THR 562          HG21      THR 562  52.795  -5.380   1.137
  167   HG22  THR 562          HG22      THR 562  51.637  -5.633  -0.169
  168   HG23  THR 562          HG23      THR 562  52.047  -3.995   0.341
  169    H    ALA 563           HN       ALA 563  54.581  -1.883   1.158
  170    HA   ALA 563           HA       ALA 563  56.316  -3.361   3.027
  171    HB1  ALA 563           HB1      ALA 563  56.525  -1.268   4.199
  172    HB2  ALA 563           HB2      ALA 563  55.128  -0.597   3.357
  173    HB3  ALA 563           HB3      ALA 563  56.623  -0.907   2.475
  174    H    MET 564           HN       MET 564  54.690  -1.523   5.083
  175    HA   MET 564           HA       MET 564  53.121  -3.723   6.157
  176    HB2  MET 564           HB2      MET 564  53.198  -0.777   6.874
  177    HB3  MET 564           HB1      MET 564  52.367  -2.013   7.815
  178    HG2  MET 564           HG2      MET 564  54.508  -3.196   8.157
  179    HG3  MET 564           HG1      MET 564  55.342  -1.954   7.224
  180    HE1  MET 564           HE1      MET 564  56.567  -2.292  10.205
  181    HE2  MET 564           HE2      MET 564  55.141  -3.327  10.184
  182    HE3  MET 564           HE3      MET 564  55.319  -2.111  11.445
  183    H    ALA 565           HN       ALA 565  52.127  -3.691   3.804
  184    HA   ALA 565           HA       ALA 565  50.042  -3.632   2.696
  185    HB1  ALA 565           HB1      ALA 565  48.916  -1.568   4.548
  186    HB2  ALA 565           HB2      ALA 565  49.181  -3.186   5.198
  187    HB3  ALA 565           HB3      ALA 565  48.125  -2.958   3.805
  188    H    LYS 566           HN       LYS 566  52.069  -1.080   3.553
  189    HA   LYS 566           HA       LYS 566  50.873   0.949   1.810
  190    HB2  LYS 566           HB2      LYS 566  53.366   0.750   3.487
  191    HB3  LYS 566           HB1      LYS 566  53.133   2.084   2.361
  192    HG2  LYS 566           HG2      LYS 566  50.868   1.410   4.182
  193    HG3  LYS 566           HG1      LYS 566  52.269   2.206   4.886
  194    HD2  LYS 566           HD2      LYS 566  52.096   4.030   3.260
  195    HD3  LYS 566           HD1      LYS 566  50.738   3.218   2.477
  196    HE2  LYS 566           HE2      LYS 566  49.623   4.706   3.883
  197    HE3  LYS 566           HE1      LYS 566  49.690   3.257   4.888
  198    HZ1  LYS 566           HZ1      LYS 566  50.459   5.537   5.831
  199    HZ2  LYS 566           HZ2      LYS 566  51.901   5.189   5.003
  200    HZ3  LYS 566           HZ3      LYS 566  51.330   4.130   6.202
  201    H    LYS 567           HN       LYS 567  51.391   1.200  -0.336
  202    HA   LYS 567           HA       LYS 567  53.413  -0.637  -1.476
  203    HB2  LYS 567           HB2      LYS 567  51.156   0.993  -2.614
  204    HB3  LYS 567           HB1      LYS 567  52.434   0.388  -3.668
  205    HG2  LYS 567           HG2      LYS 567  50.482  -1.171  -3.500
  206    HG3  LYS 567           HG1      LYS 567  52.001  -1.896  -2.973
  207    HD2  LYS 567           HD2      LYS 567  51.426  -1.735  -0.685
  208    HD3  LYS 567           HD1      LYS 567  50.157  -0.549  -1.000
  209    HE2  LYS 567           HE2      LYS 567  48.668  -2.150  -1.812
  210    HE3  LYS 567           HE1      LYS 567  49.958  -3.277  -2.227
  211    HZ1  LYS 567           HZ1      LYS 567  48.493  -3.630  -0.107
  212    HZ2  LYS 567           HZ2      LYS 567  49.601  -2.543   0.585
  213    HZ3  LYS 567           HZ3      LYS 567  50.148  -4.003  -0.092
  214    H    PHE 568           HN       PHE 568  54.784   0.337  -3.275
  215    HA   PHE 568           HA       PHE 568  55.442   3.200  -3.016
  216    HB2  PHE 568           HB2      PHE 568  57.306   0.998  -2.071
  217    HB3  PHE 568           HB1      PHE 568  57.879   2.603  -2.507
  218    HD1  PHE 568           HD1      PHE 568  56.042   0.604  -0.041
  219    HD2  PHE 568           HD2      PHE 568  57.260   4.573  -1.148
  220    HE1  PHE 568           HE1      PHE 568  55.498   1.407   2.240
  221    HE2  PHE 568           HE2      PHE 568  56.712   5.375   1.134
  222    HZ   PHE 568           HZ       PHE 568  55.832   3.792   2.828
  223    H    HIS 569           HN       HIS 569  56.388   3.897  -4.955
  224    HA   HIS 569           HA       HIS 569  56.473   2.155  -7.218
  225    HB2  HIS 569           HB2      HIS 569  57.734   4.832  -6.613
  226    HB3  HIS 569           HB1      HIS 569  58.155   3.976  -8.092
  227    HD2  HIS 569           HD2      HIS 569  55.585   3.232  -9.588
  228    HE1  HIS 569           HE1      HIS 569  53.745   6.789  -8.246
  229    HE2  HIS 569           HE2      HIS 569  53.602   4.885  -9.930
  230    HA   PRO 570           HA       PRO 570  60.002  -0.342  -6.155
  231    HB2  PRO 570           HB2      PRO 570  60.695  -0.166  -9.031
  232    HB3  PRO 570           HB1      PRO 570  60.384  -1.589  -8.028
  233    HG2  PRO 570           HG2      PRO 570  58.604  -0.629  -9.887
  234    HG3  PRO 570           HG1      PRO 570  58.144  -1.577  -8.472
  235    HD2  PRO 570           HD2      PRO 570  57.683   1.284  -9.010
  236    HD3  PRO 570           HD1      PRO 570  56.902   0.222  -7.811
  237    H    GLU 571           HN       GLU 571  60.178   2.777  -7.486
  238    HA   GLU 571           HA       GLU 571  63.132   2.909  -7.050
  239    HB2  GLU 571           HB2      GLU 571  63.079   4.918  -8.495
  240    HB3  GLU 571           HB1      GLU 571  62.449   3.505  -9.341
  241    HG2  GLU 571           HG2      GLU 571  60.164   4.204  -8.934
  242    HG3  GLU 571           HG1      GLU 571  60.705   5.529  -7.910
  243    H    HIS 572           HN       HIS 572  60.061   3.914  -5.867
  244    HA   HIS 572           HA       HIS 572  61.255   6.217  -4.406
  245    HB2  HIS 572           HB2      HIS 572  58.369   5.326  -4.705
  246    HB3  HIS 572           HB1      HIS 572  58.891   6.710  -3.744
  247    HD2  HIS 572           HD2      HIS 572  61.260   7.373  -6.268
  248    HE1  HIS 572           HE1      HIS 572  57.751   8.525  -8.302
  249    HE2  HIS 572           HE2      HIS 572  60.287   8.676  -8.293
  250    H    PHE 573           HN       PHE 573  60.556   2.934  -3.992
  251    HA   PHE 573           HA       PHE 573  59.968   2.997  -1.141
  252    HB2  PHE 573           HB2      PHE 573  59.332   1.072  -2.601
  253    HB3  PHE 573           HB1      PHE 573  61.041   0.741  -2.867
  254    HD1  PHE 573           HD1      PHE 573  61.827  -1.065  -1.630
  255    HD2  PHE 573           HD2      PHE 573  58.908   1.550   0.126
  256    HE1  PHE 573           HE1      PHE 573  61.899  -2.390   0.465
  257    HE2  PHE 573           HE2      PHE 573  58.979   0.224   2.219
  258    HZ   PHE 573           HZ       PHE 573  60.474  -1.747   2.388
  259    H    VAL 574           HN       VAL 574  61.639   4.318  -0.304
  260    HA   VAL 574           HA       VAL 574  64.405   3.239  -0.582
  261    HB   VAL 574           HB       VAL 574  65.167   5.471   0.124
  262   HG11  VAL 574          HG11      VAL 574  64.150   4.784  -2.315
  263   HG12  VAL 574          HG12      VAL 574  64.942   6.324  -1.980
  264   HG13  VAL 574          HG13      VAL 574  63.182   6.211  -1.945
  265   HG21  VAL 574          HG21      VAL 574  62.191   6.070   0.241
  266   HG22  VAL 574          HG22      VAL 574  63.458   7.295   0.321
  267   HG23  VAL 574          HG23      VAL 574  63.319   6.086   1.597
  268    H    CYS 575           HN       CYS 575  65.777   3.712   1.445
  269    HA   CYS 575           HA       CYS 575  64.545   2.336   3.699
  270    HB2  CYS 575           HB2      CYS 575  66.851   1.870   3.236
  271    HB3  CYS 575           HB1      CYS 575  67.265   3.580   3.239
  272    H    ALA 576           HN       ALA 576  63.667   3.274   5.501
  273    HA   ALA 576           HA       ALA 576  63.298   6.155   5.590
  274    HB1  ALA 576           HB1      ALA 576  61.532   4.867   6.518
  275    HB2  ALA 576           HB2      ALA 576  62.335   5.588   7.911
  276    HB3  ALA 576           HB3      ALA 576  62.639   3.902   7.494
  277    H    PHE 577           HN       PHE 577  66.068   5.445   5.565
  278    HA   PHE 577           HA       PHE 577  66.935   6.766   8.078
  279    HB2  PHE 577           HB2      PHE 577  67.177   4.116   8.035
  280    HB3  PHE 577           HB1      PHE 577  68.588   4.484   7.048
  281    HD1  PHE 577           HD1      PHE 577  66.939   5.535  10.255
  282    HD2  PHE 577           HD2      PHE 577  70.615   4.979   8.101
  283    HE1  PHE 577           HE1      PHE 577  68.223   6.109  12.296
  284    HE2  PHE 577           HE2      PHE 577  71.897   5.554  10.143
  285    HZ   PHE 577           HZ       PHE 577  70.702   6.119  12.241
  286    H    CYS 578           HN       CYS 578  68.342   5.236   5.178
  287    HA   CYS 578           HA       CYS 578  70.030   7.648   4.773
  288    HB2  CYS 578           HB2      CYS 578  71.009   6.154   2.910
  289    HB3  CYS 578           HB1      CYS 578  71.303   5.652   4.573
  290    H    LEU 579           HN       LEU 579  67.194   6.104   3.587
  291    HA   LEU 579           HA       LEU 579  65.732   6.599   1.833
  292    HB2  LEU 579           HB2      LEU 579  67.048   9.321   2.089
  293    HB3  LEU 579           HB1      LEU 579  65.524   8.992   1.267
  294    HG   LEU 579           HG       LEU 579  65.112   7.821   3.728
  295   HD11  LEU 579          HD11      LEU 579  66.434  10.474   4.302
  296   HD12  LEU 579          HD12      LEU 579  67.329   8.958   4.390
  297   HD13  LEU 579          HD13      LEU 579  65.943   9.225   5.446
  298   HD21  LEU 579          HD21      LEU 579  64.507  10.662   2.843
  299   HD22  LEU 579          HD22      LEU 579  63.708   9.833   4.179
  300   HD23  LEU 579          HD23      LEU 579  63.514   9.239   2.530
  301    H    LYS 580           HN       LYS 580  68.684   5.854   1.243
  302    HA   LYS 580           HA       LYS 580  69.306   7.149  -1.276
  303    HB2  LYS 580           HB2      LYS 580  70.999   5.370  -1.515
  304    HB3  LYS 580           HB1      LYS 580  71.045   6.057   0.108
  305    HG2  LYS 580           HG2      LYS 580  69.417   4.132   0.742
  306    HG3  LYS 580           HG1      LYS 580  69.936   3.393  -0.772
  307    HD2  LYS 580           HD2      LYS 580  72.275   4.305   0.583
  308    HD3  LYS 580           HD1      LYS 580  71.293   3.415   1.747
  309    HE2  LYS 580           HE2      LYS 580  72.707   1.807   0.652
  310    HE3  LYS 580           HE1      LYS 580  71.077   1.581   0.017
  311    HZ1  LYS 580           HZ1      LYS 580  73.419   2.804  -1.279
  312    HZ2  LYS 580           HZ2      LYS 580  71.855   3.261  -1.760
  313    HZ3  LYS 580           HZ3      LYS 580  72.345   1.639  -1.885
  314    H    GLN 581           HN       GLN 581  68.064   3.906  -0.457
  315    HA   GLN 581           HA       GLN 581  66.075   3.818  -2.468
  316    HB2  GLN 581           HB2      GLN 581  68.620   3.528  -3.597
  317    HB3  GLN 581           HB1      GLN 581  68.043   1.875  -3.420
  318    HG2  GLN 581           HG2      GLN 581  65.915   3.573  -4.396
  319    HG3  GLN 581           HG1      GLN 581  67.331   3.718  -5.435
  320   HE21  GLN 581          HE21      GLN 581  64.853   1.506  -4.277
  321   HE22  GLN 581          HE22      GLN 581  65.217   0.240  -5.345
  322    H    LEU 582           HN       LEU 582  65.124   1.578  -2.544
  323    HA   LEU 582           HA       LEU 582  66.244  -0.363  -0.663
  324    HB2  LEU 582           HB2      LEU 582  64.853   1.507   0.584
  325    HB3  LEU 582           HB1      LEU 582  63.477   0.564   0.022
  326    HG   LEU 582           HG       LEU 582  64.598  -1.470   1.008
  327   HD11  LEU 582          HD11      LEU 582  66.179  -0.287   2.980
  328   HD12  LEU 582          HD12      LEU 582  66.651   0.532   1.493
  329   HD13  LEU 582          HD13      LEU 582  66.755  -1.225   1.603
  330   HD21  LEU 582          HD21      LEU 582  62.902  -0.818   2.409
  331   HD22  LEU 582          HD22      LEU 582  63.479   0.845   2.496
  332   HD23  LEU 582          HD23      LEU 582  64.248  -0.407   3.472
  333    H    ASN 583           HN       ASN 583  65.059  -2.378  -0.649
  334    HA   ASN 583           HA       ASN 583  62.946  -2.703  -2.701
  335    HB2  ASN 583           HB2      ASN 583  64.842  -3.168  -4.057
  336    HB3  ASN 583           HB1      ASN 583  65.667  -4.021  -2.752
  337   HD21  ASN 583          HD21      ASN 583  62.456  -4.295  -4.405
  338   HD22  ASN 583          HD22      ASN 583  62.535  -5.981  -4.581
  339    H    LYS 584           HN       LYS 584  61.390  -3.946  -1.806
  340    HA   LYS 584           HA       LYS 584  61.427  -5.059   0.757
  341    HB2  LYS 584           HB2      LYS 584  59.325  -4.819  -0.335
  342    HB3  LYS 584           HB1      LYS 584  59.845  -5.779  -1.717
  343    HG2  LYS 584           HG2      LYS 584  58.365  -7.130  -0.338
  344    HG3  LYS 584           HG1      LYS 584  59.999  -7.777  -0.213
  345    HD2  LYS 584           HD2      LYS 584  58.896  -7.630   2.005
  346    HD3  LYS 584           HD1      LYS 584  60.325  -6.602   1.917
  347    HE2  LYS 584           HE2      LYS 584  59.105  -4.667   2.040
  348    HE3  LYS 584           HE1      LYS 584  57.775  -5.328   1.090
  349    HZ1  LYS 584           HZ1      LYS 584  56.693  -5.606   2.986
  350    HZ2  LYS 584           HZ2      LYS 584  58.052  -5.167   3.906
  351    HZ3  LYS 584           HZ3      LYS 584  57.830  -6.783   3.431
  352    H    GLY 585           HN       GLY 585  62.570  -6.458  -2.253
  353    HA2  GLY 585           HA2      GLY 585  62.782  -9.173  -1.489
  354    HA3  GLY 585           HA1      GLY 585  63.810  -8.392  -2.681
  355    H    THR 586           HN       THR 586  64.798  -6.433  -0.571
  356    HA   THR 586           HA       THR 586  66.319  -8.288   1.188
  357    HB   THR 586           HB       THR 586  68.469  -7.298   0.521
  358    HG1  THR 586           HG1      THR 586  66.958  -5.987  -1.488
  359   HG21  THR 586          HG21      THR 586  66.874  -8.275  -1.869
  360   HG22  THR 586          HG22      THR 586  67.635  -9.314  -0.664
  361   HG23  THR 586          HG23      THR 586  68.631  -8.302  -1.710
  362    H    PHE 587           HN       PHE 587  64.268  -6.191   1.705
  363    HA   PHE 587           HA       PHE 587  65.948  -4.182   3.135
  364    HB2  PHE 587           HB2      PHE 587  64.284  -2.660   2.852
  365    HB3  PHE 587           HB1      PHE 587  63.717  -3.746   1.598
  366    HD1  PHE 587           HD1      PHE 587  62.397  -5.919   2.774
  367    HD2  PHE 587           HD2      PHE 587  62.595  -1.888   4.248
  368    HE1  PHE 587           HE1      PHE 587  60.309  -6.284   4.060
  369    HE2  PHE 587           HE2      PHE 587  60.504  -2.255   5.528
  370    HZ   PHE 587           HZ       PHE 587  59.363  -4.452   5.436
  371    H    LYS 588           HN       LYS 588  64.748  -3.462   5.228
  372    HA   LYS 588           HA       LYS 588  63.628  -5.737   6.758
  373    HB2  LYS 588           HB2      LYS 588  66.182  -4.249   7.374
  374    HB3  LYS 588           HB1      LYS 588  65.225  -4.953   8.672
  375    HG2  LYS 588           HG2      LYS 588  66.148  -6.548   6.267
  376    HG3  LYS 588           HG1      LYS 588  67.087  -6.427   7.754
  377    HD2  LYS 588           HD2      LYS 588  65.864  -8.112   8.606
  378    HD3  LYS 588           HD1      LYS 588  64.460  -7.045   8.577
  379    HE2  LYS 588           HE2      LYS 588  63.854  -7.782   6.364
  380    HE3  LYS 588           HE1      LYS 588  65.364  -8.675   6.188
  381    HZ1  LYS 588           HZ1      LYS 588  64.646 -10.340   7.519
  382    HZ2  LYS 588           HZ2      LYS 588  63.129  -9.827   6.951
  383    HZ3  LYS 588           HZ3      LYS 588  63.681  -9.329   8.480
  384    H    GLU 589           HN       GLU 589  62.711  -4.813   8.892
  385    HA   GLU 589           HA       GLU 589  62.159  -1.902   8.640
  386    HB2  GLU 589           HB2      GLU 589  59.851  -2.135   8.704
  387    HB3  GLU 589           HB1      GLU 589  60.301  -3.535   7.731
  388    HG2  GLU 589           HG2      GLU 589  60.460  -4.718  10.101
  389    HG3  GLU 589           HG1      GLU 589  59.362  -3.419  10.576
  390    H    GLN 590           HN       GLN 590  61.709  -0.852  10.573
  391    HA   GLN 590           HA       GLN 590  61.656  -2.338  13.106
  392    HB2  GLN 590           HB2      GLN 590  64.114  -2.017  12.446
  393    HB3  GLN 590           HB1      GLN 590  63.836  -0.289  12.634
  394    HG2  GLN 590           HG2      GLN 590  64.688  -1.017  14.731
  395    HG3  GLN 590           HG1      GLN 590  62.954  -0.824  14.975
  396   HE21  GLN 590          HE21      GLN 590  64.596  -3.526  13.292
  397   HE22  GLN 590          HE22      GLN 590  64.075  -4.725  14.374
  398    H    ASN 591           HN       ASN 591  60.808  -0.994  14.783
  399    HA   ASN 591           HA       ASN 591  59.475   0.749  15.600
  400    HB2  ASN 591           HB2      ASN 591  61.531   2.209  13.941
  401    HB3  ASN 591           HB1      ASN 591  60.285   3.075  14.833
  402   HD21  ASN 591          HD21      ASN 591  63.417   1.919  15.119
  403   HD22  ASN 591          HD22      ASN 591  63.513   1.819  16.811
  404    H    ASP 592           HN       ASP 592  58.870  -0.521  12.824
  405    HA   ASP 592           HA       ASP 592  56.977  -0.331  11.430
  406    HB2  ASP 592           HB2      ASP 592  56.164   1.147  13.500
  407    HB3  ASP 592           HB1      ASP 592  56.379   2.452  12.333
  408    H    LYS 593           HN       LYS 593  59.671   0.549  10.683
  409    HA   LYS 593           HA       LYS 593  58.878   2.187   8.359
  410    HB2  LYS 593           HB2      LYS 593  61.314   3.357   9.022
  411    HB3  LYS 593           HB1      LYS 593  59.728   4.095   9.219
  412    HG2  LYS 593           HG2      LYS 593  59.629   2.964  11.507
  413    HG3  LYS 593           HG1      LYS 593  61.336   2.592  11.287
  414    HD2  LYS 593           HD2      LYS 593  61.602   4.619  12.319
  415    HD3  LYS 593           HD1      LYS 593  61.386   5.218  10.675
  416    HE2  LYS 593           HE2      LYS 593  59.871   6.487  12.002
  417    HE3  LYS 593           HE1      LYS 593  58.872   5.278  11.194
  418    HZ1  LYS 593           HZ1      LYS 593  58.851   3.946  13.144
  419    HZ2  LYS 593           HZ2      LYS 593  58.447   5.527  13.619
  420    HZ3  LYS 593           HZ3      LYS 593  60.007   4.922  13.912
  421    HA   PRO 594           HA       PRO 594  61.603  -0.632   6.342
  422    HB2  PRO 594           HB2      PRO 594  62.445   0.959   4.260
  423    HB3  PRO 594           HB1      PRO 594  60.875   0.153   4.335
  424    HG2  PRO 594           HG2      PRO 594  61.559   3.010   4.822
  425    HG3  PRO 594           HG1      PRO 594  60.097   2.309   4.120
  426    HD2  PRO 594           HD2      PRO 594  60.263   3.266   6.719
  427    HD3  PRO 594           HD1      PRO 594  59.094   2.030   6.189
  428    H    TYR 595           HN       TYR 595  63.770  -1.112   5.950
  429    HA   TYR 595           HA       TYR 595  65.905   0.848   6.323
  430    HB2  TYR 595           HB2      TYR 595  65.357  -1.306   8.399
  431    HB3  TYR 595           HB1      TYR 595  66.904  -0.481   8.249
  432    HD1  TYR 595           HD1      TYR 595  63.938  -0.474  10.038
  433    HD2  TYR 595           HD2      TYR 595  66.573   2.227   7.989
  434    HE1  TYR 595           HE1      TYR 595  63.075   1.407  11.401
  435    HE2  TYR 595           HE2      TYR 595  65.702   4.107   9.353
  436    HH   TYR 595           HH       TYR 595  63.938   4.729  10.706
  437    H    CYS 596           HN       CYS 596  67.428   0.141   4.848
  438    HA   CYS 596           HA       CYS 596  67.264  -2.276   3.424
  439    HB2  CYS 596           HB2      CYS 596  70.013  -1.302   3.983
  440    HB3  CYS 596           HB1      CYS 596  69.249  -1.668   2.440
  441    H    GLN 597           HN       GLN 597  68.117  -4.342   3.770
  442    HA   GLN 597           HA       GLN 597  68.271  -5.372   6.362
  443    HB2  GLN 597           HB2      GLN 597  68.236  -7.139   4.918
  444    HB3  GLN 597           HB1      GLN 597  69.083  -6.231   3.671
  445    HG2  GLN 597           HG2      GLN 597  70.454  -8.127   4.401
  446    HG3  GLN 597           HG1      GLN 597  71.227  -6.614   4.863
  447   HE21  GLN 597          HE21      GLN 597  68.447  -7.356   6.778
  448   HE22  GLN 597          HE22      GLN 597  69.270  -7.958   8.133
  449    H    ASN 598           HN       ASN 598  70.826  -3.946   4.386
  450    HA   ASN 598           HA       ASN 598  72.987  -4.468   6.208
  451    HB2  ASN 598           HB2      ASN 598  73.918  -2.295   5.018
  452    HB3  ASN 598           HB1      ASN 598  73.785  -3.805   4.133
  453   HD21  ASN 598          HD21      ASN 598  71.580  -4.094   2.965
  454   HD22  ASN 598          HD22      ASN 598  70.932  -2.710   2.220
  455    H    CYS 599           HN       CYS 599  70.789  -1.758   5.703
  456    HA   CYS 599           HA       CYS 599  71.789  -0.065   7.795
  457    HB2  CYS 599           HB2      CYS 599  69.257  -0.256   6.226
  458    HB3  CYS 599           HB1      CYS 599  69.170   0.608   7.757
  459    H    PHE 600           HN       PHE 600  68.863  -2.153   7.799
  460    HA   PHE 600           HA       PHE 600  68.267  -2.092  10.543
  461    HB2  PHE 600           HB2      PHE 600  66.771  -3.254   9.095
  462    HB3  PHE 600           HB1      PHE 600  68.052  -4.277   8.459
  463    HD1  PHE 600           HD1      PHE 600  69.015  -6.104   9.850
  464    HD2  PHE 600           HD2      PHE 600  65.644  -3.785  11.164
  465    HE1  PHE 600           HE1      PHE 600  68.493  -7.828  11.552
  466    HE2  PHE 600           HE2      PHE 600  65.125  -5.512  12.866
  467    HZ   PHE 600           HZ       PHE 600  66.548  -7.532  13.060
  468    H    LEU 601           HN       LEU 601  70.501  -4.234   8.816
  469    HA   LEU 601           HA       LEU 601  71.489  -5.713  11.032
  470    HB2  LEU 601           HB2      LEU 601  71.950  -6.325   8.709
  471    HB3  LEU 601           HB1      LEU 601  72.830  -4.824   8.459
  472    HG   LEU 601           HG       LEU 601  74.360  -5.623  10.383
  473   HD11  LEU 601          HD11      LEU 601  72.915  -7.430  11.195
  474   HD12  LEU 601          HD12      LEU 601  74.436  -8.103  10.607
  475   HD13  LEU 601          HD13      LEU 601  72.979  -8.215   9.617
  476   HD21  LEU 601          HD21      LEU 601  75.348  -5.589   8.270
  477   HD22  LEU 601          HD22      LEU 601  74.183  -6.730   7.597
  478   HD23  LEU 601          HD23      LEU 601  75.458  -7.302   8.675
  479    H    LYS 602           HN       LYS 602  72.036  -2.478   9.926
  480    HA   LYS 602           HA       LYS 602  74.376  -2.014  11.661
  481    HB2  LYS 602           HB2      LYS 602  73.540  -0.936   9.263
  482    HB3  LYS 602           HB1      LYS 602  73.044   0.299  10.412
  483    HG2  LYS 602           HG2      LYS 602  75.255   0.886   9.821
  484    HG3  LYS 602           HG1      LYS 602  75.404   0.108  11.396
  485    HD2  LYS 602           HD2      LYS 602  77.115  -0.884  10.082
  486    HD3  LYS 602           HD1      LYS 602  75.815  -2.075  10.085
  487    HE2  LYS 602           HE2      LYS 602  75.220  -1.633   7.875
  488    HE3  LYS 602           HE1      LYS 602  75.896  -0.004   7.911
  489    HZ1  LYS 602           HZ1      LYS 602  78.118  -1.011   8.052
  490    HZ2  LYS 602           HZ2      LYS 602  77.305  -1.433   6.621
  491    HZ3  LYS 602           HZ3      LYS 602  77.423  -2.551   7.895
  492    H    LEU 603           HN       LEU 603  70.938  -1.140  11.470
  493    HA   LEU 603           HA       LEU 603  71.103   0.539  13.869
  494    HB2  LEU 603           HB2      LEU 603  68.507  -0.411  12.693
  495    HB3  LEU 603           HB1      LEU 603  68.885   1.132  13.445
  496    HG   LEU 603           HG       LEU 603  69.757   0.185  10.709
  497   HD11  LEU 603          HD11      LEU 603  68.445   2.110   9.936
  498   HD12  LEU 603          HD12      LEU 603  68.044   2.516  11.605
  499   HD13  LEU 603          HD13      LEU 603  67.438   1.021  10.891
  500   HD21  LEU 603          HD21      LEU 603  70.527   2.660  12.280
  501   HD22  LEU 603          HD22      LEU 603  70.768   2.495  10.540
  502   HD23  LEU 603          HD23      LEU 603  71.612   1.420  11.652
  503    H    PHE 604           HN       PHE 604  69.270  -2.407  13.022
  504    HA   PHE 604           HA       PHE 604  68.570  -2.974  15.761
  505    HB2  PHE 604           HB2      PHE 604  67.415  -3.775  13.590
  506    HB3  PHE 604           HB1      PHE 604  68.651  -5.031  13.558
  507    HD1  PHE 604           HD1      PHE 604  66.086  -3.488  15.809
  508    HD2  PHE 604           HD2      PHE 604  68.378  -6.987  14.834
  509    HE1  PHE 604           HE1      PHE 604  64.804  -4.794  17.482
  510    HE2  PHE 604           HE2      PHE 604  67.096  -8.293  16.507
  511    HZ   PHE 604           HZ       PHE 604  65.310  -7.196  17.831
  512    H    CYS 605           HN       CYS 605  71.370  -3.627  13.827
  513    HA   CYS 605           HA       CYS 605  72.538  -5.117  16.124
  514    HB2  CYS 605           HB2      CYS 605  71.617  -6.641  14.198
  515    HB3  CYS 605           HB1      CYS 605  73.054  -6.107  13.329
  516    HG   CYS 605           HG       CYS 605  74.372  -6.977  15.605
  Start of MODEL   16
    1    H    TYR 541           HT1      TYR 541  35.933  -3.632 -18.101
    2    HA   TYR 541           HA       TYR 541  38.813  -3.165 -17.547
    3    HB2  TYR 541           HB2      TYR 541  37.363  -3.801 -20.139
    4    HB3  TYR 541           HB1      TYR 541  39.070  -3.378 -20.003
    5    HD1  TYR 541           HD1      TYR 541  36.560  -5.993 -19.533
    6    HD2  TYR 541           HD2      TYR 541  40.653  -4.896 -18.823
    7    HE1  TYR 541           HE1      TYR 541  37.112  -8.362 -19.053
    8    HE2  TYR 541           HE2      TYR 541  41.204  -7.266 -18.342
    9    HH   TYR 541           HH       TYR 541  39.708  -9.715 -19.232
   10    H    HIS 542           HN       HIS 542  37.781  -1.146 -16.566
   11    HA   HIS 542           HA       HIS 542  37.792   0.976 -18.575
   12    HB2  HIS 542           HB2      HIS 542  35.368  -0.020 -18.373
   13    HB3  HIS 542           HB1      HIS 542  35.326   0.875 -16.855
   14    HD1  HIS 542           HD1      HIS 542  36.416   3.502 -17.301
   15    HD2  HIS 542           HD2      HIS 542  34.402   1.573 -20.399
   16    HE1  HIS 542           HE1      HIS 542  35.703   5.309 -18.926
   17    H    GLU 543           HN       GLU 543  36.947   0.176 -15.213
   18    HA   GLU 543           HA       GLU 543  37.579   2.747 -14.121
   19    HB2  GLU 543           HB2      GLU 543  37.022   0.042 -13.085
   20    HB3  GLU 543           HB1      GLU 543  38.090   0.998 -12.058
   21    HG2  GLU 543           HG2      GLU 543  36.314   2.900 -12.472
   22    HG3  GLU 543           HG1      GLU 543  35.249   1.549 -12.864
   23    H    ARG 544           HN       ARG 544  39.494   3.449 -13.041
   24    HA   ARG 544           HA       ARG 544  41.932   1.789 -13.483
   25    HB2  ARG 544           HB2      ARG 544  41.506   4.668 -14.298
   26    HB3  ARG 544           HB1      ARG 544  43.112   3.962 -14.107
   27    HG2  ARG 544           HG2      ARG 544  40.977   2.743 -15.869
   28    HG3  ARG 544           HG1      ARG 544  42.179   3.883 -16.463
   29    HD2  ARG 544           HD2      ARG 544  43.783   2.135 -15.141
   30    HD3  ARG 544           HD1      ARG 544  42.502   1.047 -15.662
   31    HE   ARG 544           HE       ARG 544  44.572   1.963 -17.325
   32   HH11  ARG 544          HH11      ARG 544  44.421   2.194 -19.547
   33   HH12  ARG 544          HH12      ARG 544  42.864   2.291 -20.298
   34   HH21  ARG 544          HH21      ARG 544  41.110   1.996 -17.333
   35   HH22  ARG 544          HH22      ARG 544  40.999   2.184 -19.049
   36    H    ARG 545           HN       ARG 545  42.672   1.446 -11.446
   37    HA   ARG 545           HA       ARG 545  42.679   3.758  -9.541
   38    HB2  ARG 545           HB2      ARG 545  42.754   0.908  -8.604
   39    HB3  ARG 545           HB1      ARG 545  42.172   2.344  -7.759
   40    HG2  ARG 545           HG2      ARG 545  40.326   2.460  -9.530
   41    HG3  ARG 545           HG1      ARG 545  40.825   0.834  -9.997
   42    HD2  ARG 545           HD2      ARG 545  40.313  -0.046  -7.829
   43    HD3  ARG 545           HD1      ARG 545  40.125   1.571  -7.151
   44    HE   ARG 545           HE       ARG 545  38.209   1.464  -9.155
   45   HH11  ARG 545          HH11      ARG 545  36.099   0.754  -8.789
   46   HH12  ARG 545          HH12      ARG 545  35.776  -0.323  -7.472
   47   HH21  ARG 545          HH21      ARG 545  39.069  -0.455  -6.414
   48   HH22  ARG 545          HH22      ARG 545  37.452  -1.005  -6.131
   49    H    GLY 546           HN       GLY 546  44.256   1.790  -7.763
   50    HA2  GLY 546           HA2      GLY 546  46.581   0.775  -8.579
   51    HA3  GLY 546           HA1      GLY 546  46.887   2.477  -8.912
   52    H    SER 547           HN       SER 547  48.247   3.169  -7.326
   53    HA   SER 547           HA       SER 547  47.320   3.273  -4.571
   54    HB2  SER 547           HB2      SER 547  48.986   1.053  -5.401
   55    HB3  SER 547           HB1      SER 547  49.845   2.051  -4.233
   56    HG   SER 547           HG       SER 547  47.191   1.077  -3.933
   57    H    LEU 548           HN       LEU 548  48.055   5.239  -3.881
   58    HA   LEU 548           HA       LEU 548  50.018   6.708  -5.391
   59    HB2  LEU 548           HB2      LEU 548  48.538   7.182  -2.826
   60    HB3  LEU 548           HB1      LEU 548  49.910   8.207  -3.227
   61    HG   LEU 548           HG       LEU 548  48.890   8.830  -5.350
   62   HD11  LEU 548          HD11      LEU 548  47.736   6.868  -6.023
   63   HD12  LEU 548          HD12      LEU 548  46.473   8.063  -5.732
   64   HD13  LEU 548          HD13      LEU 548  46.797   6.813  -4.531
   65   HD21  LEU 548          HD21      LEU 548  48.251  10.073  -3.274
   66   HD22  LEU 548          HD22      LEU 548  46.844   9.021  -3.118
   67   HD23  LEU 548          HD23      LEU 548  46.988  10.102  -4.504
   68    H    CYS 549           HN       CYS 549  52.181   6.957  -5.042
   69    HA   CYS 549           HA       CYS 549  53.511   5.109  -3.206
   70    HB2  CYS 549           HB2      CYS 549  54.840   5.325  -5.074
   71    HB3  CYS 549           HB1      CYS 549  54.320   6.978  -5.382
   72    H    SER 550           HN       SER 550  53.550   5.677  -1.075
   73    HA   SER 550           HA       SER 550  53.049   8.237  -0.045
   74    HB2  SER 550           HB2      SER 550  54.883   6.150   1.168
   75    HB3  SER 550           HB1      SER 550  54.135   7.490   2.028
   76    HG   SER 550           HG       SER 550  52.970   5.183   0.907
   77    H    GLY 551           HN       GLY 551  54.109   9.999  -0.642
   78    HA2  GLY 551           HA2      GLY 551  56.317  11.230  -0.203
   79    HA3  GLY 551           HA1      GLY 551  57.068   9.877  -1.063
   80    H    CYS 552           HN       CYS 552  54.834   9.570  -2.917
   81    HA   CYS 552           HA       CYS 552  55.399  11.904  -4.700
   82    HB2  CYS 552           HB2      CYS 552  54.797   9.000  -5.173
   83    HB3  CYS 552           HB1      CYS 552  54.400  10.180  -6.420
   84    H    GLN 553           HN       GLN 553  52.881  10.039  -3.135
   85    HA   GLN 553           HA       GLN 553  50.570  10.361  -2.989
   86    HB2  GLN 553           HB2      GLN 553  51.410  13.159  -3.819
   87    HB3  GLN 553           HB1      GLN 553  49.775  12.730  -3.323
   88    HG2  GLN 553           HG2      GLN 553  50.788  13.522  -1.338
   89    HG3  GLN 553           HG1      GLN 553  50.866  11.770  -1.190
   90   HE21  GLN 553          HE21      GLN 553  52.840  11.386  -0.143
   91   HE22  GLN 553          HE22      GLN 553  54.333  12.019  -0.646
   92    H    LYS 554           HN       LYS 554  51.839   9.453  -5.481
   93    HA   LYS 554           HA       LYS 554  49.589  10.054  -7.340
   94    HB2  LYS 554           HB2      LYS 554  52.545   9.935  -8.034
   95    HB3  LYS 554           HB1      LYS 554  51.250   9.944  -9.230
   96    HG2  LYS 554           HG2      LYS 554  51.650  12.108  -7.144
   97    HG3  LYS 554           HG1      LYS 554  52.229  12.216  -8.805
   98    HD2  LYS 554           HD2      LYS 554  49.800  11.743  -9.505
   99    HD3  LYS 554           HD1      LYS 554  49.373  12.088  -7.830
  100    HE2  LYS 554           HE2      LYS 554  50.968  13.989  -9.569
  101    HE3  LYS 554           HE1      LYS 554  49.218  14.083  -9.373
  102    HZ1  LYS 554           HZ1      LYS 554  51.123  14.121  -7.100
  103    HZ2  LYS 554           HZ2      LYS 554  49.457  14.453  -7.058
  104    HZ3  LYS 554           HZ3      LYS 554  50.520  15.525  -7.837
  105    HA   PRO 555           HA       PRO 555  49.036   5.683  -7.366
  106    HB2  PRO 555           HB2      PRO 555  48.895   5.835 -10.307
  107    HB3  PRO 555           HB1      PRO 555  47.693   5.257  -9.145
  108    HG2  PRO 555           HG2      PRO 555  47.592   7.691 -10.491
  109    HG3  PRO 555           HG1      PRO 555  46.682   7.300  -9.029
  110    HD2  PRO 555           HD2      PRO 555  48.891   9.179  -9.340
  111    HD3  PRO 555           HD1      PRO 555  47.871   8.895  -7.906
  112    H    ILE 556           HN       ILE 556  50.129   3.774  -7.847
  113    HA   ILE 556           HA       ILE 556  52.875   4.138  -8.943
  114    HB   ILE 556           HB       ILE 556  51.664   2.110  -7.045
  115   HG12  ILE 556          HG12      ILE 556  54.012   3.924  -6.516
  116   HG13  ILE 556          HG11      ILE 556  52.372   4.548  -6.371
  117   HG21  ILE 556          HG21      ILE 556  54.448   2.260  -8.246
  118   HG22  ILE 556          HG22      ILE 556  53.284   0.950  -8.436
  119   HG23  ILE 556          HG23      ILE 556  54.023   1.251  -6.864
  120   HD11  ILE 556          HD11      ILE 556  53.843   2.798  -4.564
  121   HD12  ILE 556          HD12      ILE 556  52.290   2.100  -5.023
  122   HD13  ILE 556          HD13      ILE 556  52.355   3.698  -4.280
  123    H    THR 557           HN       THR 557  52.551   3.773 -11.140
  124    HA   THR 557           HA       THR 557  50.891   1.561 -12.086
  125    HB   THR 557           HB       THR 557  51.804   2.254 -14.336
  126    HG1  THR 557           HG1      THR 557  53.795   3.064 -13.403
  127   HG21  THR 557          HG21      THR 557  50.859   4.708 -14.036
  128   HG22  THR 557          HG22      THR 557  50.421   4.116 -12.432
  129   HG23  THR 557          HG23      THR 557  49.790   3.315 -13.871
  130    H    GLY 558           HN       GLY 558  51.630  -0.470 -11.857
  131    HA2  GLY 558           HA2      GLY 558  53.206  -2.150 -12.832
  132    HA3  GLY 558           HA1      GLY 558  54.514  -1.032 -12.427
  133    H    ARG 559           HN       ARG 559  55.527  -2.605 -11.006
  134    HA   ARG 559           HA       ARG 559  54.188  -3.950  -8.896
  135    HB2  ARG 559           HB2      ARG 559  57.028  -3.087  -9.366
  136    HB3  ARG 559           HB1      ARG 559  56.563  -3.819  -7.833
  137    HG2  ARG 559           HG2      ARG 559  57.223  -5.640  -9.162
  138    HG3  ARG 559           HG1      ARG 559  55.470  -5.671  -9.252
  139    HD2  ARG 559           HD2      ARG 559  55.513  -5.326 -11.476
  140    HD3  ARG 559           HD1      ARG 559  56.587  -3.942 -11.283
  141    HE   ARG 559           HE       ARG 559  58.258  -6.124 -10.935
  142   HH11  ARG 559          HH11      ARG 559  59.362  -7.108 -12.633
  143   HH12  ARG 559          HH12      ARG 559  58.745  -6.977 -14.246
  144   HH21  ARG 559          HH21      ARG 559  56.003  -5.072 -13.329
  145   HH22  ARG 559          HH22      ARG 559  56.847  -5.826 -14.639
  146    H    CYS 560           HN       CYS 560  54.693  -3.390  -6.506
  147    HA   CYS 560           HA       CYS 560  55.005  -0.558  -5.885
  148    HB2  CYS 560           HB2      CYS 560  52.775  -0.179  -5.000
  149    HB3  CYS 560           HB1      CYS 560  52.635  -0.678  -6.685
  150    HG   CYS 560           HG       CYS 560  52.409  -3.190  -5.242
  151    H    ILE 561           HN       ILE 561  55.675  -0.313  -3.816
  152    HA   ILE 561           HA       ILE 561  55.919  -2.764  -2.174
  153    HB   ILE 561           HB       ILE 561  56.966  -0.055  -1.380
  154   HG12  ILE 561          HG12      ILE 561  57.590  -0.391  -3.765
  155   HG13  ILE 561          HG11      ILE 561  58.994  -0.472  -2.709
  156   HG21  ILE 561          HG21      ILE 561  57.532  -1.507   0.299
  157   HG22  ILE 561          HG22      ILE 561  58.884  -1.849  -0.782
  158   HG23  ILE 561          HG23      ILE 561  57.484  -2.917  -0.760
  159   HD11  ILE 561          HD11      ILE 561  59.093  -2.295  -4.330
  160   HD12  ILE 561          HD12      ILE 561  57.483  -2.837  -3.858
  161   HD13  ILE 561          HD13      ILE 561  58.824  -2.960  -2.720
  162    H    THR 562           HN       THR 562  55.138  -2.852  -0.007
  163    HA   THR 562           HA       THR 562  53.159  -0.734   0.727
  164    HB   THR 562           HB       THR 562  52.829  -3.730   1.089
  165    HG1  THR 562           HG1      THR 562  52.508  -2.829  -1.053
  166   HG21  THR 562          HG21      THR 562  51.731  -2.746   2.920
  167   HG22  THR 562          HG22      THR 562  50.450  -2.881   1.715
  168   HG23  THR 562          HG23      THR 562  51.246  -1.330   1.987
  169    H    ALA 563           HN       ALA 563  54.193   0.247   2.401
  170    HA   ALA 563           HA       ALA 563  55.758  -1.370   4.318
  171    HB1  ALA 563           HB1      ALA 563  56.572   0.849   3.419
  172    HB2  ALA 563           HB2      ALA 563  56.545   0.742   5.180
  173    HB3  ALA 563           HB3      ALA 563  55.273   1.620   4.329
  174    H    MET 564           HN       MET 564  54.799   1.055   6.188
  175    HA   MET 564           HA       MET 564  52.930  -0.562   7.708
  176    HB2  MET 564           HB2      MET 564  53.687   2.365   7.933
  177    HB3  MET 564           HB1      MET 564  52.730   1.485   9.122
  178    HG2  MET 564           HG2      MET 564  54.613  -0.086   9.465
  179    HG3  MET 564           HG1      MET 564  55.574   0.822   8.297
  180    HE1  MET 564           HE1      MET 564  55.727  -0.079  11.374
  181    HE2  MET 564           HE2      MET 564  56.372   1.251  12.331
  182    HE3  MET 564           HE3      MET 564  57.223   0.727  10.880
  183    H    ALA 565           HN       ALA 565  51.708  -0.638   5.458
  184    HA   ALA 565           HA       ALA 565  49.580  -0.273   4.509
  185    HB1  ALA 565           HB1      ALA 565  49.102   0.602   7.003
  186    HB2  ALA 565           HB2      ALA 565  47.952   0.862   5.693
  187    HB3  ALA 565           HB3      ALA 565  49.050   2.156   6.169
  188    H    LYS 566           HN       LYS 566  52.146   1.877   4.802
  189    HA   LYS 566           HA       LYS 566  51.103   3.869   2.886
  190    HB2  LYS 566           HB2      LYS 566  53.451   3.613   4.682
  191    HB3  LYS 566           HB1      LYS 566  53.752   4.451   3.161
  192    HG2  LYS 566           HG2      LYS 566  51.824   5.947   3.623
  193    HG3  LYS 566           HG1      LYS 566  51.582   5.134   5.169
  194    HD2  LYS 566           HD2      LYS 566  54.256   6.337   4.457
  195    HD3  LYS 566           HD1      LYS 566  52.973   7.327   5.153
  196    HE2  LYS 566           HE2      LYS 566  53.125   6.326   7.207
  197    HE3  LYS 566           HE1      LYS 566  53.496   4.744   6.522
  198    HZ1  LYS 566           HZ1      LYS 566  55.726   5.622   5.964
  199    HZ2  LYS 566           HZ2      LYS 566  55.422   5.562   7.635
  200    HZ3  LYS 566           HZ3      LYS 566  55.349   7.044   6.808
  201    H    LYS 567           HN       LYS 567  51.563   3.800   0.713
  202    HA   LYS 567           HA       LYS 567  53.102   1.469  -0.260
  203    HB2  LYS 567           HB2      LYS 567  51.154   3.391  -1.506
  204    HB3  LYS 567           HB1      LYS 567  52.212   2.416  -2.525
  205    HG2  LYS 567           HG2      LYS 567  50.001   1.327  -2.089
  206    HG3  LYS 567           HG1      LYS 567  51.371   0.367  -1.527
  207    HD2  LYS 567           HD2      LYS 567  50.973   0.891   0.738
  208    HD3  LYS 567           HD1      LYS 567  49.985   2.297   0.330
  209    HE2  LYS 567           HE2      LYS 567  48.122   1.012  -0.204
  210    HE3  LYS 567           HE1      LYS 567  49.087  -0.415  -0.574
  211    HZ1  LYS 567           HZ1      LYS 567  49.012   0.670   2.165
  212    HZ2  LYS 567           HZ2      LYS 567  49.372  -0.909   1.650
  213    HZ3  LYS 567           HZ3      LYS 567  47.770  -0.345   1.613
  214    H    PHE 568           HN       PHE 568  54.503   1.925  -2.241
  215    HA   PHE 568           HA       PHE 568  55.766   4.589  -2.356
  216    HB2  PHE 568           HB2      PHE 568  57.188   2.139  -1.267
  217    HB3  PHE 568           HB1      PHE 568  58.053   3.525  -1.918
  218    HD1  PHE 568           HD1      PHE 568  56.026   2.243   0.858
  219    HD2  PHE 568           HD2      PHE 568  57.983   5.709  -0.761
  220    HE1  PHE 568           HE1      PHE 568  55.846   3.373   3.057
  221    HE2  PHE 568           HE2      PHE 568  57.799   6.838   1.439
  222    HZ   PHE 568           HZ       PHE 568  56.731   5.670   3.348
  223    H    HIS 569           HN       HIS 569  56.690   4.860  -4.410
  224    HA   HIS 569           HA       HIS 569  56.201   2.942  -6.465
  225    HB2  HIS 569           HB2      HIS 569  58.086   5.290  -6.231
  226    HB3  HIS 569           HB1      HIS 569  58.175   4.226  -7.630
  227    HD2  HIS 569           HD2      HIS 569  55.409   3.988  -8.906
  228    HE1  HIS 569           HE1      HIS 569  54.515   7.967  -7.811
  229    HE2  HIS 569           HE2      HIS 569  53.824   6.017  -9.294
  230    HA   PRO 570           HA       PRO 570  59.145  -0.197  -5.339
  231    HB2  PRO 570           HB2      PRO 570  59.617  -0.499  -8.244
  232    HB3  PRO 570           HB1      PRO 570  59.043  -1.683  -7.063
  233    HG2  PRO 570           HG2      PRO 570  57.427  -0.483  -8.944
  234    HG3  PRO 570           HG1      PRO 570  56.850  -1.173  -7.427
  235    HD2  PRO 570           HD2      PRO 570  57.025   1.655  -8.217
  236    HD3  PRO 570           HD1      PRO 570  56.125   0.916  -6.868
  237    H    GLU 571           HN       GLU 571  59.899   2.642  -7.039
  238    HA   GLU 571           HA       GLU 571  62.833   2.118  -6.825
  239    HB2  GLU 571           HB2      GLU 571  63.109   3.915  -8.492
  240    HB3  GLU 571           HB1      GLU 571  62.073   2.632  -9.117
  241    HG2  GLU 571           HG2      GLU 571  60.081   3.915  -8.650
  242    HG3  GLU 571           HG1      GLU 571  61.010   5.141  -7.794
  243    H    HIS 572           HN       HIS 572  60.198   3.923  -5.546
  244    HA   HIS 572           HA       HIS 572  62.015   6.019  -4.465
  245    HB2  HIS 572           HB2      HIS 572  58.988   5.783  -4.430
  246    HB3  HIS 572           HB1      HIS 572  59.890   7.092  -3.664
  247    HD2  HIS 572           HD2      HIS 572  62.089   6.976  -6.416
  248    HE1  HIS 572           HE1      HIS 572  58.740   8.719  -8.292
  249    HE2  HIS 572           HE2      HIS 572  61.235   8.287  -8.488
  250    H    PHE 573           HN       PHE 573  60.598   3.050  -3.614
  251    HA   PHE 573           HA       PHE 573  60.459   3.539  -0.735
  252    HB2  PHE 573           HB2      PHE 573  59.098   1.768  -1.887
  253    HB3  PHE 573           HB1      PHE 573  60.592   0.910  -2.246
  254    HD1  PHE 573           HD1      PHE 573  61.075  -0.856  -0.812
  255    HD2  PHE 573           HD2      PHE 573  59.058   2.599   0.748
  256    HE1  PHE 573           HE1      PHE 573  61.019  -1.903   1.434
  257    HE2  PHE 573           HE2      PHE 573  59.001   1.552   2.994
  258    HZ   PHE 573           HZ       PHE 573  59.981  -0.699   3.337
  259    H    VAL 574           HN       VAL 574  62.575   4.399  -0.368
  260    HA   VAL 574           HA       VAL 574  64.823   2.490  -0.801
  261    HB   VAL 574           HB       VAL 574  66.297   4.442  -0.481
  262   HG11  VAL 574          HG11      VAL 574  64.763   3.871  -2.677
  263   HG12  VAL 574          HG12      VAL 574  66.029   5.099  -2.647
  264   HG13  VAL 574          HG13      VAL 574  64.345   5.562  -2.400
  265   HG21  VAL 574          HG21      VAL 574  65.229   6.708  -0.345
  266   HG22  VAL 574          HG22      VAL 574  64.938   5.725   1.090
  267   HG23  VAL 574          HG23      VAL 574  63.668   5.920  -0.118
  268    H    CYS 575           HN       CYS 575  66.564   2.680   0.959
  269    HA   CYS 575           HA       CYS 575  65.356   1.958   3.507
  270    HB2  CYS 575           HB2      CYS 575  67.325   0.771   2.836
  271    HB3  CYS 575           HB1      CYS 575  68.211   2.264   2.552
  272    H    ALA 576           HN       ALA 576  65.048   3.284   5.247
  273    HA   ALA 576           HA       ALA 576  65.562   6.131   5.020
  274    HB1  ALA 576           HB1      ALA 576  64.670   4.405   7.346
  275    HB2  ALA 576           HB2      ALA 576  63.651   5.396   6.304
  276    HB3  ALA 576           HB3      ALA 576  64.778   6.163   7.421
  277    H    PHE 577           HN       PHE 577  67.972   4.627   4.741
  278    HA   PHE 577           HA       PHE 577  69.559   5.811   6.952
  279    HB2  PHE 577           HB2      PHE 577  69.023   3.234   7.222
  280    HB3  PHE 577           HB1      PHE 577  70.268   3.053   5.990
  281    HD1  PHE 577           HD1      PHE 577  69.652   4.866   9.224
  282    HD2  PHE 577           HD2      PHE 577  72.499   2.919   6.662
  283    HE1  PHE 577           HE1      PHE 577  71.406   5.158  10.951
  284    HE2  PHE 577           HE2      PHE 577  74.253   3.214   8.389
  285    HZ   PHE 577           HZ       PHE 577  73.707   4.333  10.533
  286    H    CYS 578           HN       CYS 578  69.986   3.723   4.091
  287    HA   CYS 578           HA       CYS 578  72.206   5.487   3.189
  288    HB2  CYS 578           HB2      CYS 578  72.419   3.604   1.420
  289    HB3  CYS 578           HB1      CYS 578  72.863   3.217   3.081
  290    H    LEU 579           HN       LEU 579  68.908   4.752   2.579
  291    HA   LEU 579           HA       LEU 579  67.387   5.483   0.964
  292    HB2  LEU 579           HB2      LEU 579  69.427   7.713   0.691
  293    HB3  LEU 579           HB1      LEU 579  67.760   7.771   0.121
  294    HG   LEU 579           HG       LEU 579  67.431   7.002   2.743
  295   HD11  LEU 579          HD11      LEU 579  69.913   7.416   3.057
  296   HD12  LEU 579          HD12      LEU 579  68.865   8.339   4.134
  297   HD13  LEU 579          HD13      LEU 579  69.595   9.120   2.731
  298   HD21  LEU 579          HD21      LEU 579  67.532   9.805   1.582
  299   HD22  LEU 579          HD22      LEU 579  66.751   9.375   3.104
  300   HD23  LEU 579          HD23      LEU 579  66.136   8.727   1.584
  301    H    LYS 580           HN       LYS 580  69.853   3.834   0.111
  302    HA   LYS 580           HA       LYS 580  70.421   4.667  -2.612
  303    HB2  LYS 580           HB2      LYS 580  71.491   2.455  -2.829
  304    HB3  LYS 580           HB1      LYS 580  71.979   3.235  -1.325
  305    HG2  LYS 580           HG2      LYS 580  70.004   1.939  -0.248
  306    HG3  LYS 580           HG1      LYS 580  70.036   0.958  -1.713
  307    HD2  LYS 580           HD2      LYS 580  72.728   1.212  -0.834
  308    HD3  LYS 580           HD1      LYS 580  71.757   0.804   0.581
  309    HE2  LYS 580           HE2      LYS 580  72.451  -1.262  -0.482
  310    HE3  LYS 580           HE1      LYS 580  70.718  -1.058  -0.739
  311    HZ1  LYS 580           HZ1      LYS 580  72.632  -1.433  -2.673
  312    HZ2  LYS 580           HZ2      LYS 580  72.226   0.213  -2.788
  313    HZ3  LYS 580           HZ3      LYS 580  71.018  -0.974  -2.921
  314    H    GLN 581           HN       GLN 581  68.468   2.012  -1.241
  315    HA   GLN 581           HA       GLN 581  66.250   2.345  -2.976
  316    HB2  GLN 581           HB2      GLN 581  68.416   1.210  -4.339
  317    HB3  GLN 581           HB1      GLN 581  67.427  -0.174  -3.886
  318    HG2  GLN 581           HG2      GLN 581  65.719   1.954  -4.814
  319    HG3  GLN 581           HG1      GLN 581  66.976   1.650  -6.013
  320   HE21  GLN 581          HE21      GLN 581  64.213   0.223  -4.344
  321   HE22  GLN 581          HE22      GLN 581  64.096  -1.151  -5.331
  322    H    LEU 582           HN       LEU 582  64.701   0.488  -2.655
  323    HA   LEU 582           HA       LEU 582  65.469  -1.553  -0.715
  324    HB2  LEU 582           HB2      LEU 582  64.961   0.766   0.476
  325    HB3  LEU 582           HB1      LEU 582  63.291   0.249   0.268
  326    HG   LEU 582           HG       LEU 582  63.959  -1.953   1.318
  327   HD11  LEU 582          HD11      LEU 582  66.177  -2.299   1.536
  328   HD12  LEU 582          HD12      LEU 582  66.126  -1.151   2.872
  329   HD13  LEU 582          HD13      LEU 582  66.538  -0.598   1.252
  330   HD21  LEU 582          HD21      LEU 582  64.312  -0.699   3.656
  331   HD22  LEU 582          HD22      LEU 582  62.764  -0.661   2.812
  332   HD23  LEU 582          HD23      LEU 582  63.875   0.701   2.678
  333    H    ASN 583           HN       ASN 583  63.690  -3.032  -0.237
  334    HA   ASN 583           HA       ASN 583  61.230  -2.774  -1.838
  335    HB2  ASN 583           HB2      ASN 583  61.605  -5.012  -2.897
  336    HB3  ASN 583           HB1      ASN 583  62.747  -3.792  -3.454
  337   HD21  ASN 583          HD21      ASN 583  62.446  -6.823  -1.734
  338   HD22  ASN 583          HD22      ASN 583  64.101  -7.040  -1.424
  339    H    LYS 584           HN       LYS 584  59.571  -3.656  -0.685
  340    HA   LYS 584           HA       LYS 584  59.820  -4.619   1.943
  341    HB2  LYS 584           HB2      LYS 584  57.656  -3.944   1.303
  342    HB3  LYS 584           HB1      LYS 584  57.693  -4.908  -0.170
  343    HG2  LYS 584           HG2      LYS 584  56.204  -5.979   1.425
  344    HG3  LYS 584           HG1      LYS 584  57.640  -6.980   1.235
  345    HD2  LYS 584           HD2      LYS 584  57.288  -6.889   3.578
  346    HD3  LYS 584           HD1      LYS 584  58.574  -5.722   3.282
  347    HE2  LYS 584           HE2      LYS 584  56.938  -4.706   4.766
  348    HE3  LYS 584           HE1      LYS 584  56.836  -3.912   3.196
  349    HZ1  LYS 584           HZ1      LYS 584  54.865  -5.433   4.581
  350    HZ2  LYS 584           HZ2      LYS 584  55.129  -6.047   3.019
  351    HZ3  LYS 584           HZ3      LYS 584  54.690  -4.418   3.232
  352    H    GLY 585           HN       GLY 585  60.206  -6.299  -1.079
  353    HA2  GLY 585           HA2      GLY 585  59.797  -8.976  -0.327
  354    HA3  GLY 585           HA1      GLY 585  60.946  -8.463  -1.555
  355    H    THR 586           HN       THR 586  62.593  -6.895   0.351
  356    HA   THR 586           HA       THR 586  63.548  -8.974   2.240
  357    HB   THR 586           HB       THR 586  65.865  -8.835   1.359
  358    HG1  THR 586           HG1      THR 586  66.003  -7.913  -0.805
  359   HG21  THR 586          HG21      THR 586  64.264 -10.616   0.598
  360   HG22  THR 586          HG22      THR 586  65.515 -10.238  -0.586
  361   HG23  THR 586          HG23      THR 586  63.881  -9.610  -0.799
  362    H    PHE 587           HN       PHE 587  62.407  -6.260   2.597
  363    HA   PHE 587           HA       PHE 587  64.802  -4.777   3.568
  364    HB2  PHE 587           HB2      PHE 587  63.624  -2.839   3.325
  365    HB3  PHE 587           HB1      PHE 587  62.630  -3.796   2.245
  366    HD1  PHE 587           HD1      PHE 587  62.367  -1.478   4.729
  367    HD2  PHE 587           HD2      PHE 587  60.920  -5.415   3.798
  368    HE1  PHE 587           HE1      PHE 587  60.420  -1.116   6.218
  369    HE2  PHE 587           HE2      PHE 587  58.976  -5.050   5.291
  370    HZ   PHE 587           HZ       PHE 587  58.724  -2.901   6.500
  371    H    LYS 588           HN       LYS 588  64.174  -3.500   5.664
  372    HA   LYS 588           HA       LYS 588  62.717  -5.184   7.618
  373    HB2  LYS 588           HB2      LYS 588  65.637  -4.420   7.728
  374    HB3  LYS 588           HB1      LYS 588  64.726  -4.676   9.212
  375    HG2  LYS 588           HG2      LYS 588  64.831  -6.721   6.978
  376    HG3  LYS 588           HG1      LYS 588  65.970  -6.710   8.323
  377    HD2  LYS 588           HD2      LYS 588  64.476  -7.874   9.535
  378    HD3  LYS 588           HD1      LYS 588  63.419  -6.463   9.503
  379    HE2  LYS 588           HE2      LYS 588  62.327  -7.235   7.500
  380    HE3  LYS 588           HE1      LYS 588  63.504  -8.530   7.290
  381    HZ1  LYS 588           HZ1      LYS 588  62.672  -9.686   9.106
  382    HZ2  LYS 588           HZ2      LYS 588  61.270  -9.104   8.343
  383    HZ3  LYS 588           HZ3      LYS 588  61.864  -8.335   9.737
  384    H    GLU 589           HN       GLU 589  62.471  -3.803   9.720
  385    HA   GLU 589           HA       GLU 589  62.654  -0.904   9.101
  386    HB2  GLU 589           HB2      GLU 589  60.402  -0.462   9.445
  387    HB3  GLU 589           HB1      GLU 589  60.313  -2.030   8.644
  388    HG2  GLU 589           HG2      GLU 589  60.464  -2.969  11.101
  389    HG3  GLU 589           HG1      GLU 589  59.905  -1.355  11.544
  390    H    GLN 590           HN       GLN 590  62.743   0.437  10.914
  391    HA   GLN 590           HA       GLN 590  62.682  -0.705  13.617
  392    HB2  GLN 590           HB2      GLN 590  65.022  -1.121  12.634
  393    HB3  GLN 590           HB1      GLN 590  65.219   0.628  12.642
  394    HG2  GLN 590           HG2      GLN 590  66.149  -0.123  14.700
  395    HG3  GLN 590           HG1      GLN 590  64.578   0.558  15.115
  396   HE21  GLN 590          HE21      GLN 590  65.173  -2.627  13.589
  397   HE22  GLN 590          HE22      GLN 590  64.531  -3.537  14.870
  398    H    ASN 591           HN       ASN 591  62.489   0.997  15.184
  399    HA   ASN 591           HA       ASN 591  61.767   3.112  15.892
  400    HB2  ASN 591           HB2      ASN 591  63.820   3.795  13.783
  401    HB3  ASN 591           HB1      ASN 591  62.997   5.039  14.718
  402   HD21  ASN 591          HD21      ASN 591  65.751   3.132  14.710
  403   HD22  ASN 591          HD22      ASN 591  66.106   3.166  16.370
  404    H    ASP 592           HN       ASP 592  60.456   1.745  13.421
  405    HA   ASP 592           HA       ASP 592  58.472   2.264  12.256
  406    HB2  ASP 592           HB2      ASP 592  58.384   4.145  14.158
  407    HB3  ASP 592           HB1      ASP 592  58.709   5.193  12.776
  408    H    LYS 593           HN       LYS 593  61.192   2.353  11.106
  409    HA   LYS 593           HA       LYS 593  60.464   3.847   8.660
  410    HB2  LYS 593           HB2      LYS 593  63.200   4.371   8.866
  411    HB3  LYS 593           HB1      LYS 593  61.895   5.533   9.083
  412    HG2  LYS 593           HG2      LYS 593  61.818   4.793  11.528
  413    HG3  LYS 593           HG1      LYS 593  63.331   3.947  11.215
  414    HD2  LYS 593           HD2      LYS 593  63.989   6.066  12.054
  415    HD3  LYS 593           HD1      LYS 593  64.211   6.181  10.309
  416    HE2  LYS 593           HE2      LYS 593  61.506   6.920  11.215
  417    HE3  LYS 593           HE1      LYS 593  62.779   7.977  11.825
  418    HZ1  LYS 593           HZ1      LYS 593  61.676   8.319   9.462
  419    HZ2  LYS 593           HZ2      LYS 593  62.900   7.232   9.006
  420    HZ3  LYS 593           HZ3      LYS 593  63.301   8.700   9.761
  421    HA   PRO 594           HA       PRO 594  62.079   0.230   6.736
  422    HB2  PRO 594           HB2      PRO 594  63.034   1.315   4.399
  423    HB3  PRO 594           HB1      PRO 594  61.327   1.013   4.737
  424    HG2  PRO 594           HG2      PRO 594  62.838   3.579   4.788
  425    HG3  PRO 594           HG1      PRO 594  61.159   3.273   4.336
  426    HD2  PRO 594           HD2      PRO 594  61.940   4.368   6.764
  427    HD3  PRO 594           HD1      PRO 594  60.406   3.497   6.511
  428    H    TYR 595           HN       TYR 595  63.964  -0.877   6.177
  429    HA   TYR 595           HA       TYR 595  66.580   0.415   6.076
  430    HB2  TYR 595           HB2      TYR 595  65.746  -1.267   8.466
  431    HB3  TYR 595           HB1      TYR 595  67.428  -0.962   8.048
  432    HD1  TYR 595           HD1      TYR 595  67.971   1.623   7.574
  433    HD2  TYR 595           HD2      TYR 595  64.736   0.169   9.991
  434    HE1  TYR 595           HE1      TYR 595  67.864   3.806   8.749
  435    HE2  TYR 595           HE2      TYR 595  64.634   2.349  11.162
  436    HH   TYR 595           HH       TYR 595  66.374   5.122  10.042
  437    H    CYS 596           HN       CYS 596  67.673  -0.858   4.581
  438    HA   CYS 596           HA       CYS 596  66.642  -3.255   3.516
  439    HB2  CYS 596           HB2      CYS 596  69.609  -3.054   3.641
  440    HB3  CYS 596           HB1      CYS 596  68.565  -3.371   2.259
  441    H    GLN 597           HN       GLN 597  66.969  -5.438   4.024
  442    HA   GLN 597           HA       GLN 597  67.194  -6.209   6.709
  443    HB2  GLN 597           HB2      GLN 597  66.460  -8.015   5.515
  444    HB3  GLN 597           HB1      GLN 597  67.352  -7.524   4.081
  445    HG2  GLN 597           HG2      GLN 597  68.217  -9.659   4.924
  446    HG3  GLN 597           HG1      GLN 597  69.440  -8.404   5.083
  447   HE21  GLN 597          HE21      GLN 597  66.873  -8.074   7.370
  448   HE22  GLN 597          HE22      GLN 597  67.676  -8.753   8.701
  449    H    ASN 598           HN       ASN 598  69.701  -5.757   4.277
  450    HA   ASN 598           HA       ASN 598  71.911  -6.704   5.859
  451    HB2  ASN 598           HB2      ASN 598  72.002  -6.377   3.386
  452    HB3  ASN 598           HB1      ASN 598  71.889  -4.636   3.636
  453   HD21  ASN 598          HD21      ASN 598  73.665  -3.838   5.350
  454   HD22  ASN 598          HD22      ASN 598  75.222  -4.466   5.105
  455    H    CYS 599           HN       CYS 599  70.323  -3.567   5.455
  456    HA   CYS 599           HA       CYS 599  72.177  -2.094   7.129
  457    HB2  CYS 599           HB2      CYS 599  69.423  -1.595   6.025
  458    HB3  CYS 599           HB1      CYS 599  70.010  -0.573   7.332
  459    H    PHE 600           HN       PHE 600  68.813  -3.210   7.709
  460    HA   PHE 600           HA       PHE 600  68.649  -2.768  10.478
  461    HB2  PHE 600           HB2      PHE 600  66.708  -3.558   9.322
  462    HB3  PHE 600           HB1      PHE 600  67.554  -4.974   8.713
  463    HD1  PHE 600           HD1      PHE 600  68.141  -6.849  10.248
  464    HD2  PHE 600           HD2      PHE 600  65.746  -3.520  11.534
  465    HE1  PHE 600           HE1      PHE 600  67.379  -8.156  12.211
  466    HE2  PHE 600           HE2      PHE 600  64.987  -4.831  13.498
  467    HZ   PHE 600           HZ       PHE 600  65.802  -7.146  13.836
  468    H    LEU 601           HN       LEU 601  69.977  -5.556   8.746
  469    HA   LEU 601           HA       LEU 601  70.802  -7.109  10.982
  470    HB2  LEU 601           HB2      LEU 601  70.777  -7.982   8.698
  471    HB3  LEU 601           HB1      LEU 601  71.985  -6.804   8.204
  472    HG   LEU 601           HG       LEU 601  73.497  -7.857  10.007
  473   HD11  LEU 601          HD11      LEU 601  71.367 -10.001   9.726
  474   HD12  LEU 601          HD12      LEU 601  71.754  -9.104  11.194
  475   HD13  LEU 601          HD13      LEU 601  72.928 -10.230  10.515
  476   HD21  LEU 601          HD21      LEU 601  74.155  -8.295   7.817
  477   HD22  LEU 601          HD22      LEU 601  72.630  -9.080   7.406
  478   HD23  LEU 601          HD23      LEU 601  73.821  -9.928   8.395
  479    H    LYS 602           HN       LYS 602  72.088  -4.264   9.465
  480    HA   LYS 602           HA       LYS 602  74.658  -4.355  10.898
  481    HB2  LYS 602           HB2      LYS 602  73.858  -3.279   8.501
  482    HB3  LYS 602           HB1      LYS 602  73.834  -1.864   9.543
  483    HG2  LYS 602           HG2      LYS 602  76.036  -1.982   8.641
  484    HG3  LYS 602           HG1      LYS 602  76.161  -2.534  10.311
  485    HD2  LYS 602           HD2      LYS 602  77.410  -4.116   9.033
  486    HD3  LYS 602           HD1      LYS 602  75.878  -4.911   9.392
  487    HE2  LYS 602           HE2      LYS 602  75.054  -4.574   7.205
  488    HE3  LYS 602           HE1      LYS 602  76.255  -3.334   6.848
  489    HZ1  LYS 602           HZ1      LYS 602  76.728  -5.520   5.821
  490    HZ2  LYS 602           HZ2      LYS 602  76.909  -6.180   7.376
  491    HZ3  LYS 602           HZ3      LYS 602  77.970  -4.969   6.835
  492    H    LEU 603           HN       LEU 603  71.604  -2.539  10.983
  493    HA   LEU 603           HA       LEU 603  72.548  -0.810  13.153
  494    HB2  LEU 603           HB2      LEU 603  69.655  -1.067  12.388
  495    HB3  LEU 603           HB1      LEU 603  70.540   0.356  12.916
  496    HG   LEU 603           HG       LEU 603  70.754  -1.009  10.227
  497   HD11  LEU 603          HD11      LEU 603  69.813   1.752  11.039
  498   HD12  LEU 603          HD12      LEU 603  68.772   0.422  10.532
  499   HD13  LEU 603          HD13      LEU 603  69.903   1.143   9.387
  500   HD21  LEU 603          HD21      LEU 603  72.282   0.948   9.702
  501   HD22  LEU 603          HD22      LEU 603  72.969  -0.250  10.798
  502   HD23  LEU 603          HD23      LEU 603  72.341   1.271  11.435
  503    H    PHE 604           HN       PHE 604  69.921  -3.205  12.835
  504    HA   PHE 604           HA       PHE 604  69.470  -3.333  15.687
  505    HB2  PHE 604           HB2      PHE 604  67.873  -3.935  13.710
  506    HB3  PHE 604           HB1      PHE 604  68.660  -5.511  13.778
  507    HD1  PHE 604           HD1      PHE 604  66.910  -2.986  15.913
  508    HD2  PHE 604           HD2      PHE 604  68.008  -7.106  15.389
  509    HE1  PHE 604           HE1      PHE 604  65.495  -3.609  17.850
  510    HE2  PHE 604           HE2      PHE 604  66.593  -7.729  17.327
  511    HZ   PHE 604           HZ       PHE 604  65.336  -5.981  18.558
  512    H    CYS 605           HN       CYS 605  71.701  -4.880  13.539
  513    HA   CYS 605           HA       CYS 605  72.713  -6.481  15.832
  514    HB2  CYS 605           HB2      CYS 605  71.131  -7.801  14.191
  515    HB3  CYS 605           HB1      CYS 605  72.544  -7.804  13.138
  516    HG   CYS 605           HG       CYS 605  73.811  -8.830  15.387
  Start of MODEL   17
    1    H    TYR 541           HT1      TYR 541  35.218  -2.371 -16.102
    2    HA   TYR 541           HA       TYR 541  37.440  -1.447 -17.177
    3    HB2  TYR 541           HB2      TYR 541  35.324   0.671 -17.674
    4    HB3  TYR 541           HB1      TYR 541  37.064   0.910 -17.830
    5    HD1  TYR 541           HD1      TYR 541  38.352  -0.396 -19.555
    6    HD2  TYR 541           HD2      TYR 541  34.058  -0.409 -19.395
    7    HE1  TYR 541           HE1      TYR 541  38.268  -1.278 -21.871
    8    HE2  TYR 541           HE2      TYR 541  33.976  -1.290 -21.711
    9    HH   TYR 541           HH       TYR 541  36.167  -1.090 -23.831
   10    H    HIS 542           HN       HIS 542  34.651   0.065 -15.531
   11    HA   HIS 542           HA       HIS 542  34.499   1.125 -13.454
   12    HB2  HIS 542           HB2      HIS 542  36.564  -0.546 -12.188
   13    HB3  HIS 542           HB1      HIS 542  34.855  -0.374 -11.802
   14    HD1  HIS 542           HD1      HIS 542  37.249  -2.584 -13.515
   15    HD2  HIS 542           HD2      HIS 542  33.116  -2.042 -13.485
   16    HE1  HIS 542           HE1      HIS 542  36.249  -4.644 -14.596
   17    H    GLU 543           HN       GLU 543  36.560   1.382 -11.443
   18    HA   GLU 543           HA       GLU 543  38.080   3.588 -12.679
   19    HB2  GLU 543           HB2      GLU 543  37.746   2.642  -9.821
   20    HB3  GLU 543           HB1      GLU 543  38.819   3.966 -10.275
   21    HG2  GLU 543           HG2      GLU 543  36.675   4.880 -11.515
   22    HG3  GLU 543           HG1      GLU 543  35.821   3.837 -10.378
   23    H    ARG 544           HN       ARG 544  39.286   1.467 -10.120
   24    HA   ARG 544           HA       ARG 544  41.284   0.266  -9.935
   25    HB2  ARG 544           HB2      ARG 544  40.105  -0.807 -12.040
   26    HB3  ARG 544           HB1      ARG 544  41.408  -0.015 -12.924
   27    HG2  ARG 544           HG2      ARG 544  42.063  -1.635 -10.480
   28    HG3  ARG 544           HG1      ARG 544  41.745  -2.462 -12.004
   29    HD2  ARG 544           HD2      ARG 544  43.442  -0.442 -12.790
   30    HD3  ARG 544           HD1      ARG 544  44.073  -0.841 -11.196
   31    HE   ARG 544           HE       ARG 544  44.565  -2.352 -13.507
   32   HH11  ARG 544          HH11      ARG 544  44.997  -4.550 -13.528
   33   HH12  ARG 544          HH12      ARG 544  44.541  -5.529 -12.174
   34   HH21  ARG 544          HH21      ARG 544  43.196  -2.901 -10.375
   35   HH22  ARG 544          HH22      ARG 544  43.522  -4.599 -10.399
   36    H    ARG 545           HN       ARG 545  42.534   2.078  -9.277
   37    HA   ARG 545           HA       ARG 545  43.866   3.714 -11.343
   38    HB2  ARG 545           HB2      ARG 545  44.417   3.823  -8.381
   39    HB3  ARG 545           HB1      ARG 545  44.592   5.104  -9.579
   40    HG2  ARG 545           HG2      ARG 545  42.057   4.896  -9.923
   41    HG3  ARG 545           HG1      ARG 545  42.048   3.960  -8.428
   42    HD2  ARG 545           HD2      ARG 545  43.421   5.949  -7.460
   43    HD3  ARG 545           HD1      ARG 545  42.808   6.843  -8.844
   44    HE   ARG 545           HE       ARG 545  41.372   6.343  -6.449
   45   HH11  ARG 545          HH11      ARG 545  39.141   6.280  -6.301
   46   HH12  ARG 545          HH12      ARG 545  38.189   6.108  -7.738
   47   HH21  ARG 545          HH21      ARG 545  40.914   6.015  -9.862
   48   HH22  ARG 545          HH22      ARG 545  39.190   5.956  -9.744
   49    H    GLY 546           HN       GLY 546  44.713   1.359  -8.824
   50    HA2  GLY 546           HA2      GLY 546  46.504  -0.289  -9.658
   51    HA3  GLY 546           HA1      GLY 546  47.439   1.162 -10.026
   52    H    SER 547           HN       SER 547  48.453   2.270  -8.351
   53    HA   SER 547           HA       SER 547  47.883   1.796  -5.556
   54    HB2  SER 547           HB2      SER 547  49.805   0.040  -6.902
   55    HB3  SER 547           HB1      SER 547  50.511   0.891  -5.532
   56    HG   SER 547           HG       SER 547  48.034  -0.499  -5.467
   57    H    LEU 548           HN       LEU 548  48.295   3.810  -4.793
   58    HA   LEU 548           HA       LEU 548  50.082   5.636  -6.152
   59    HB2  LEU 548           HB2      LEU 548  48.413   5.730  -3.668
   60    HB3  LEU 548           HB1      LEU 548  49.672   6.940  -3.881
   61    HG   LEU 548           HG       LEU 548  48.723   7.626  -6.015
   62   HD11  LEU 548          HD11      LEU 548  46.857   5.299  -5.537
   63   HD12  LEU 548          HD12      LEU 548  47.883   5.605  -6.938
   64   HD13  LEU 548          HD13      LEU 548  46.459   6.604  -6.654
   65   HD21  LEU 548          HD21      LEU 548  47.784   8.578  -3.896
   66   HD22  LEU 548          HD22      LEU 548  46.514   7.356  -3.953
   67   HD23  LEU 548          HD23      LEU 548  46.623   8.575  -5.223
   68    H    CYS 549           HN       CYS 549  52.176   6.161  -5.654
   69    HA   CYS 549           HA       CYS 549  53.658   4.374  -3.882
   70    HB2  CYS 549           HB2      CYS 549  55.047   4.935  -5.627
   71    HB3  CYS 549           HB1      CYS 549  54.306   6.515  -5.849
   72    H    SER 550           HN       SER 550  53.435   4.745  -1.726
   73    HA   SER 550           HA       SER 550  52.542   7.109  -0.517
   74    HB2  SER 550           HB2      SER 550  54.528   5.111   0.601
   75    HB3  SER 550           HB1      SER 550  53.656   6.305   1.554
   76    HG   SER 550           HG       SER 550  52.726   4.014   0.220
   77    H    GLY 551           HN       GLY 551  53.385   9.054  -0.777
   78    HA2  GLY 551           HA2      GLY 551  55.353  10.522  -0.104
   79    HA3  GLY 551           HA1      GLY 551  56.356   9.363  -0.992
   80    H    CYS 552           HN       CYS 552  54.351   8.904  -3.048
   81    HA   CYS 552           HA       CYS 552  54.696  11.427  -4.615
   82    HB2  CYS 552           HB2      CYS 552  54.589   8.516  -5.301
   83    HB3  CYS 552           HB1      CYS 552  53.974   9.667  -6.487
   84    H    GLN 553           HN       GLN 553  52.384   9.093  -3.397
   85    HA   GLN 553           HA       GLN 553  50.049   9.073  -3.384
   86    HB2  GLN 553           HB2      GLN 553  50.690  12.011  -3.628
   87    HB3  GLN 553           HB1      GLN 553  49.017  11.456  -3.659
   88    HG2  GLN 553           HG2      GLN 553  49.938  12.084  -1.359
   89    HG3  GLN 553           HG1      GLN 553  49.193  10.496  -1.480
   90   HE21  GLN 553          HE21      GLN 553  52.174  12.175  -0.856
   91   HE22  GLN 553          HE22      GLN 553  53.131  10.804  -0.575
   92    H    LYS 554           HN       LYS 554  51.546   8.631  -5.845
   93    HA   LYS 554           HA       LYS 554  49.360   9.181  -7.797
   94    HB2  LYS 554           HB2      LYS 554  52.349   9.483  -8.251
   95    HB3  LYS 554           HB1      LYS 554  51.163   9.438  -9.555
   96    HG2  LYS 554           HG2      LYS 554  51.089  11.432  -7.273
   97    HG3  LYS 554           HG1      LYS 554  51.802  11.766  -8.850
   98    HD2  LYS 554           HD2      LYS 554  49.481  10.967  -9.774
   99    HD3  LYS 554           HD1      LYS 554  48.917  11.310  -8.138
  100    HE2  LYS 554           HE2      LYS 554  48.588  13.310  -9.447
  101    HE3  LYS 554           HE1      LYS 554  49.942  13.609  -8.357
  102    HZ1  LYS 554           HZ1      LYS 554  50.606  12.458 -10.942
  103    HZ2  LYS 554           HZ2      LYS 554  51.412  13.653 -10.043
  104    HZ3  LYS 554           HZ3      LYS 554  50.047  14.060 -10.969
  105    HA   PRO 555           HA       PRO 555  49.348   4.795  -8.304
  106    HB2  PRO 555           HB2      PRO 555  49.329   5.245 -11.214
  107    HB3  PRO 555           HB1      PRO 555  48.147   4.424 -10.189
  108    HG2  PRO 555           HG2      PRO 555  47.837   6.960 -11.295
  109    HG3  PRO 555           HG1      PRO 555  46.899   6.315  -9.946
  110    HD2  PRO 555           HD2      PRO 555  48.882   8.451  -9.913
  111    HD3  PRO 555           HD1      PRO 555  47.827   7.899  -8.588
  112    H    ILE 556           HN       ILE 556  50.695   3.093  -8.922
  113    HA   ILE 556           HA       ILE 556  53.418   3.906  -9.819
  114    HB   ILE 556           HB       ILE 556  52.403   1.550  -8.206
  115   HG12  ILE 556          HG12      ILE 556  54.462   3.583  -7.358
  116   HG13  ILE 556          HG11      ILE 556  52.748   3.971  -7.244
  117   HG21  ILE 556          HG21      ILE 556  54.943   1.129  -7.958
  118   HG22  ILE 556          HG22      ILE 556  55.123   2.150  -9.384
  119   HG23  ILE 556          HG23      ILE 556  54.195   0.655  -9.483
  120   HD11  ILE 556          HD11      ILE 556  52.922   2.986  -5.195
  121   HD12  ILE 556          HD12      ILE 556  54.363   2.075  -5.644
  122   HD13  ILE 556          HD13      ILE 556  52.767   1.491  -6.117
  123    H    THR 557           HN       THR 557  53.162   3.757 -12.066
  124    HA   THR 557           HA       THR 557  51.865   1.440 -13.287
  125    HB   THR 557           HB       THR 557  52.706   2.501 -15.427
  126    HG1  THR 557           HG1      THR 557  54.496   3.567 -14.703
  127   HG21  THR 557          HG21      THR 557  51.313   4.639 -15.052
  128   HG22  THR 557          HG22      THR 557  51.077   4.047 -13.407
  129   HG23  THR 557          HG23      THR 557  50.506   3.094 -14.777
  130    H    GLY 558           HN       GLY 558  53.077  -0.353 -12.612
  131    HA2  GLY 558           HA2      GLY 558  54.841  -1.710 -13.978
  132    HA3  GLY 558           HA1      GLY 558  55.948  -0.458 -13.403
  133    H    ARG 559           HN       ARG 559  57.148  -2.051 -12.159
  134    HA   ARG 559           HA       ARG 559  55.979  -3.788 -10.226
  135    HB2  ARG 559           HB2      ARG 559  58.687  -2.567 -10.627
  136    HB3  ARG 559           HB1      ARG 559  58.339  -3.326  -9.074
  137    HG2  ARG 559           HG2      ARG 559  57.560  -4.846 -11.516
  138    HG3  ARG 559           HG1      ARG 559  59.285  -4.720 -11.173
  139    HD2  ARG 559           HD2      ARG 559  58.770  -6.610  -9.935
  140    HD3  ARG 559           HD1      ARG 559  58.495  -5.367  -8.716
  141    HE   ARG 559           HE       ARG 559  56.035  -5.638  -9.983
  142   HH11  ARG 559          HH11      ARG 559  54.452  -7.073  -9.272
  143   HH12  ARG 559          HH12      ARG 559  54.910  -8.464  -8.348
  144   HH21  ARG 559          HH21      ARG 559  58.293  -7.724  -8.409
  145   HH22  ARG 559          HH22      ARG 559  57.081  -8.832  -7.861
  146    H    CYS 560           HN       CYS 560  55.944  -3.468  -7.849
  147    HA   CYS 560           HA       CYS 560  56.050  -0.685  -6.896
  148    HB2  CYS 560           HB2      CYS 560  53.738  -0.569  -6.216
  149    HB3  CYS 560           HB1      CYS 560  53.769  -0.979  -7.930
  150    HG   CYS 560           HG       CYS 560  53.694  -3.524  -6.343
  151    H    ILE 561           HN       ILE 561  56.531  -0.604  -4.764
  152    HA   ILE 561           HA       ILE 561  56.917  -3.173  -3.356
  153    HB   ILE 561           HB       ILE 561  57.515  -0.474  -2.164
  154   HG12  ILE 561          HG12      ILE 561  58.381  -0.439  -4.507
  155   HG13  ILE 561          HG11      ILE 561  59.678  -0.440  -3.320
  156   HG21  ILE 561          HG21      ILE 561  58.470  -3.300  -1.893
  157   HG22  ILE 561          HG22      ILE 561  58.048  -2.134  -0.638
  158   HG23  ILE 561          HG23      ILE 561  59.580  -1.990  -1.500
  159   HD11  ILE 561          HD11      ILE 561  58.651  -2.877  -4.804
  160   HD12  ILE 561          HD12      ILE 561  59.949  -2.878  -3.610
  161   HD13  ILE 561          HD13      ILE 561  60.159  -2.029  -5.140
  162    H    THR 562           HN       THR 562  55.996  -3.557  -1.253
  163    HA   THR 562           HA       THR 562  53.675  -1.810  -0.554
  164    HB   THR 562           HB       THR 562  53.714  -4.844  -0.548
  165    HG1  THR 562           HG1      THR 562  53.459  -3.740  -2.598
  166   HG21  THR 562          HG21      THR 562  52.333  -4.267   1.253
  167   HG22  THR 562          HG22      THR 562  51.188  -4.351  -0.086
  168   HG23  THR 562          HG23      THR 562  51.775  -2.785   0.476
  169    H    ALA 563           HN       ALA 563  54.420  -0.901   1.303
  170    HA   ALA 563           HA       ALA 563  55.976  -2.518   3.223
  171    HB1  ALA 563           HB1      ALA 563  56.582  -0.136   2.656
  172    HB2  ALA 563           HB2      ALA 563  56.361  -0.429   4.381
  173    HB3  ALA 563           HB3      ALA 563  55.092   0.371   3.451
  174    H    MET 564           HN       MET 564  54.503  -0.452   5.191
  175    HA   MET 564           HA       MET 564  52.716  -2.454   6.304
  176    HB2  MET 564           HB2      MET 564  53.080   0.489   6.927
  177    HB3  MET 564           HB1      MET 564  52.103  -0.618   7.888
  178    HG2  MET 564           HG2      MET 564  54.120  -2.031   8.262
  179    HG3  MET 564           HG1      MET 564  55.084  -0.849   7.376
  180    HE1  MET 564           HE1      MET 564  56.432  -1.116  10.087
  181    HE2  MET 564           HE2      MET 564  55.037  -2.175  10.283
  182    HE3  MET 564           HE3      MET 564  55.368  -0.934  11.488
  183    H    ALA 565           HN       ALA 565  51.759  -2.402   3.933
  184    HA   ALA 565           HA       ALA 565  49.705  -2.187   2.792
  185    HB1  ALA 565           HB1      ALA 565  47.836  -1.367   3.877
  186    HB2  ALA 565           HB2      ALA 565  48.716  -0.023   4.605
  187    HB3  ALA 565           HB3      ALA 565  48.865  -1.645   5.282
  188    H    LYS 566           HN       LYS 566  51.925   0.221   3.592
  189    HA   LYS 566           HA       LYS 566  50.840   2.246   1.733
  190    HB2  LYS 566           HB2      LYS 566  52.950   2.126   3.805
  191    HB3  LYS 566           HB1      LYS 566  53.347   3.116   2.401
  192    HG2  LYS 566           HG2      LYS 566  51.163   4.304   2.673
  193    HG3  LYS 566           HG1      LYS 566  50.881   3.377   4.147
  194    HD2  LYS 566           HD2      LYS 566  53.325   5.114   3.703
  195    HD3  LYS 566           HD1      LYS 566  51.874   5.663   4.540
  196    HE2  LYS 566           HE2      LYS 566  52.881   4.849   6.407
  197    HE3  LYS 566           HE1      LYS 566  52.376   3.271   5.802
  198    HZ1  LYS 566           HZ1      LYS 566  54.994   4.604   5.395
  199    HZ2  LYS 566           HZ2      LYS 566  54.513   3.209   4.553
  200    HZ3  LYS 566           HZ3      LYS 566  54.689   3.166   6.242
  201    H    LYS 567           HN       LYS 567  51.553   2.452  -0.364
  202    HA   LYS 567           HA       LYS 567  53.511   0.446  -1.312
  203    HB2  LYS 567           HB2      LYS 567  51.439   2.175  -2.637
  204    HB3  LYS 567           HB1      LYS 567  52.737   1.460  -3.593
  205    HG2  LYS 567           HG2      LYS 567  50.703   0.019  -3.521
  206    HG3  LYS 567           HG1      LYS 567  52.119  -0.775  -2.830
  207    HD2  LYS 567           HD2      LYS 567  51.356  -0.495  -0.619
  208    HD3  LYS 567           HD1      LYS 567  50.232   0.788  -1.074
  209    HE2  LYS 567           HE2      LYS 567  48.668  -0.700  -1.947
  210    HE3  LYS 567           HE1      LYS 567  49.875  -1.949  -2.245
  211    HZ1  LYS 567           HZ1      LYS 567  49.884  -2.596  -0.060
  212    HZ2  LYS 567           HZ2      LYS 567  48.253  -2.160  -0.249
  213    HZ3  LYS 567           HZ3      LYS 567  49.336  -1.096   0.514
  214    H    PHE 568           HN       PHE 568  55.013   1.270  -3.096
  215    HA   PHE 568           HA       PHE 568  55.883   4.079  -2.865
  216    HB2  PHE 568           HB2      PHE 568  57.546   1.751  -1.849
  217    HB3  PHE 568           HB1      PHE 568  58.249   3.304  -2.284
  218    HD1  PHE 568           HD1      PHE 568  57.768   5.323  -0.948
  219    HD2  PHE 568           HD2      PHE 568  56.182   1.481   0.142
  220    HE1  PHE 568           HE1      PHE 568  57.229   6.185   1.314
  221    HE2  PHE 568           HE2      PHE 568  55.640   2.346   2.401
  222    HZ   PHE 568           HZ       PHE 568  56.165   4.697   2.988
  223    H    HIS 569           HN       HIS 569  56.899   4.663  -4.806
  224    HA   HIS 569           HA       HIS 569  56.886   2.883  -7.034
  225    HB2  HIS 569           HB2      HIS 569  58.353   5.457  -6.451
  226    HB3  HIS 569           HB1      HIS 569  58.730   4.543  -7.906
  227    HD2  HIS 569           HD2      HIS 569  56.132   3.977  -9.435
  228    HE1  HIS 569           HE1      HIS 569  54.573   7.705  -8.206
  229    HE2  HIS 569           HE2      HIS 569  54.300   5.781  -9.850
  230    HA   PRO 570           HA       PRO 570  60.180   0.126  -5.873
  231    HB2  PRO 570           HB2      PRO 570  60.923   0.167  -8.739
  232    HB3  PRO 570           HB1      PRO 570  60.464  -1.196  -7.711
  233    HG2  PRO 570           HG2      PRO 570  58.818  -0.106  -9.626
  234    HG3  PRO 570           HG1      PRO 570  58.247  -0.996  -8.214
  235    HD2  PRO 570           HD2      PRO 570  58.040   1.884  -8.791
  236    HD3  PRO 570           HD1      PRO 570  57.158   0.910  -7.588
  237    H    GLU 571           HN       GLU 571  60.624   3.175  -7.319
  238    HA   GLU 571           HA       GLU 571  63.573   3.085  -6.849
  239    HB2  GLU 571           HB2      GLU 571  63.690   5.058  -8.332
  240    HB3  GLU 571           HB1      GLU 571  62.941   3.689  -9.154
  241    HG2  GLU 571           HG2      GLU 571  60.725   4.590  -8.768
  242    HG3  GLU 571           HG1      GLU 571  61.377   5.881  -7.764
  243    H    HIS 572           HN       HIS 572  60.586   4.362  -5.708
  244    HA   HIS 572           HA       HIS 572  61.962   6.579  -4.273
  245    HB2  HIS 572           HB2      HIS 572  59.012   5.928  -4.580
  246    HB3  HIS 572           HB1      HIS 572  59.641   7.275  -3.631
  247    HD2  HIS 572           HD2      HIS 572  62.076   7.709  -6.140
  248    HE1  HIS 572           HE1      HIS 572  58.693   9.130  -8.217
  249    HE2  HIS 572           HE2      HIS 572  61.232   9.068  -8.186
  250    H    PHE 573           HN       PHE 573  60.945   3.375  -3.824
  251    HA   PHE 573           HA       PHE 573  60.404   3.536  -0.964
  252    HB2  PHE 573           HB2      PHE 573  59.534   1.680  -2.404
  253    HB3  PHE 573           HB1      PHE 573  61.192   1.149  -2.666
  254    HD1  PHE 573           HD1      PHE 573  59.172   2.246   0.315
  255    HD2  PHE 573           HD2      PHE 573  61.771  -0.713  -1.398
  256    HE1  PHE 573           HE1      PHE 573  59.097   0.956   2.429
  257    HE2  PHE 573           HE2      PHE 573  61.697  -2.002   0.718
  258    HZ   PHE 573           HZ       PHE 573  60.359  -1.168   2.631
  259    H    VAL 574           HN       VAL 574  62.247   4.691  -0.210
  260    HA   VAL 574           HA       VAL 574  64.858   3.283  -0.505
  261    HB   VAL 574           HB       VAL 574  65.883   5.417   0.176
  262   HG11  VAL 574          HG11      VAL 574  64.813   4.835  -2.245
  263   HG12  VAL 574          HG12      VAL 574  65.704   6.321  -1.921
  264   HG13  VAL 574          HG13      VAL 574  63.941   6.324  -1.882
  265   HG21  VAL 574          HG21      VAL 574  64.394   7.427   0.377
  266   HG22  VAL 574          HG22      VAL 574  64.140   6.252   1.668
  267   HG23  VAL 574          HG23      VAL 574  62.996   6.352   0.328
  268    H    CYS 575           HN       CYS 575  66.309   3.614   1.497
  269    HA   CYS 575           HA       CYS 575  64.965   2.399   3.779
  270    HB2  CYS 575           HB2      CYS 575  67.189   1.660   3.285
  271    HB3  CYS 575           HB1      CYS 575  67.802   3.308   3.254
  272    H    ALA 576           HN       ALA 576  64.212   3.447   5.573
  273    HA   ALA 576           HA       ALA 576  64.203   6.350   5.664
  274    HB1  ALA 576           HB1      ALA 576  63.353   4.234   7.660
  275    HB2  ALA 576           HB2      ALA 576  62.315   5.187   6.599
  276    HB3  ALA 576           HB3      ALA 576  63.153   5.964   7.942
  277    H    PHE 577           HN       PHE 577  66.864   5.377   5.586
  278    HA   PHE 577           HA       PHE 577  67.918   6.546   8.099
  279    HB2  PHE 577           HB2      PHE 577  67.855   3.906   8.082
  280    HB3  PHE 577           HB1      PHE 577  69.235   4.074   7.002
  281    HD1  PHE 577           HD1      PHE 577  71.367   4.250   7.932
  282    HD2  PHE 577           HD2      PHE 577  67.957   5.410  10.274
  283    HE1  PHE 577           HE1      PHE 577  72.844   4.659   9.882
  284    HE2  PHE 577           HE2      PHE 577  69.434   5.819  12.222
  285    HZ   PHE 577           HZ       PHE 577  71.877   5.443  12.027
  286    H    CYS 578           HN       CYS 578  69.068   4.903   5.150
  287    HA   CYS 578           HA       CYS 578  71.006   7.121   4.722
  288    HB2  CYS 578           HB2      CYS 578  71.795   5.509   2.854
  289    HB3  CYS 578           HB1      CYS 578  72.091   5.026   4.523
  290    H    LEU 579           HN       LEU 579  68.015   5.863   3.589
  291    HA   LEU 579           HA       LEU 579  66.589   6.481   1.846
  292    HB2  LEU 579           HB2      LEU 579  68.184   9.056   2.039
  293    HB3  LEU 579           HB1      LEU 579  66.620   8.874   1.246
  294    HG   LEU 579           HG       LEU 579  66.120   7.790   3.726
  295   HD11  LEU 579          HD11      LEU 579  67.845  10.240   4.176
  296   HD12  LEU 579          HD12      LEU 579  68.409   8.590   4.436
  297   HD13  LEU 579          HD13      LEU 579  67.082   9.230   5.404
  298   HD21  LEU 579          HD21      LEU 579  64.675   9.370   2.537
  299   HD22  LEU 579          HD22      LEU 579  65.830  10.673   2.817
  300   HD23  LEU 579          HD23      LEU 579  64.964   9.956   4.175
  301    H    LYS 580           HN       LYS 580  69.417   5.403   1.222
  302    HA   LYS 580           HA       LYS 580  70.146   6.598  -1.320
  303    HB2  LYS 580           HB2      LYS 580  71.632   4.642  -1.559
  304    HB3  LYS 580           HB1      LYS 580  71.778   5.342   0.052
  305    HG2  LYS 580           HG2      LYS 580  69.955   3.613   0.732
  306    HG3  LYS 580           HG1      LYS 580  70.382   2.799  -0.772
  307    HD2  LYS 580           HD2      LYS 580  72.828   3.453   0.504
  308    HD3  LYS 580           HD1      LYS 580  71.777   2.775   1.747
  309    HE2  LYS 580           HE2      LYS 580  72.979   0.951   0.695
  310    HE3  LYS 580           HE1      LYS 580  71.288   0.857   0.202
  311    HZ1  LYS 580           HZ1      LYS 580  72.786   2.526  -1.546
  312    HZ2  LYS 580           HZ2      LYS 580  71.850   1.155  -1.908
  313    HZ3  LYS 580           HZ3      LYS 580  73.478   0.981  -1.452
  314    H    GLN 581           HN       GLN 581  68.579   3.509  -0.455
  315    HA   GLN 581           HA       GLN 581  66.570   3.626  -2.453
  316    HB2  GLN 581           HB2      GLN 581  69.060   3.042  -3.587
  317    HB3  GLN 581           HB1      GLN 581  68.310   1.464  -3.384
  318    HG2  GLN 581           HG2      GLN 581  66.362   3.353  -4.376
  319    HG3  GLN 581           HG1      GLN 581  67.785   3.358  -5.417
  320   HE21  GLN 581          HE21      GLN 581  65.116   1.386  -4.237
  321   HE22  GLN 581          HE22      GLN 581  65.359   0.089  -5.303
  322    H    LEU 582           HN       LEU 582  65.362   1.513  -2.493
  323    HA   LEU 582           HA       LEU 582  66.262  -0.548  -0.627
  324    HB2  LEU 582           HB2      LEU 582  65.162   1.499   0.649
  325    HB3  LEU 582           HB1      LEU 582  63.663   0.722   0.149
  326    HG   LEU 582           HG       LEU 582  64.592  -1.428   1.109
  327   HD11  LEU 582          HD11      LEU 582  66.781  -1.398   1.642
  328   HD12  LEU 582          HD12      LEU 582  66.333  -0.415   3.035
  329   HD13  LEU 582          HD13      LEU 582  66.849   0.361   1.540
  330   HD21  LEU 582          HD21      LEU 582  63.798   1.006   2.634
  331   HD22  LEU 582          HD22      LEU 582  64.389  -0.368   3.568
  332   HD23  LEU 582          HD23      LEU 582  62.988  -0.555   2.514
  333    H    ASN 583           HN       ASN 583  64.825  -2.391  -0.575
  334    HA   ASN 583           HA       ASN 583  62.582  -2.428  -2.497
  335    HB2  ASN 583           HB2      ASN 583  63.506  -4.409  -3.663
  336    HB3  ASN 583           HB1      ASN 583  64.548  -3.003  -3.872
  337   HD21  ASN 583          HD21      ASN 583  66.451  -2.874  -2.270
  338   HD22  ASN 583          HD22      ASN 583  67.157  -4.334  -1.768
  339    H    LYS 584           HN       LYS 584  60.969  -3.648  -1.632
  340    HA   LYS 584           HA       LYS 584  61.037  -4.792   0.930
  341    HB2  LYS 584           HB2      LYS 584  58.895  -4.424   0.005
  342    HB3  LYS 584           HB1      LYS 584  59.295  -5.272  -1.485
  343    HG2  LYS 584           HG2      LYS 584  57.824  -6.688  -0.179
  344    HG3  LYS 584           HG1      LYS 584  59.431  -7.408  -0.165
  345    HD2  LYS 584           HD2      LYS 584  58.532  -7.461   2.094
  346    HD3  LYS 584           HD1      LYS 584  59.853  -6.296   2.040
  347    HE2  LYS 584           HE2      LYS 584  58.433  -4.467   2.220
  348    HE3  LYS 584           HE1      LYS 584  57.073  -5.323   1.495
  349    HZ1  LYS 584           HZ1      LYS 584  56.356  -5.705   3.541
  350    HZ2  LYS 584           HZ2      LYS 584  57.773  -5.071   4.231
  351    HZ3  LYS 584           HZ3      LYS 584  57.698  -6.711   3.792
  352    H    GLY 585           HN       GLY 585  62.072  -6.129  -2.121
  353    HA2  GLY 585           HA2      GLY 585  62.076  -8.888  -1.562
  354    HA3  GLY 585           HA1      GLY 585  63.224  -8.096  -2.632
  355    H    THR 586           HN       THR 586  64.339  -6.395  -0.451
  356    HA   THR 586           HA       THR 586  65.514  -8.432   1.365
  357    HB   THR 586           HB       THR 586  67.816  -7.760   0.781
  358    HG1  THR 586           HG1      THR 586  66.541  -6.290  -1.284
  359   HG21  THR 586          HG21      THR 586  67.944  -8.883  -1.373
  360   HG22  THR 586          HG22      THR 586  66.236  -8.568  -1.678
  361   HG23  THR 586          HG23      THR 586  66.713  -9.675  -0.391
  362    H    PHE 587           HN       PHE 587  63.775  -6.087   1.838
  363    HA   PHE 587           HA       PHE 587  65.686  -4.275   3.239
  364    HB2  PHE 587           HB2      PHE 587  64.194  -2.576   2.973
  365    HB3  PHE 587           HB1      PHE 587  63.529  -3.588   1.707
  366    HD1  PHE 587           HD1      PHE 587  62.564  -1.621   4.327
  367    HD2  PHE 587           HD2      PHE 587  61.986  -5.625   2.879
  368    HE1  PHE 587           HE1      PHE 587  60.431  -1.767   5.580
  369    HE2  PHE 587           HE2      PHE 587  59.855  -5.768   4.136
  370    HZ   PHE 587           HZ       PHE 587  59.076  -3.840   5.485
  371    H    LYS 588           HN       LYS 588  64.597  -3.383   5.321
  372    HA   LYS 588           HA       LYS 588  63.256  -5.496   6.907
  373    HB2  LYS 588           HB2      LYS 588  65.905  -4.174   7.546
  374    HB3  LYS 588           HB1      LYS 588  64.908  -4.909   8.795
  375    HG2  LYS 588           HG2      LYS 588  65.964  -6.340   6.337
  376    HG3  LYS 588           HG1      LYS 588  66.647  -6.467   7.955
  377    HD2  LYS 588           HD2      LYS 588  63.923  -7.393   7.027
  378    HD3  LYS 588           HD1      LYS 588  65.235  -8.378   7.661
  379    HE2  LYS 588           HE2      LYS 588  65.024  -7.057   9.828
  380    HE3  LYS 588           HE1      LYS 588  63.529  -6.389   9.174
  381    HZ1  LYS 588           HZ1      LYS 588  64.130  -9.262   9.612
  382    HZ2  LYS 588           HZ2      LYS 588  62.717  -8.669   8.881
  383    HZ3  LYS 588           HZ3      LYS 588  63.048  -8.313  10.509
  384    H    GLU 589           HN       GLU 589  62.486  -4.425   9.052
  385    HA   GLU 589           HA       GLU 589  62.185  -1.488   8.715
  386    HB2  GLU 589           HB2      GLU 589  59.866  -1.506   8.811
  387    HB3  GLU 589           HB1      GLU 589  60.172  -2.969   7.875
  388    HG2  GLU 589           HG2      GLU 589  60.247  -4.108  10.259
  389    HG3  GLU 589           HG1      GLU 589  59.312  -2.690  10.738
  390    H    GLN 590           HN       GLN 590  61.843  -0.350  10.630
  391    HA   GLN 590           HA       GLN 590  61.702  -1.766  13.198
  392    HB2  GLN 590           HB2      GLN 590  64.170  -1.659  12.493
  393    HB3  GLN 590           HB1      GLN 590  64.034   0.088  12.659
  394    HG2  GLN 590           HG2      GLN 590  64.865  -0.704  14.751
  395    HG3  GLN 590           HG1      GLN 590  63.167  -0.319  15.019
  396   HE21  GLN 590          HE21      GLN 590  64.420  -3.216  13.335
  397   HE22  GLN 590          HE22      GLN 590  63.816  -4.331  14.464
  398    H    ASN 591           HN       ASN 591  61.016  -0.312  14.863
  399    HA   ASN 591           HA       ASN 591  59.829   1.547  15.654
  400    HB2  ASN 591           HB2      ASN 591  61.974   2.794  13.934
  401    HB3  ASN 591           HB1      ASN 591  60.813   3.782  14.815
  402   HD21  ASN 591          HD21      ASN 591  63.848   2.404  15.102
  403   HD22  ASN 591          HD22      ASN 591  63.955   2.333  16.795
  404    H    ASP 592           HN       ASP 592  59.076   0.265  12.925
  405    HA   ASP 592           HA       ASP 592  57.181   0.579  11.553
  406    HB2  ASP 592           HB2      ASP 592  56.542   2.197  13.586
  407    HB3  ASP 592           HB1      ASP 592  56.842   3.432  12.363
  408    H    LYS 593           HN       LYS 593  59.950   1.222  10.777
  409    HA   LYS 593           HA       LYS 593  59.269   2.848   8.406
  410    HB2  LYS 593           HB2      LYS 593  61.829   3.783   9.056
  411    HB3  LYS 593           HB1      LYS 593  60.324   4.690   9.156
  412    HG2  LYS 593           HG2      LYS 593  60.060   3.616  11.499
  413    HG3  LYS 593           HG1      LYS 593  61.768   3.213  11.350
  414    HD2  LYS 593           HD2      LYS 593  61.846   5.296  12.411
  415    HD3  LYS 593           HD1      LYS 593  62.052   5.732  10.715
  416    HE2  LYS 593           HE2      LYS 593  60.391   7.213  11.683
  417    HE3  LYS 593           HE1      LYS 593  59.571   6.112  10.576
  418    HZ1  LYS 593           HZ1      LYS 593  58.265   5.600  12.279
  419    HZ2  LYS 593           HZ2      LYS 593  59.255   6.413  13.395
  420    HZ3  LYS 593           HZ3      LYS 593  59.587   4.800  12.977
  421    HA   PRO 594           HA       PRO 594  61.733  -0.214   6.411
  422    HB2  PRO 594           HB2      PRO 594  62.728   1.268   4.321
  423    HB3  PRO 594           HB1      PRO 594  61.081   0.635   4.403
  424    HG2  PRO 594           HG2      PRO 594  62.065   3.407   4.870
  425    HG3  PRO 594           HG1      PRO 594  60.536   2.859   4.177
  426    HD2  PRO 594           HD2      PRO 594  60.817   3.808   6.772
  427    HD3  PRO 594           HD1      PRO 594  59.513   2.713   6.246
  428    H    TYR 595           HN       TYR 595  63.850  -0.899   6.003
  429    HA   TYR 595           HA       TYR 595  66.165   0.843   6.377
  430    HB2  TYR 595           HB2      TYR 595  65.398  -1.230   8.463
  431    HB3  TYR 595           HB1      TYR 595  67.027  -0.584   8.305
  432    HD1  TYR 595           HD1      TYR 595  63.928  -0.166   9.923
  433    HD2  TYR 595           HD2      TYR 595  67.154   2.076   8.194
  434    HE1  TYR 595           HE1      TYR 595  63.276   1.811  11.264
  435    HE2  TYR 595           HE2      TYR 595  66.496   4.055   9.538
  436    HH   TYR 595           HH       TYR 595  64.490   4.928  10.656
  437    H    CYS 596           HN       CYS 596  67.649  -0.019   4.941
  438    HA   CYS 596           HA       CYS 596  67.241  -2.399   3.499
  439    HB2  CYS 596           HB2      CYS 596  70.057  -1.640   4.149
  440    HB3  CYS 596           HB1      CYS 596  69.356  -2.094   2.600
  441    H    GLN 597           HN       GLN 597  67.918  -4.533   3.817
  442    HA   GLN 597           HA       GLN 597  67.886  -5.594   6.407
  443    HB2  GLN 597           HB2      GLN 597  67.643  -7.284   4.868
  444    HB3  GLN 597           HB1      GLN 597  68.733  -6.509   3.723
  445    HG2  GLN 597           HG2      GLN 597  69.699  -8.616   4.548
  446    HG3  GLN 597           HG1      GLN 597  70.670  -7.242   5.065
  447   HE21  GLN 597          HE21      GLN 597  67.667  -7.507   6.769
  448   HE22  GLN 597          HE22      GLN 597  68.285  -8.214   8.182
  449    H    ASN 598           HN       ASN 598  70.605  -4.409   4.501
  450    HA   ASN 598           HA       ASN 598  72.675  -5.201   6.334
  451    HB2  ASN 598           HB2      ASN 598  73.797  -3.052   5.201
  452    HB3  ASN 598           HB1      ASN 598  73.628  -4.568   4.334
  453   HD21  ASN 598          HD21      ASN 598  71.468  -4.768   3.064
  454   HD22  ASN 598          HD22      ASN 598  70.920  -3.365   2.277
  455    H    CYS 599           HN       CYS 599  70.795  -2.250   5.858
  456    HA   CYS 599           HA       CYS 599  71.937  -0.716   7.987
  457    HB2  CYS 599           HB2      CYS 599  69.292  -0.660   6.545
  458    HB3  CYS 599           HB1      CYS 599  69.527   0.343   7.971
  459    H    PHE 600           HN       PHE 600  68.808  -2.487   7.960
  460    HA   PHE 600           HA       PHE 600  68.234  -2.408  10.710
  461    HB2  PHE 600           HB2      PHE 600  66.629  -3.368   9.209
  462    HB3  PHE 600           HB1      PHE 600  67.784  -4.558   8.622
  463    HD1  PHE 600           HD1      PHE 600  68.488  -6.454  10.082
  464    HD2  PHE 600           HD2      PHE 600  65.389  -3.715  11.247
  465    HE1  PHE 600           HE1      PHE 600  67.717  -8.060  11.804
  466    HE2  PHE 600           HE2      PHE 600  64.620  -5.325  12.971
  467    HZ   PHE 600           HZ       PHE 600  65.783  -7.495  13.249
  468    H    LEU 601           HN       LEU 601  70.214  -4.748   8.929
  469    HA   LEU 601           HA       LEU 601  71.032  -6.366  11.119
  470    HB2  LEU 601           HB2      LEU 601  71.409  -7.013   8.798
  471    HB3  LEU 601           HB1      LEU 601  72.431  -5.609   8.536
  472    HG   LEU 601           HG       LEU 601  73.916  -6.557  10.421
  473   HD11  LEU 601          HD11      LEU 601  73.731  -9.030  10.675
  474   HD12  LEU 601          HD12      LEU 601  72.243  -8.992   9.728
  475   HD13  LEU 601          HD13      LEU 601  72.311  -8.188  11.296
  476   HD21  LEU 601          HD21      LEU 601  74.542  -6.573   8.047
  477   HD22  LEU 601          HD22      LEU 601  73.598  -8.040   7.793
  478   HD23  LEU 601          HD23      LEU 601  75.038  -8.083   8.813
  479    H    LYS 602           HN       LYS 602  71.917  -3.193  10.077
  480    HA   LYS 602           HA       LYS 602  74.315  -3.029  11.792
  481    HB2  LYS 602           HB2      LYS 602  73.586  -1.819   9.419
  482    HB3  LYS 602           HB1      LYS 602  73.254  -0.555  10.596
  483    HG2  LYS 602           HG2      LYS 602  75.514  -0.230   9.980
  484    HG3  LYS 602           HG1      LYS 602  75.582  -1.040  11.544
  485    HD2  LYS 602           HD2      LYS 602  77.152  -2.206  10.186
  486    HD3  LYS 602           HD1      LYS 602  75.725  -3.240  10.219
  487    HE2  LYS 602           HE2      LYS 602  75.114  -2.692   8.026
  488    HE3  LYS 602           HE1      LYS 602  76.031  -1.185   8.043
  489    HZ1  LYS 602           HZ1      LYS 602  77.169  -2.821   6.721
  490    HZ2  LYS 602           HZ2      LYS 602  77.156  -3.934   8.004
  491    HZ3  LYS 602           HZ3      LYS 602  78.076  -2.510   8.120
  492    H    LEU 603           HN       LEU 603  71.002  -1.750  11.635
  493    HA   LEU 603           HA       LEU 603  71.368  -0.146  14.061
  494    HB2  LEU 603           HB2      LEU 603  68.676  -0.789  12.892
  495    HB3  LEU 603           HB1      LEU 603  69.222   0.690  13.666
  496    HG   LEU 603           HG       LEU 603  69.973  -0.297  10.909
  497   HD11  LEU 603          HD11      LEU 603  68.884   1.798  10.192
  498   HD12  LEU 603          HD12      LEU 603  68.494   2.164  11.873
  499   HD13  LEU 603          HD13      LEU 603  67.764   0.766  11.082
  500   HD21  LEU 603          HD21      LEU 603  71.961   0.714  11.776
  501   HD22  LEU 603          HD22      LEU 603  71.043   1.998  12.564
  502   HD23  LEU 603          HD23      LEU 603  71.175   1.960  10.805
  503    H    PHE 604           HN       PHE 604  69.266  -2.890  13.172
  504    HA   PHE 604           HA       PHE 604  68.520  -3.414  15.917
  505    HB2  PHE 604           HB2      PHE 604  67.278  -4.024  13.703
  506    HB3  PHE 604           HB1      PHE 604  68.313  -5.450  13.714
  507    HD1  PHE 604           HD1      PHE 604  65.933  -3.511  15.852
  508    HD2  PHE 604           HD2      PHE 604  67.770  -7.312  15.055
  509    HE1  PHE 604           HE1      PHE 604  64.443  -4.581  17.520
  510    HE2  PHE 604           HE2      PHE 604  66.279  -8.382  16.723
  511    HZ   PHE 604           HZ       PHE 604  64.616  -7.016  17.955
  512    H    CYS 605           HN       CYS 605  71.215  -4.312  13.949
  513    HA   CYS 605           HA       CYS 605  72.216  -6.005  16.179
  514    HB2  CYS 605           HB2      CYS 605  71.089  -7.331  14.188
  515    HB3  CYS 605           HB1      CYS 605  72.617  -6.999  13.375
  516    HG   CYS 605           HG       CYS 605  72.628  -8.384  16.175
  Start of MODEL   18
    1    H    TYR 541           HT1      TYR 541  44.848   7.654 -16.905
    2    HA   TYR 541           HA       TYR 541  42.672   8.112 -18.867
    3    HB2  TYR 541           HB2      TYR 541  43.069   5.554 -19.222
    4    HB3  TYR 541           HB1      TYR 541  44.124   6.695 -20.052
    5    HD1  TYR 541           HD1      TYR 541  43.911   4.084 -17.518
    6    HD2  TYR 541           HD2      TYR 541  46.409   7.185 -19.133
    7    HE1  TYR 541           HE1      TYR 541  45.881   3.084 -16.394
    8    HE2  TYR 541           HE2      TYR 541  48.378   6.183 -18.007
    9    HH   TYR 541           HH       TYR 541  48.571   4.558 -15.744
   10    H    HIS 542           HN       HIS 542  40.937   8.217 -17.519
   11    HA   HIS 542           HA       HIS 542  39.603   7.803 -15.606
   12    HB2  HIS 542           HB2      HIS 542  38.815   5.397 -15.633
   13    HB3  HIS 542           HB1      HIS 542  38.713   6.222 -17.184
   14    HD1  HIS 542           HD1      HIS 542  40.711   3.594 -15.359
   15    HD2  HIS 542           HD2      HIS 542  40.422   5.205 -19.193
   16    HE1  HIS 542           HE1      HIS 542  42.075   2.092 -16.872
   17    H    GLU 543           HN       GLU 543  40.055   4.804 -14.539
   18    HA   GLU 543           HA       GLU 543  42.485   5.260 -12.936
   19    HB2  GLU 543           HB2      GLU 543  41.382   5.130 -10.800
   20    HB3  GLU 543           HB1      GLU 543  40.575   6.396 -11.724
   21    HG2  GLU 543           HG2      GLU 543  38.675   5.272 -11.161
   22    HG3  GLU 543           HG1      GLU 543  39.138   4.211 -12.491
   23    H    ARG 544           HN       ARG 544  42.617   3.271 -11.294
   24    HA   ARG 544           HA       ARG 544  41.362   0.824 -12.329
   25    HB2  ARG 544           HB2      ARG 544  43.848   1.656 -13.386
   26    HB3  ARG 544           HB1      ARG 544  44.217   0.351 -12.259
   27    HG2  ARG 544           HG2      ARG 544  41.970   0.086 -14.256
   28    HG3  ARG 544           HG1      ARG 544  43.633  -0.289 -14.703
   29    HD2  ARG 544           HD2      ARG 544  43.676  -1.777 -12.595
   30    HD3  ARG 544           HD1      ARG 544  41.919  -1.619 -12.604
   31    HE   ARG 544           HE       ARG 544  42.534  -2.401 -15.194
   32   HH11  ARG 544          HH11      ARG 544  42.629  -4.561 -15.828
   33   HH12  ARG 544          HH12      ARG 544  42.950  -5.786 -14.647
   34   HH21  ARG 544          HH21      ARG 544  43.197  -3.558 -12.008
   35   HH22  ARG 544          HH22      ARG 544  43.271  -5.219 -12.489
   36    H    ARG 545           HN       ARG 545  42.232   2.603  -9.803
   37    HA   ARG 545           HA       ARG 545  42.532   2.176  -7.528
   38    HB2  ARG 545           HB2      ARG 545  41.970  -0.723  -8.186
   39    HB3  ARG 545           HB1      ARG 545  41.712   0.109  -6.658
   40    HG2  ARG 545           HG2      ARG 545  40.139   1.655  -8.007
   41    HG3  ARG 545           HG1      ARG 545  40.175   0.389  -9.233
   42    HD2  ARG 545           HD2      ARG 545  39.649  -1.195  -7.215
   43    HD3  ARG 545           HD1      ARG 545  39.104   0.282  -6.434
   44    HE   ARG 545           HE       ARG 545  37.598  -1.212  -8.306
   45   HH11  ARG 545          HH11      ARG 545  36.007  -0.362  -9.629
   46   HH12  ARG 545          HH12      ARG 545  35.918   1.350  -9.876
   47   HH21  ARG 545          HH21      ARG 545  38.614   2.062  -7.835
   48   HH22  ARG 545          HH22      ARG 545  37.394   2.713  -8.872
   49    H    GLY 546           HN       GLY 546  43.612  -1.034  -8.531
   50    HA2  GLY 546           HA2      GLY 546  45.715  -2.044  -8.387
   51    HA3  GLY 546           HA1      GLY 546  46.355  -0.458  -8.809
   52    H    SER 547           HN       SER 547  47.359   0.731  -7.232
   53    HA   SER 547           HA       SER 547  46.835   0.395  -4.402
   54    HB2  SER 547           HB2      SER 547  48.828  -1.314  -5.661
   55    HB3  SER 547           HB1      SER 547  49.555  -0.290  -4.428
   56    HG   SER 547           HG       SER 547  47.224  -1.887  -4.101
   57    H    LEU 548           HN       LEU 548  47.181   2.440  -3.660
   58    HA   LEU 548           HA       LEU 548  48.715   4.359  -5.187
   59    HB2  LEU 548           HB2      LEU 548  47.253   4.397  -2.571
   60    HB3  LEU 548           HB1      LEU 548  48.388   5.693  -2.925
   61    HG   LEU 548           HG       LEU 548  47.207   6.233  -4.986
   62   HD11  LEU 548          HD11      LEU 548  45.578   3.790  -4.277
   63   HD12  LEU 548          HD12      LEU 548  46.453   4.121  -5.772
   64   HD13  LEU 548          HD13      LEU 548  44.986   5.021  -5.392
   65   HD21  LEU 548          HD21      LEU 548  45.107   7.035  -4.033
   66   HD22  LEU 548          HD22      LEU 548  46.384   7.191  -2.828
   67   HD23  LEU 548          HD23      LEU 548  45.225   5.866  -2.718
   68    H    CYS 549           HN       CYS 549  50.799   5.036  -4.876
   69    HA   CYS 549           HA       CYS 549  52.550   3.407  -3.206
   70    HB2  CYS 549           HB2      CYS 549  53.747   4.048  -5.062
   71    HB3  CYS 549           HB1      CYS 549  52.863   5.559  -5.240
   72    H    SER 550           HN       SER 550  52.495   3.796  -1.040
   73    HA   SER 550           HA       SER 550  51.504   6.095   0.214
   74    HB2  SER 550           HB2      SER 550  53.747   4.312   1.196
   75    HB3  SER 550           HB1      SER 550  52.828   5.430   2.196
   76    HG   SER 550           HG       SER 550  52.055   3.024   0.976
   77    H    GLY 551           HN       GLY 551  52.151   8.097  -0.181
   78    HA2  GLY 551           HA2      GLY 551  54.024   9.747   0.317
   79    HA3  GLY 551           HA1      GLY 551  55.062   8.651  -0.609
   80    H    CYS 552           HN       CYS 552  52.902   7.985  -2.490
   81    HA   CYS 552           HA       CYS 552  52.988  10.468  -4.153
   82    HB2  CYS 552           HB2      CYS 552  53.057   7.545  -4.733
   83    HB3  CYS 552           HB1      CYS 552  52.210   8.567  -5.891
   84    H    GLN 553           HN       GLN 553  50.893   8.062  -2.700
   85    HA   GLN 553           HA       GLN 553  48.567   7.934  -2.512
   86    HB2  GLN 553           HB2      GLN 553  48.854  10.892  -3.134
   87    HB3  GLN 553           HB1      GLN 553  47.336  10.130  -2.667
   88    HG2  GLN 553           HG2      GLN 553  48.206  10.938  -0.628
   89    HG3  GLN 553           HG1      GLN 553  48.638   9.232  -0.620
   90   HE21  GLN 553          HE21      GLN 553  50.656   9.215   0.429
   91   HE22  GLN 553          HE22      GLN 553  51.986  10.157  -0.044
   92    H    LYS 554           HN       LYS 554  49.939   7.472  -5.077
   93    HA   LYS 554           HA       LYS 554  47.574   7.767  -6.865
   94    HB2  LYS 554           HB2      LYS 554  50.482   8.276  -7.583
   95    HB3  LYS 554           HB1      LYS 554  49.190   8.113  -8.771
   96    HG2  LYS 554           HG2      LYS 554  49.196  10.162  -6.535
   97    HG3  LYS 554           HG1      LYS 554  49.705  10.498  -8.189
   98    HD2  LYS 554           HD2      LYS 554  47.403   9.607  -8.904
   99    HD3  LYS 554           HD1      LYS 554  46.953   9.734  -7.205
  100    HE2  LYS 554           HE2      LYS 554  48.131  12.050  -8.756
  101    HE3  LYS 554           HE1      LYS 554  46.395  11.766  -8.639
  102    HZ1  LYS 554           HZ1      LYS 554  46.471  11.995  -6.300
  103    HZ2  LYS 554           HZ2      LYS 554  47.333  13.312  -6.939
  104    HZ3  LYS 554           HZ3      LYS 554  48.167  11.990  -6.273
  105    HA   PRO 555           HA       PRO 555  47.872   3.381  -7.211
  106    HB2  PRO 555           HB2      PRO 555  47.556   3.703 -10.120
  107    HB3  PRO 555           HB1      PRO 555  46.539   2.844  -8.958
  108    HG2  PRO 555           HG2      PRO 555  45.937   5.301 -10.125
  109    HG3  PRO 555           HG1      PRO 555  45.173   4.645  -8.675
  110    HD2  PRO 555           HD2      PRO 555  46.978   6.922  -8.896
  111    HD3  PRO 555           HD1      PRO 555  46.090   6.347  -7.462
  112    H    ILE 556           HN       ILE 556  49.272   1.751  -7.921
  113    HA   ILE 556           HA       ILE 556  51.835   2.725  -9.096
  114    HB   ILE 556           HB       ILE 556  51.165   0.370  -7.307
  115   HG12  ILE 556          HG12      ILE 556  53.119   2.591  -6.722
  116   HG13  ILE 556          HG11      ILE 556  51.397   2.852  -6.466
  117   HG21  ILE 556          HG21      ILE 556  53.753   0.184  -7.286
  118   HG22  ILE 556          HG22      ILE 556  53.697   1.129  -8.774
  119   HG23  ILE 556          HG23      ILE 556  52.903  -0.443  -8.698
  120   HD11  ILE 556          HD11      ILE 556  51.758   1.932  -4.425
  121   HD12  ILE 556          HD12      ILE 556  53.293   1.220  -4.917
  122   HD13  ILE 556          HD13      ILE 556  51.780   0.393  -5.285
  123    H    THR 557           HN       THR 557  51.408   2.447 -11.300
  124    HA   THR 557           HA       THR 557  50.183  -0.025 -12.287
  125    HB   THR 557           HB       THR 557  50.672   1.018 -14.544
  126    HG1  THR 557           HG1      THR 557  52.392   2.299 -14.113
  127   HG21  THR 557          HG21      THR 557  49.146   2.538 -12.420
  128   HG22  THR 557          HG22      THR 557  48.509   1.401 -13.608
  129   HG23  THR 557          HG23      THR 557  49.094   2.981 -14.126
  130    H    GLY 558           HN       GLY 558  51.723  -1.590 -11.554
  131    HA2  GLY 558           HA2      GLY 558  53.417  -2.856 -13.136
  132    HA3  GLY 558           HA1      GLY 558  54.445  -1.476 -12.736
  133    H    ARG 559           HN       ARG 559  55.951  -2.816 -11.569
  134    HA   ARG 559           HA       ARG 559  55.248  -4.632  -9.495
  135    HB2  ARG 559           HB2      ARG 559  57.683  -3.081 -10.248
  136    HB3  ARG 559           HB1      ARG 559  57.616  -3.686  -8.594
  137    HG2  ARG 559           HG2      ARG 559  56.782  -5.652 -10.624
  138    HG3  ARG 559           HG1      ARG 559  58.467  -5.152 -10.761
  139    HD2  ARG 559           HD2      ARG 559  58.293  -5.497  -8.076
  140    HD3  ARG 559           HD1      ARG 559  57.114  -6.691  -8.607
  141    HE   ARG 559           HE       ARG 559  59.899  -7.075  -8.664
  142   HH11  ARG 559          HH11      ARG 559  60.974  -8.426 -10.093
  143   HH12  ARG 559          HH12      ARG 559  60.193  -8.926 -11.555
  144   HH21  ARG 559          HH21      ARG 559  57.272  -7.194 -10.914
  145   HH22  ARG 559          HH22      ARG 559  58.109  -8.228 -12.019
  146    H    CYS 560           HN       CYS 560  55.291  -4.257  -7.144
  147    HA   CYS 560           HA       CYS 560  55.147  -1.470  -6.227
  148    HB2  CYS 560           HB2      CYS 560  52.875  -1.564  -5.438
  149    HB3  CYS 560           HB1      CYS 560  52.858  -2.013  -7.141
  150    HG   CYS 560           HG       CYS 560  53.117  -4.513  -5.505
  151    H    ILE 561           HN       ILE 561  55.766  -1.315  -4.145
  152    HA   ILE 561           HA       ILE 561  56.426  -3.813  -2.710
  153    HB   ILE 561           HB       ILE 561  56.896  -1.056  -1.602
  154   HG12  ILE 561          HG12      ILE 561  57.594  -0.980  -3.996
  155   HG13  ILE 561          HG11      ILE 561  58.969  -0.876  -2.905
  156   HG21  ILE 561          HG21      ILE 561  58.118  -3.788  -1.388
  157   HG22  ILE 561          HG22      ILE 561  57.649  -2.669  -0.108
  158   HG23  ILE 561          HG23      ILE 561  59.110  -2.371  -1.050
  159   HD11  ILE 561          HD11      ILE 561  59.410  -2.445  -4.766
  160   HD12  ILE 561          HD12      ILE 561  58.019  -3.410  -4.273
  161   HD13  ILE 561          HD13      ILE 561  59.420  -3.273  -3.210
  162    H    THR 562           HN       THR 562  55.599  -4.257  -0.595
  163    HA   THR 562           HA       THR 562  53.247  -2.606   0.232
  164    HB   THR 562           HB       THR 562  53.407  -5.635   0.220
  165    HG1  THR 562           HG1      THR 562  53.010  -4.617  -1.816
  166   HG21  THR 562          HG21      THR 562  52.102  -5.093   2.097
  167   HG22  THR 562          HG22      THR 562  50.899  -5.267   0.819
  168   HG23  THR 562          HG23      THR 562  51.422  -3.660   1.326
  169    H    ALA 563           HN       ALA 563  54.106  -1.662   2.033
  170    HA   ALA 563           HA       ALA 563  55.799  -3.231   3.864
  171    HB1  ALA 563           HB1      ALA 563  56.274  -0.823   3.285
  172    HB2  ALA 563           HB2      ALA 563  56.158  -1.134   5.018
  173    HB3  ALA 563           HB3      ALA 563  54.809  -0.383   4.164
  174    H    MET 564           HN       MET 564  54.351  -1.242   5.925
  175    HA   MET 564           HA       MET 564  52.713  -3.325   7.114
  176    HB2  MET 564           HB2      MET 564  53.004  -0.377   7.748
  177    HB3  MET 564           HB1      MET 564  52.115  -1.524   8.747
  178    HG2  MET 564           HG2      MET 564  54.215  -2.886   8.948
  179    HG3  MET 564           HG1      MET 564  55.074  -1.602   8.097
  180    HE1  MET 564           HE1      MET 564  55.547  -2.957  10.856
  181    HE2  MET 564           HE2      MET 564  55.873  -1.694  12.039
  182    HE3  MET 564           HE3      MET 564  56.691  -1.661  10.480
  183    H    ALA 565           HN       ALA 565  51.622  -3.296   4.809
  184    HA   ALA 565           HA       ALA 565  49.496  -3.162   3.795
  185    HB1  ALA 565           HB1      ALA 565  48.781  -2.648   6.326
  186    HB2  ALA 565           HB2      ALA 565  47.664  -2.403   4.984
  187    HB3  ALA 565           HB3      ALA 565  48.540  -1.031   5.663
  188    H    LYS 566           HN       LYS 566  51.666  -0.663   4.464
  189    HA   LYS 566           HA       LYS 566  50.392   1.303   2.662
  190    HB2  LYS 566           HB2      LYS 566  52.621   1.288   4.607
  191    HB3  LYS 566           HB1      LYS 566  52.897   2.279   3.175
  192    HG2  LYS 566           HG2      LYS 566  50.670   3.365   3.566
  193    HG3  LYS 566           HG1      LYS 566  50.541   2.461   5.075
  194    HD2  LYS 566           HD2      LYS 566  52.861   4.297   4.418
  195    HD3  LYS 566           HD1      LYS 566  51.447   4.803   5.342
  196    HE2  LYS 566           HE2      LYS 566  52.594   4.077   7.159
  197    HE3  LYS 566           HE1      LYS 566  52.159   2.459   6.608
  198    HZ1  LYS 566           HZ1      LYS 566  54.660   3.949   6.050
  199    HZ2  LYS 566           HZ2      LYS 566  54.221   2.531   5.223
  200    HZ3  LYS 566           HZ3      LYS 566  54.490   2.491   6.900
  201    H    LYS 567           HN       LYS 567  50.903   1.433   0.513
  202    HA   LYS 567           HA       LYS 567  52.948  -0.439  -0.515
  203    HB2  LYS 567           HB2      LYS 567  50.653   1.068  -1.738
  204    HB3  LYS 567           HB1      LYS 567  51.933   0.422  -2.764
  205    HG2  LYS 567           HG2      LYS 567  50.048  -1.179  -2.506
  206    HG3  LYS 567           HG1      LYS 567  51.560  -1.824  -1.869
  207    HD2  LYS 567           HD2      LYS 567  50.899  -1.521   0.367
  208    HD3  LYS 567           HD1      LYS 567  49.663  -0.336  -0.062
  209    HE2  LYS 567           HE2      LYS 567  48.202  -1.991  -0.910
  210    HE3  LYS 567           HE1      LYS 567  49.488  -3.192  -1.009
  211    HZ1  LYS 567           HZ1      LYS 567  47.787  -3.188   0.965
  212    HZ2  LYS 567           HZ2      LYS 567  48.864  -2.042   1.611
  213    HZ3  LYS 567           HZ3      LYS 567  49.413  -3.601   1.215
  214    H    PHE 568           HN       PHE 568  54.232   0.446  -2.452
  215    HA   PHE 568           HA       PHE 568  54.889   3.319  -2.355
  216    HB2  PHE 568           HB2      PHE 568  56.834   1.167  -1.448
  217    HB3  PHE 568           HB1      PHE 568  57.339   2.781  -1.927
  218    HD1  PHE 568           HD1      PHE 568  55.640   0.769   0.636
  219    HD2  PHE 568           HD2      PHE 568  56.780   4.740  -0.545
  220    HE1  PHE 568           HE1      PHE 568  55.193   1.580   2.935
  221    HE2  PHE 568           HE2      PHE 568  56.327   5.552   1.755
  222    HZ   PHE 568           HZ       PHE 568  55.535   3.972   3.495
  223    H    HIS 569           HN       HIS 569  55.681   3.923  -4.387
  224    HA   HIS 569           HA       HIS 569  55.671   2.067  -6.558
  225    HB2  HIS 569           HB2      HIS 569  56.920   4.790  -6.168
  226    HB3  HIS 569           HB1      HIS 569  57.260   3.865  -7.626
  227    HD2  HIS 569           HD2      HIS 569  54.607   3.009  -8.907
  228    HE1  HIS 569           HE1      HIS 569  52.813   6.620  -7.648
  229    HE2  HIS 569           HE2      HIS 569  52.586   4.622  -9.211
  230    HA   PRO 570           HA       PRO 570  59.317  -0.293  -5.557
  231    HB2  PRO 570           HB2      PRO 570  59.817  -0.339  -8.474
  232    HB3  PRO 570           HB1      PRO 570  59.576  -1.681  -7.348
  233    HG2  PRO 570           HG2      PRO 570  57.685  -0.853  -9.169
  234    HG3  PRO 570           HG1      PRO 570  57.319  -1.723  -7.679
  235    HD2  PRO 570           HD2      PRO 570  56.778   1.092  -8.358
  236    HD3  PRO 570           HD1      PRO 570  56.096   0.100  -7.044
  237    H    GLU 571           HN       GLU 571  59.311   2.690  -7.201
  238    HA   GLU 571           HA       GLU 571  62.281   2.940  -7.018
  239    HB2  GLU 571           HB2      GLU 571  62.002   4.889  -8.530
  240    HB3  GLU 571           HB1      GLU 571  61.361   3.412  -9.251
  241    HG2  GLU 571           HG2      GLU 571  59.093   4.034  -8.634
  242    HG3  GLU 571           HG1      GLU 571  59.678   5.443  -7.756
  243    H    HIS 572           HN       HIS 572  59.295   3.935  -5.608
  244    HA   HIS 572           HA       HIS 572  60.576   6.302  -4.334
  245    HB2  HIS 572           HB2      HIS 572  57.682   5.385  -4.376
  246    HB3  HIS 572           HB1      HIS 572  58.265   6.809  -3.515
  247    HD2  HIS 572           HD2      HIS 572  60.429   7.394  -6.228
  248    HE1  HIS 572           HE1      HIS 572  56.767   8.426  -8.046
  249    HE2  HIS 572           HE2      HIS 572  59.294   8.604  -8.227
  250    H    PHE 573           HN       PHE 573  59.892   3.029  -3.750
  251    HA   PHE 573           HA       PHE 573  59.566   3.199  -0.862
  252    HB2  PHE 573           HB2      PHE 573  58.777   1.238  -2.191
  253    HB3  PHE 573           HB1      PHE 573  60.449   0.874  -2.602
  254    HD1  PHE 573           HD1      PHE 573  61.379  -0.863  -1.368
  255    HD2  PHE 573           HD2      PHE 573  58.560   1.766   0.529
  256    HE1  PHE 573           HE1      PHE 573  61.629  -2.123   0.753
  257    HE2  PHE 573           HE2      PHE 573  58.810   0.505   2.648
  258    HZ   PHE 573           HZ       PHE 573  60.343  -1.440   2.759
  259    H    VAL 574           HN       VAL 574  61.340   4.556  -0.279
  260    HA   VAL 574           HA       VAL 574  64.052   3.422  -0.762
  261    HB   VAL 574           HB       VAL 574  64.892   5.654  -0.137
  262   HG11  VAL 574          HG11      VAL 574  64.452   6.548  -2.201
  263   HG12  VAL 574          HG12      VAL 574  62.708   6.342  -2.035
  264   HG13  VAL 574          HG13      VAL 574  63.720   4.968  -2.479
  265   HG21  VAL 574          HG21      VAL 574  61.942   6.273   0.241
  266   HG22  VAL 574          HG22      VAL 574  63.216   7.491   0.198
  267   HG23  VAL 574          HG23      VAL 574  63.187   6.292   1.490
  268    H    CYS 575           HN       CYS 575  65.602   3.941   1.151
  269    HA   CYS 575           HA       CYS 575  64.553   2.569   3.505
  270    HB2  CYS 575           HB2      CYS 575  66.810   2.078   2.856
  271    HB3  CYS 575           HB1      CYS 575  67.237   3.784   2.813
  272    H    ALA 576           HN       ALA 576  63.796   3.534   5.345
  273    HA   ALA 576           HA       ALA 576  63.512   6.423   5.466
  274    HB1  ALA 576           HB1      ALA 576  62.967   4.207   7.456
  275    HB2  ALA 576           HB2      ALA 576  61.793   5.113   6.501
  276    HB3  ALA 576           HB3      ALA 576  62.660   5.906   7.815
  277    H    PHE 577           HN       PHE 577  66.228   5.775   5.201
  278    HA   PHE 577           HA       PHE 577  67.326   6.988   7.669
  279    HB2  PHE 577           HB2      PHE 577  67.513   4.366   7.644
  280    HB3  PHE 577           HB1      PHE 577  68.772   4.645   6.445
  281    HD1  PHE 577           HD1      PHE 577  67.691   6.013   9.780
  282    HD2  PHE 577           HD2      PHE 577  70.951   4.873   7.224
  283    HE1  PHE 577           HE1      PHE 577  69.298   6.551  11.589
  284    HE2  PHE 577           HE2      PHE 577  72.557   5.413   9.034
  285    HZ   PHE 577           HZ       PHE 577  71.731   6.252  11.216
  286    H    CYS 578           HN       CYS 578  68.448   5.484   4.635
  287    HA   CYS 578           HA       CYS 578  70.130   7.885   4.119
  288    HB2  CYS 578           HB2      CYS 578  70.955   6.366   2.187
  289    HB3  CYS 578           HB1      CYS 578  71.404   5.912   3.829
  290    H    LEU 579           HN       LEU 579  67.214   6.342   3.148
  291    HA   LEU 579           HA       LEU 579  65.640   6.818   1.488
  292    HB2  LEU 579           HB2      LEU 579  66.954   9.550   1.639
  293    HB3  LEU 579           HB1      LEU 579  65.371   9.205   0.943
  294    HG   LEU 579           HG       LEU 579  65.154   8.046   3.430
  295   HD11  LEU 579          HD11      LEU 579  67.382   9.085   4.010
  296   HD12  LEU 579          HD12      LEU 579  66.058   9.570   5.068
  297   HD13  LEU 579          HD13      LEU 579  66.628  10.666   3.810
  298   HD21  LEU 579          HD21      LEU 579  64.493  10.890   2.594
  299   HD22  LEU 579          HD22      LEU 579  63.797  10.063   3.988
  300   HD23  LEU 579          HD23      LEU 579  63.472   9.470   2.360
  301    H    LYS 580           HN       LYS 580  68.517   6.050   0.694
  302    HA   LYS 580           HA       LYS 580  68.997   7.360  -1.850
  303    HB2  LYS 580           HB2      LYS 580  70.653   5.567  -2.204
  304    HB3  LYS 580           HB1      LYS 580  70.803   6.236  -0.580
  305    HG2  LYS 580           HG2      LYS 580  69.189   4.319   0.126
  306    HG3  LYS 580           HG1      LYS 580  69.625   3.590  -1.419
  307    HD2  LYS 580           HD2      LYS 580  72.047   4.457  -0.213
  308    HD3  LYS 580           HD1      LYS 580  71.123   3.621   1.035
  309    HE2  LYS 580           HE2      LYS 580  72.422   1.947  -0.096
  310    HE3  LYS 580           HE1      LYS 580  70.754   1.749  -0.636
  311    HZ1  LYS 580           HZ1      LYS 580  71.417   2.085  -2.706
  312    HZ2  LYS 580           HZ2      LYS 580  73.025   2.264  -2.185
  313    HZ3  LYS 580           HZ3      LYS 580  72.008   3.621  -2.297
  314    H    GLN 581           HN       GLN 581  67.778   4.130  -0.975
  315    HA   GLN 581           HA       GLN 581  65.644   4.050  -2.819
  316    HB2  GLN 581           HB2      GLN 581  68.059   3.836  -4.193
  317    HB3  GLN 581           HB1      GLN 581  67.581   2.159  -3.958
  318    HG2  GLN 581           HG2      GLN 581  65.295   3.766  -4.731
  319    HG3  GLN 581           HG1      GLN 581  66.597   3.940  -5.905
  320   HE21  GLN 581          HE21      GLN 581  64.339   1.650  -4.465
  321   HE22  GLN 581          HE22      GLN 581  64.640   0.385  -5.553
  322    H    LEU 582           HN       LEU 582  64.651   1.851  -2.762
  323    HA   LEU 582           HA       LEU 582  66.002  -0.134  -1.080
  324    HB2  LEU 582           HB2      LEU 582  64.818   1.700   0.384
  325    HB3  LEU 582           HB1      LEU 582  63.353   0.821  -0.047
  326    HG   LEU 582           HG       LEU 582  64.510  -1.284   0.730
  327   HD11  LEU 582          HD11      LEU 582  66.702   0.547   0.933
  328   HD12  LEU 582          HD12      LEU 582  66.694  -1.189   1.236
  329   HD13  LEU 582          HD13      LEU 582  66.330  -0.064   2.543
  330   HD21  LEU 582          HD21      LEU 582  63.639   1.001   2.420
  331   HD22  LEU 582          HD22      LEU 582  64.458  -0.319   3.254
  332   HD23  LEU 582          HD23      LEU 582  62.993  -0.636   2.327
  333    H    ASN 583           HN       ASN 583  64.986  -2.149  -1.073
  334    HA   ASN 583           HA       ASN 583  62.550  -2.488  -2.737
  335    HB2  ASN 583           HB2      ASN 583  63.595  -4.347  -3.960
  336    HB3  ASN 583           HB1      ASN 583  64.519  -2.869  -4.217
  337   HD21  ASN 583          HD21      ASN 583  66.456  -2.592  -2.642
  338   HD22  ASN 583          HD22      ASN 583  67.303  -3.997  -2.207
  339    H    LYS 584           HN       LYS 584  61.157  -3.654  -1.508
  340    HA   LYS 584           HA       LYS 584  61.627  -4.696   1.013
  341    HB2  LYS 584           HB2      LYS 584  59.385  -4.807   0.612
  342    HB3  LYS 584           HB1      LYS 584  59.609  -5.215  -1.090
  343    HG2  LYS 584           HG2      LYS 584  59.929  -7.497  -0.640
  344    HG3  LYS 584           HG1      LYS 584  60.334  -7.203   1.048
  345    HD2  LYS 584           HD2      LYS 584  57.595  -6.855  -0.192
  346    HD3  LYS 584           HD1      LYS 584  58.120  -8.192   0.830
  347    HE2  LYS 584           HE2      LYS 584  57.218  -6.903   2.496
  348    HE3  LYS 584           HE1      LYS 584  58.797  -6.121   2.430
  349    HZ1  LYS 584           HZ1      LYS 584  57.393  -4.891   0.461
  350    HZ2  LYS 584           HZ2      LYS 584  57.659  -4.270   2.020
  351    HZ3  LYS 584           HZ3      LYS 584  56.223  -5.109   1.670
  352    H    GLY 585           HN       GLY 585  61.875  -6.473  -2.052
  353    HA2  GLY 585           HA2      GLY 585  62.360  -9.048  -1.327
  354    HA3  GLY 585           HA1      GLY 585  63.308  -8.276  -2.587
  355    H    THR 586           HN       THR 586  64.527  -6.361  -0.638
  356    HA   THR 586           HA       THR 586  66.105  -8.208   1.076
  357    HB   THR 586           HB       THR 586  68.224  -7.324   0.258
  358    HG1  THR 586           HG1      THR 586  66.679  -5.895  -1.639
  359   HG21  THR 586          HG21      THR 586  67.259  -9.265  -0.928
  360   HG22  THR 586          HG22      THR 586  68.190  -8.247  -2.027
  361   HG23  THR 586          HG23      THR 586  66.427  -8.173  -2.036
  362    H    PHE 587           HN       PHE 587  64.095  -6.108   1.684
  363    HA   PHE 587           HA       PHE 587  65.871  -4.048   2.924
  364    HB2  PHE 587           HB2      PHE 587  64.181  -2.539   2.731
  365    HB3  PHE 587           HB1      PHE 587  63.549  -3.654   1.536
  366    HD1  PHE 587           HD1      PHE 587  62.584  -1.751   4.219
  367    HD2  PHE 587           HD2      PHE 587  62.300  -5.803   2.820
  368    HE1  PHE 587           HE1      PHE 587  60.568  -2.096   5.620
  369    HE2  PHE 587           HE2      PHE 587  60.285  -6.145   4.221
  370    HZ   PHE 587           HZ       PHE 587  59.419  -4.292   5.621
  371    H    LYS 588           HN       LYS 588  64.860  -3.252   5.067
  372    HA   LYS 588           HA       LYS 588  63.864  -5.462   6.771
  373    HB2  LYS 588           HB2      LYS 588  66.443  -3.927   7.138
  374    HB3  LYS 588           HB1      LYS 588  65.597  -4.609   8.522
  375    HG2  LYS 588           HG2      LYS 588  66.351  -6.260   6.097
  376    HG3  LYS 588           HG1      LYS 588  67.410  -6.078   7.494
  377    HD2  LYS 588           HD2      LYS 588  66.296  -7.764   8.484
  378    HD3  LYS 588           HD1      LYS 588  64.884  -6.711   8.566
  379    HE2  LYS 588           HE2      LYS 588  64.072  -7.507   6.446
  380    HE3  LYS 588           HE1      LYS 588  65.572  -8.377   6.132
  381    HZ1  LYS 588           HZ1      LYS 588  63.660  -9.746   6.977
  382    HZ2  LYS 588           HZ2      LYS 588  63.846  -8.954   8.469
  383    HZ3  LYS 588           HZ3      LYS 588  65.110  -9.901   7.843
  384    H    GLU 589           HN       GLU 589  63.132  -4.443   8.945
  385    HA   GLU 589           HA       GLU 589  62.516  -1.555   8.593
  386    HB2  GLU 589           HB2      GLU 589  60.230  -1.807   8.878
  387    HB3  GLU 589           HB1      GLU 589  60.606  -3.267   7.963
  388    HG2  GLU 589           HG2      GLU 589  60.984  -4.316  10.350
  389    HG3  GLU 589           HG1      GLU 589  59.978  -2.971  10.886
  390    H    GLN 590           HN       GLN 590  62.244  -0.403  10.511
  391    HA   GLN 590           HA       GLN 590  62.490  -1.771  13.102
  392    HB2  GLN 590           HB2      GLN 590  64.850  -1.385  12.150
  393    HB3  GLN 590           HB1      GLN 590  64.522   0.335  12.336
  394    HG2  GLN 590           HG2      GLN 590  65.631  -0.320  14.338
  395    HG3  GLN 590           HG1      GLN 590  63.929  -0.175  14.769
  396   HE21  GLN 590          HE21      GLN 590  65.440  -2.871  12.959
  397   HE22  GLN 590          HE22      GLN 590  65.091  -4.056  14.123
  398    H    ASN 591           HN       ASN 591  61.698  -0.430  14.774
  399    HA   ASN 591           HA       ASN 591  60.404   1.302  15.667
  400    HB2  ASN 591           HB2      ASN 591  62.254   2.785  13.798
  401    HB3  ASN 591           HB1      ASN 591  61.084   3.624  14.810
  402   HD21  ASN 591          HD21      ASN 591  64.255   2.510  14.772
  403   HD22  ASN 591          HD22      ASN 591  64.532   2.447  16.445
  404    H    ASP 592           HN       ASP 592  59.570  -0.062  13.024
  405    HA   ASP 592           HA       ASP 592  57.533   0.040  11.832
  406    HB2  ASP 592           HB2      ASP 592  56.958   1.703  13.863
  407    HB3  ASP 592           HB1      ASP 592  57.003   2.882  12.550
  408    H    LYS 593           HN       LYS 593  60.200   0.986  10.826
  409    HA   LYS 593           HA       LYS 593  59.116   2.390   8.457
  410    HB2  LYS 593           HB2      LYS 593  61.642   3.600   8.928
  411    HB3  LYS 593           HB1      LYS 593  60.058   4.366   8.933
  412    HG2  LYS 593           HG2      LYS 593  59.840   3.572  11.359
  413    HG3  LYS 593           HG1      LYS 593  61.564   3.213  11.280
  414    HD2  LYS 593           HD2      LYS 593  61.974   5.577  10.564
  415    HD3  LYS 593           HD1      LYS 593  60.260   5.908  10.816
  416    HE2  LYS 593           HE2      LYS 593  61.187   6.564  12.861
  417    HE3  LYS 593           HE1      LYS 593  60.684   4.909  13.200
  418    HZ1  LYS 593           HZ1      LYS 593  62.801   4.680  13.858
  419    HZ2  LYS 593           HZ2      LYS 593  63.344   6.027  12.978
  420    HZ3  LYS 593           HZ3      LYS 593  63.137   4.529  12.202
  421    HA   PRO 594           HA       PRO 594  61.784  -0.391   6.319
  422    HB2  PRO 594           HB2      PRO 594  62.453   1.132   4.138
  423    HB3  PRO 594           HB1      PRO 594  60.885   0.350   4.363
  424    HG2  PRO 594           HG2      PRO 594  61.634   3.212   4.707
  425    HG3  PRO 594           HG1      PRO 594  60.116   2.508   4.149
  426    HD2  PRO 594           HD2      PRO 594  60.520   3.533   6.703
  427    HD3  PRO 594           HD1      PRO 594  59.272   2.330   6.291
  428    H    TYR 595           HN       TYR 595  63.921  -0.870   5.810
  429    HA   TYR 595           HA       TYR 595  66.056   1.123   5.949
  430    HB2  TYR 595           HB2      TYR 595  65.694  -0.963   8.131
  431    HB3  TYR 595           HB1      TYR 595  67.211  -0.119   7.841
  432    HD1  TYR 595           HD1      TYR 595  67.279   2.403   8.026
  433    HD2  TYR 595           HD2      TYR 595  63.909   0.077   9.309
  434    HE1  TYR 595           HE1      TYR 595  66.461   4.324   9.367
  435    HE2  TYR 595           HE2      TYR 595  63.094   1.996  10.643
  436    HH   TYR 595           HH       TYR 595  64.302   5.135  10.279
  437    H    CYS 596           HN       CYS 596  67.526   0.380   4.434
  438    HA   CYS 596           HA       CYS 596  67.273  -2.069   3.071
  439    HB2  CYS 596           HB2      CYS 596  70.061  -1.111   3.420
  440    HB3  CYS 596           HB1      CYS 596  69.175  -1.467   1.940
  441    H    GLN 597           HN       GLN 597  68.155  -4.125   3.397
  442    HA   GLN 597           HA       GLN 597  68.477  -5.096   6.005
  443    HB2  GLN 597           HB2      GLN 597  68.326  -6.900   4.613
  444    HB3  GLN 597           HB1      GLN 597  69.078  -6.029   3.282
  445    HG2  GLN 597           HG2      GLN 597  70.494  -7.911   3.951
  446    HG3  GLN 597           HG1      GLN 597  71.305  -6.392   4.317
  447   HE21  GLN 597          HE21      GLN 597  68.682  -7.059   6.461
  448   HE22  GLN 597          HE22      GLN 597  69.604  -7.641   7.761
  449    H    ASN 598           HN       ASN 598  70.863  -3.713   3.808
  450    HA   ASN 598           HA       ASN 598  73.175  -4.207   5.452
  451    HB2  ASN 598           HB2      ASN 598  73.401  -3.601   3.081
  452    HB3  ASN 598           HB1      ASN 598  72.642  -2.040   3.391
  453   HD21  ASN 598          HD21      ASN 598  75.507  -4.002   4.336
  454   HD22  ASN 598          HD22      ASN 598  76.503  -2.667   4.659
  455    H    CYS 599           HN       CYS 599  70.809  -1.583   5.222
  456    HA   CYS 599           HA       CYS 599  72.090   0.155   7.148
  457    HB2  CYS 599           HB2      CYS 599  69.387  -0.019   5.871
  458    HB3  CYS 599           HB1      CYS 599  69.514   0.893   7.371
  459    H    PHE 600           HN       PHE 600  69.177  -1.928   7.433
  460    HA   PHE 600           HA       PHE 600  68.839  -1.856  10.222
  461    HB2  PHE 600           HB2      PHE 600  67.225  -3.031   8.896
  462    HB3  PHE 600           HB1      PHE 600  68.452  -4.077   8.195
  463    HD1  PHE 600           HD1      PHE 600  66.250  -3.504  11.053
  464    HD2  PHE 600           HD2      PHE 600  69.522  -5.861   9.568
  465    HE1  PHE 600           HE1      PHE 600  65.860  -5.178  12.841
  466    HE2  PHE 600           HE2      PHE 600  69.133  -7.529  11.359
  467    HZ   PHE 600           HZ       PHE 600  67.301  -7.189  12.994
  468    H    LEU 601           HN       LEU 601  70.943  -3.938   8.282
  469    HA   LEU 601           HA       LEU 601  72.137  -5.426  10.400
  470    HB2  LEU 601           HB2      LEU 601  72.374  -6.046   8.047
  471    HB3  LEU 601           HB1      LEU 601  73.213  -4.540   7.705
  472    HG   LEU 601           HG       LEU 601  74.937  -5.312   9.465
  473   HD11  LEU 601          HD11      LEU 601  73.517  -7.929   8.876
  474   HD12  LEU 601          HD12      LEU 601  73.571  -7.112  10.438
  475   HD13  LEU 601          HD13      LEU 601  75.048  -7.776   9.740
  476   HD21  LEU 601          HD21      LEU 601  74.497  -6.579   6.761
  477   HD22  LEU 601          HD22      LEU 601  75.940  -6.934   7.714
  478   HD23  LEU 601          HD23      LEU 601  75.608  -5.280   7.197
  479    H    LYS 602           HN       LYS 602  72.566  -2.195   9.223
  480    HA   LYS 602           HA       LYS 602  75.062  -1.712  10.713
  481    HB2  LYS 602           HB2      LYS 602  73.973  -0.642   8.417
  482    HB3  LYS 602           HB1      LYS 602  73.589   0.591   9.610
  483    HG2  LYS 602           HG2      LYS 602  75.723   1.197   8.797
  484    HG3  LYS 602           HG1      LYS 602  76.043   0.411  10.343
  485    HD2  LYS 602           HD2      LYS 602  77.613  -0.553   8.839
  486    HD3  LYS 602           HD1      LYS 602  76.337  -1.760   8.992
  487    HE2  LYS 602           HE2      LYS 602  75.468  -1.306   6.868
  488    HE3  LYS 602           HE1      LYS 602  76.173   0.310   6.816
  489    HZ1  LYS 602           HZ1      LYS 602  77.445  -1.058   5.389
  490    HZ2  LYS 602           HZ2      LYS 602  77.583  -2.285   6.556
  491    HZ3  LYS 602           HZ3      LYS 602  78.389  -0.805   6.776
  492    H    LEU 603           HN       LEU 603  71.619  -0.859  10.884
  493    HA   LEU 603           HA       LEU 603  72.021   0.817  13.257
  494    HB2  LEU 603           HB2      LEU 603  69.324  -0.155  12.359
  495    HB3  LEU 603           HB1      LEU 603  69.767   1.392  13.064
  496    HG   LEU 603           HG       LEU 603  70.357   0.446  10.255
  497   HD11  LEU 603          HD11      LEU 603  68.680   2.711  11.360
  498   HD12  LEU 603          HD12      LEU 603  68.071   1.240  10.600
  499   HD13  LEU 603          HD13      LEU 603  68.977   2.416   9.647
  500   HD21  LEU 603          HD21      LEU 603  72.285   1.705  10.980
  501   HD22  LEU 603          HD22      LEU 603  71.264   2.927  11.738
  502   HD23  LEU 603          HD23      LEU 603  71.306   2.778   9.981
  503    H    PHE 604           HN       PHE 604  70.192  -2.171  12.575
  504    HA   PHE 604           HA       PHE 604  69.757  -2.746  15.374
  505    HB2  PHE 604           HB2      PHE 604  68.453  -3.552  13.238
  506    HB3  PHE 604           HB1      PHE 604  69.639  -4.857  13.241
  507    HD1  PHE 604           HD1      PHE 604  69.431  -6.682  14.734
  508    HD2  PHE 604           HD2      PHE 604  67.130  -3.114  15.391
  509    HE1  PHE 604           HE1      PHE 604  68.162  -7.830  16.528
  510    HE2  PHE 604           HE2      PHE 604  65.861  -4.263  17.185
  511    HZ   PHE 604           HZ       PHE 604  66.376  -6.621  17.754
  512    H    CYS 605           HN       CYS 605  72.377  -3.323  13.191
  513    HA   CYS 605           HA       CYS 605  73.774  -4.821  15.343
  514    HB2  CYS 605           HB2      CYS 605  72.658  -6.350  13.512
  515    HB3  CYS 605           HB1      CYS 605  74.023  -5.833  12.523
  516    HG   CYS 605           HG       CYS 605  75.527  -6.704  14.671
  Start of MODEL   19
    1    H    TYR 541           HT1      TYR 541  46.711  -5.853 -17.368
    2    HA   TYR 541           HA       TYR 541  46.011  -3.928 -18.412
    3    HB2  TYR 541           HB2      TYR 541  43.710  -5.020 -16.762
    4    HB3  TYR 541           HB1      TYR 541  43.507  -3.931 -18.133
    5    HD1  TYR 541           HD1      TYR 541  44.239  -7.346 -17.079
    6    HD2  TYR 541           HD2      TYR 541  44.207  -4.649 -20.423
    7    HE1  TYR 541           HE1      TYR 541  44.372  -9.272 -18.635
    8    HE2  TYR 541           HE2      TYR 541  44.340  -6.576 -21.978
    9    HH   TYR 541           HH       TYR 541  43.554  -9.296 -21.601
   10    H    HIS 542           HN       HIS 542  44.261  -1.990 -18.004
   11    HA   HIS 542           HA       HIS 542  45.554  -0.221 -16.125
   12    HB2  HIS 542           HB2      HIS 542  42.893   0.113 -17.545
   13    HB3  HIS 542           HB1      HIS 542  43.846   1.395 -16.804
   14    HD1  HIS 542           HD1      HIS 542  45.950   2.209 -18.053
   15    HD2  HIS 542           HD2      HIS 542  43.967  -0.895 -20.005
   16    HE1  HIS 542           HE1      HIS 542  46.967   2.053 -20.368
   17    H    GLU 543           HN       GLU 543  44.251   0.969 -14.414
   18    HA   GLU 543           HA       GLU 543  42.226  -0.797 -13.106
   19    HB2  GLU 543           HB2      GLU 543  44.437   0.647 -11.615
   20    HB3  GLU 543           HB1      GLU 543  43.271  -0.496 -10.950
   21    HG2  GLU 543           HG2      GLU 543  44.229  -2.300 -12.318
   22    HG3  GLU 543           HG1      GLU 543  45.372  -1.164 -13.037
   23    H    ARG 544           HN       ARG 544  40.903   0.428 -11.495
   24    HA   ARG 544           HA       ARG 544  40.001   2.938 -12.559
   25    HB2  ARG 544           HB2      ARG 544  39.387   1.259 -10.183
   26    HB3  ARG 544           HB1      ARG 544  38.977   2.969 -10.054
   27    HG2  ARG 544           HG2      ARG 544  38.218   1.446 -12.533
   28    HG3  ARG 544           HG1      ARG 544  37.232   1.296 -11.082
   29    HD2  ARG 544           HD2      ARG 544  36.181   3.152 -11.878
   30    HD3  ARG 544           HD1      ARG 544  37.566   4.008 -11.201
   31    HE   ARG 544           HE       ARG 544  38.403   3.284 -13.747
   32   HH11  ARG 544          HH11      ARG 544  38.106   4.600 -15.551
   33   HH12  ARG 544          HH12      ARG 544  36.832   5.773 -15.555
   34   HH21  ARG 544          HH21      ARG 544  35.715   4.966 -12.378
   35   HH22  ARG 544          HH22      ARG 544  35.481   5.980 -13.762
   36    H    ARG 545           HN       ARG 545  41.891   2.128  -9.644
   37    HA   ARG 545           HA       ARG 545  42.919   4.936  -9.642
   38    HB2  ARG 545           HB2      ARG 545  42.651   3.309  -7.127
   39    HB3  ARG 545           HB1      ARG 545  42.760   5.060  -7.307
   40    HG2  ARG 545           HG2      ARG 545  40.525   4.883  -8.575
   41    HG3  ARG 545           HG1      ARG 545  40.408   3.264  -7.889
   42    HD2  ARG 545           HD2      ARG 545  40.822   4.333  -5.620
   43    HD3  ARG 545           HD1      ARG 545  40.593   5.890  -6.404
   44    HE   ARG 545           HE       ARG 545  38.514   4.171  -5.499
   45   HH11  ARG 545          HH11      ARG 545  36.437   4.161  -6.332
   46   HH12  ARG 545          HH12      ARG 545  36.116   4.932  -7.849
   47   HH21  ARG 545          HH21      ARG 545  39.381   5.963  -8.327
   48   HH22  ARG 545          HH22      ARG 545  37.778   5.941  -8.977
   49    H    GLY 546           HN       GLY 546  43.594   1.794  -8.087
   50    HA2  GLY 546           HA2      GLY 546  45.608   0.500  -8.676
   51    HA3  GLY 546           HA1      GLY 546  46.411   2.027  -9.036
   52    H    SER 547           HN       SER 547  47.535   3.018  -7.418
   53    HA   SER 547           HA       SER 547  46.905   2.762  -4.616
   54    HB2  SER 547           HB2      SER 547  48.631   0.729  -5.805
   55    HB3  SER 547           HB1      SER 547  49.455   1.615  -4.527
   56    HG   SER 547           HG       SER 547  46.886   0.407  -4.345
   57    H    LEU 548           HN       LEU 548  47.561   4.732  -3.891
   58    HA   LEU 548           HA       LEU 548  49.439   6.346  -5.375
   59    HB2  LEU 548           HB2      LEU 548  47.952   6.647  -2.791
   60    HB3  LEU 548           HB1      LEU 548  49.293   7.734  -3.130
   61    HG   LEU 548           HG       LEU 548  48.261   8.448  -5.214
   62   HD11  LEU 548          HD11      LEU 548  45.881   7.611  -5.672
   63   HD12  LEU 548          HD12      LEU 548  46.242   6.303  -4.546
   64   HD13  LEU 548          HD13      LEU 548  47.193   6.487  -6.020
   65   HD21  LEU 548          HD21      LEU 548  46.169   8.422  -3.018
   66   HD22  LEU 548          HD22      LEU 548  46.321   9.605  -4.316
   67   HD23  LEU 548          HD23      LEU 548  47.550   9.518  -3.055
   68    H    CYS 549           HN       CYS 549  51.594   6.700  -5.002
   69    HA   CYS 549           HA       CYS 549  53.009   4.809  -3.272
   70    HB2  CYS 549           HB2      CYS 549  54.328   5.170  -5.121
   71    HB3  CYS 549           HB1      CYS 549  53.726   6.805  -5.362
   72    H    SER 550           HN       SER 550  53.004   5.271  -1.115
   73    HA   SER 550           HA       SER 550  52.417   7.755   0.047
   74    HB2  SER 550           HB2      SER 550  54.328   5.679   1.156
   75    HB3  SER 550           HB1      SER 550  53.512   6.932   2.082
   76    HG   SER 550           HG       SER 550  52.485   4.622   0.856
   77    H    GLY 551           HN       GLY 551  53.416   9.592  -0.396
   78    HA2  GLY 551           HA2      GLY 551  55.572  10.877   0.096
   79    HA3  GLY 551           HA1      GLY 551  56.377   9.601  -0.831
   80    H    CYS 552           HN       CYS 552  54.187   9.287  -2.705
   81    HA   CYS 552           HA       CYS 552  54.630  11.727  -4.375
   82    HB2  CYS 552           HB2      CYS 552  54.176   8.823  -4.967
   83    HB3  CYS 552           HB1      CYS 552  53.644  10.019  -6.147
   84    H    GLN 553           HN       GLN 553  52.220   9.649  -2.907
   85    HA   GLN 553           HA       GLN 553  49.900   9.840  -2.726
   86    HB2  GLN 553           HB2      GLN 553  50.772  12.699  -3.136
   87    HB3  GLN 553           HB1      GLN 553  49.061  12.294  -3.020
   88    HG2  GLN 553           HG2      GLN 553  50.210  12.917  -0.823
   89    HG3  GLN 553           HG1      GLN 553  49.319  11.401  -0.822
   90   HE21  GLN 553          HE21      GLN 553  52.483  12.818  -0.508
   91   HE22  GLN 553          HE22      GLN 553  53.330  11.376  -0.233
   92    H    LYS 554           HN       LYS 554  51.178   9.195  -5.268
   93    HA   LYS 554           HA       LYS 554  48.904   9.844  -7.082
   94    HB2  LYS 554           HB2      LYS 554  51.867   9.922  -7.748
   95    HB3  LYS 554           HB1      LYS 554  50.598   9.899  -8.971
   96    HG2  LYS 554           HG2      LYS 554  50.825  11.994  -6.789
   97    HG3  LYS 554           HG1      LYS 554  51.408  12.210  -8.439
   98    HD2  LYS 554           HD2      LYS 554  48.978  11.533  -9.124
   99    HD3  LYS 554           HD1      LYS 554  48.576  11.948  -7.458
  100    HE2  LYS 554           HE2      LYS 554  49.550  14.193  -7.777
  101    HE3  LYS 554           HE1      LYS 554  49.955  13.781  -9.444
  102    HZ1  LYS 554           HZ1      LYS 554  47.244  13.961  -8.251
  103    HZ2  LYS 554           HZ2      LYS 554  47.555  13.345  -9.804
  104    HZ3  LYS 554           HZ3      LYS 554  47.907  14.969  -9.444
  105    HA   PRO 555           HA       PRO 555  48.521   5.465  -7.433
  106    HB2  PRO 555           HB2      PRO 555  48.426   5.817 -10.359
  107    HB3  PRO 555           HB1      PRO 555  47.229   5.114  -9.264
  108    HG2  PRO 555           HG2      PRO 555  47.052   7.630 -10.437
  109    HG3  PRO 555           HG1      PRO 555  46.134   7.101  -9.026
  110    HD2  PRO 555           HD2      PRO 555  48.265   9.085  -9.157
  111    HD3  PRO 555           HD1      PRO 555  47.237   8.653  -7.767
  112    H    ILE 556           HN       ILE 556  49.680   3.626  -8.049
  113    HA   ILE 556           HA       ILE 556  52.430   4.163  -9.070
  114    HB   ILE 556           HB       ILE 556  51.284   1.997  -7.288
  115   HG12  ILE 556          HG12      ILE 556  53.564   3.865  -6.659
  116   HG13  ILE 556          HG11      ILE 556  51.900   4.416  -6.483
  117   HG21  ILE 556          HG21      ILE 556  54.046   2.291  -8.507
  118   HG22  ILE 556          HG22      ILE 556  52.938   0.933  -8.687
  119   HG23  ILE 556          HG23      ILE 556  53.701   1.246  -7.130
  120   HD11  ILE 556          HD11      ILE 556  52.257   1.781  -5.304
  121   HD12  ILE 556          HD12      ILE 556  51.642   3.260  -4.566
  122   HD13  ILE 556          HD13      ILE 556  53.376   2.950  -4.605
  123    H    THR 557           HN       THR 557  52.131   3.900 -11.290
  124    HA   THR 557           HA       THR 557  50.580   1.661 -12.356
  125    HB   THR 557           HB       THR 557  51.446   2.514 -14.564
  126    HG1  THR 557           HG1      THR 557  53.407   3.356 -13.612
  127   HG21  THR 557          HG21      THR 557  50.402   4.908 -14.137
  128   HG22  THR 557          HG22      THR 557  49.998   4.218 -12.564
  129   HG23  THR 557          HG23      THR 557  49.393   3.465 -14.040
  130    H    GLY 558           HN       GLY 558  51.431  -0.338 -12.204
  131    HA2  GLY 558           HA2      GLY 558  53.095  -1.873 -13.285
  132    HA3  GLY 558           HA1      GLY 558  54.339  -0.716 -12.801
  133    H    ARG 559           HN       ARG 559  55.435  -2.286 -11.462
  134    HA   ARG 559           HA       ARG 559  54.167  -3.849  -9.457
  135    HB2  ARG 559           HB2      ARG 559  56.953  -2.786  -9.840
  136    HB3  ARG 559           HB1      ARG 559  56.523  -3.654  -8.368
  137    HG2  ARG 559           HG2      ARG 559  57.287  -5.346  -9.799
  138    HG3  ARG 559           HG1      ARG 559  55.543  -5.451  -9.946
  139    HD2  ARG 559           HD2      ARG 559  55.640  -4.969 -12.135
  140    HD3  ARG 559           HD1      ARG 559  56.579  -3.517 -11.814
  141    HE   ARG 559           HE       ARG 559  57.604  -5.866 -12.995
  142   HH11  ARG 559          HH11      ARG 559  59.758  -6.473 -12.925
  143   HH12  ARG 559          HH12      ARG 559  60.803  -5.793 -11.725
  144   HH21  ARG 559          HH21      ARG 559  58.342  -3.828 -10.298
  145   HH22  ARG 559          HH22      ARG 559  60.004  -4.303 -10.242
  146    H    CYS 560           HN       CYS 560  54.630  -3.412  -7.030
  147    HA   CYS 560           HA       CYS 560  54.777  -0.614  -6.227
  148    HB2  CYS 560           HB2      CYS 560  52.519  -0.412  -5.351
  149    HB3  CYS 560           HB1      CYS 560  52.429  -0.796  -7.069
  150    HG   CYS 560           HG       CYS 560  52.331  -3.404  -5.729
  151    H    ILE 561           HN       ILE 561  55.443  -0.478  -4.154
  152    HA   ILE 561           HA       ILE 561  55.766  -3.007  -2.651
  153    HB   ILE 561           HB       ILE 561  56.691  -0.313  -1.679
  154   HG12  ILE 561          HG12      ILE 561  57.341  -0.486  -4.086
  155   HG13  ILE 561          HG11      ILE 561  58.735  -0.532  -3.014
  156   HG21  ILE 561          HG21      ILE 561  58.674  -1.980  -1.109
  157   HG22  ILE 561          HG22      ILE 561  57.410  -3.193  -1.305
  158   HG23  ILE 561          HG23      ILE 561  57.228  -1.916  -0.101
  159   HD11  ILE 561          HD11      ILE 561  57.383  -2.954  -4.242
  160   HD12  ILE 561          HD12      ILE 561  58.782  -2.996  -3.169
  161   HD13  ILE 561          HD13      ILE 561  58.917  -2.258  -4.764
  162    H    THR 562           HN       THR 562  54.963  -3.254  -0.502
  163    HA   THR 562           HA       THR 562  52.884  -1.267   0.320
  164    HB   THR 562           HB       THR 562  52.687  -4.291   0.465
  165    HG1  THR 562           HG1      THR 562  52.301  -3.229  -1.590
  166   HG21  THR 562          HG21      THR 562  51.525  -3.600   2.358
  167   HG22  THR 562          HG22      THR 562  50.253  -3.532   1.139
  168   HG23  THR 562          HG23      THR 562  51.073  -2.053   1.641
  169    H    ALA 563           HN       ALA 563  53.861  -0.341   2.058
  170    HA   ALA 563           HA       ALA 563  55.462  -1.996   3.910
  171    HB1  ALA 563           HB1      ALA 563  56.130   0.100   4.910
  172    HB2  ALA 563           HB2      ALA 563  54.839   0.964   4.074
  173    HB3  ALA 563           HB3      ALA 563  56.193   0.302   3.159
  174    H    MET 564           HN       MET 564  54.364   0.269   5.899
  175    HA   MET 564           HA       MET 564  52.538  -1.518   7.278
  176    HB2  MET 564           HB2      MET 564  53.184   1.412   7.706
  177    HB3  MET 564           HB1      MET 564  52.233   0.427   8.815
  178    HG2  MET 564           HG2      MET 564  54.171  -1.117   9.064
  179    HG3  MET 564           HG1      MET 564  55.122  -0.056   8.024
  180    HE1  MET 564           HE1      MET 564  56.738  -0.276  10.581
  181    HE2  MET 564           HE2      MET 564  55.313  -1.236  10.972
  182    HE3  MET 564           HE3      MET 564  55.842   0.031  12.075
  183    H    ALA 565           HN       ALA 565  51.360  -1.498   5.010
  184    HA   ALA 565           HA       ALA 565  49.233  -1.159   4.050
  185    HB1  ALA 565           HB1      ALA 565  48.589   1.153   5.832
  186    HB2  ALA 565           HB2      ALA 565  48.684  -0.442   6.579
  187    HB3  ALA 565           HB3      ALA 565  47.546  -0.150   5.264
  188    H    LYS 566           HN       LYS 566  51.705   1.079   4.514
  189    HA   LYS 566           HA       LYS 566  50.612   3.124   2.686
  190    HB2  LYS 566           HB2      LYS 566  52.942   2.870   4.505
  191    HB3  LYS 566           HB1      LYS 566  53.229   3.799   3.035
  192    HG2  LYS 566           HG2      LYS 566  51.229   5.185   3.541
  193    HG3  LYS 566           HG1      LYS 566  51.004   4.283   5.040
  194    HD2  LYS 566           HD2      LYS 566  53.628   5.641   4.430
  195    HD3  LYS 566           HD1      LYS 566  52.294   6.532   5.162
  196    HE2  LYS 566           HE2      LYS 566  52.409   5.360   7.145
  197    HE3  LYS 566           HE1      LYS 566  53.007   3.894   6.367
  198    HZ1  LYS 566           HZ1      LYS 566  55.093   5.267   5.920
  199    HZ2  LYS 566           HZ2      LYS 566  54.836   4.721   7.508
  200    HZ3  LYS 566           HZ3      LYS 566  54.501   6.335   7.097
  201    H    LYS 567           HN       LYS 567  51.120   3.208   0.523
  202    HA   LYS 567           HA       LYS 567  52.768   0.994  -0.549
  203    HB2  LYS 567           HB2      LYS 567  50.744   2.885  -1.718
  204    HB3  LYS 567           HB1      LYS 567  51.860   2.020  -2.774
  205    HG2  LYS 567           HG2      LYS 567  49.702   0.802  -2.431
  206    HG3  LYS 567           HG1      LYS 567  51.109  -0.120  -1.896
  207    HD2  LYS 567           HD2      LYS 567  50.657   0.279   0.388
  208    HD3  LYS 567           HD1      LYS 567  49.592   1.640   0.028
  209    HE2  LYS 567           HE2      LYS 567  47.809   0.284  -0.537
  210    HE3  LYS 567           HE1      LYS 567  48.848  -1.040  -1.059
  211    HZ1  LYS 567           HZ1      LYS 567  47.608  -1.338   1.113
  212    HZ2  LYS 567           HZ2      LYS 567  48.688  -0.204   1.773
  213    HZ3  LYS 567           HZ3      LYS 567  49.271  -1.668   1.135
  214    H    PHE 568           HN       PHE 568  54.160   1.618  -2.490
  215    HA   PHE 568           HA       PHE 568  55.301   4.338  -2.453
  216    HB2  PHE 568           HB2      PHE 568  56.837   1.899  -1.500
  217    HB3  PHE 568           HB1      PHE 568  57.631   3.367  -2.053
  218    HD1  PHE 568           HD1      PHE 568  55.659   1.807   0.618
  219    HD2  PHE 568           HD2      PHE 568  57.437   5.467  -0.764
  220    HE1  PHE 568           HE1      PHE 568  55.405   2.786   2.882
  221    HE2  PHE 568           HE2      PHE 568  57.179   6.445   1.500
  222    HZ   PHE 568           HZ       PHE 568  56.164   5.105   3.323
  223    H    HIS 569           HN       HIS 569  56.188   4.762  -4.496
  224    HA   HIS 569           HA       HIS 569  55.805   2.927  -6.645
  225    HB2  HIS 569           HB2      HIS 569  57.566   5.357  -6.290
  226    HB3  HIS 569           HB1      HIS 569  57.709   4.370  -7.740
  227    HD2  HIS 569           HD2      HIS 569  54.960   4.053  -9.033
  228    HE1  HIS 569           HE1      HIS 569  53.861   7.923  -7.750
  229    HE2  HIS 569           HE2      HIS 569  53.273   6.014  -9.327
  230    HA   PRO 570           HA       PRO 570  58.928  -0.090  -5.656
  231    HB2  PRO 570           HB2      PRO 570  59.397  -0.257  -8.571
  232    HB3  PRO 570           HB1      PRO 570  58.888  -1.512  -7.436
  233    HG2  PRO 570           HG2      PRO 570  57.209  -0.322  -9.269
  234    HG3  PRO 570           HG1      PRO 570  56.672  -1.104  -7.782
  235    HD2  PRO 570           HD2      PRO 570  56.698   1.760  -8.455
  236    HD3  PRO 570           HD1      PRO 570  55.838   0.920  -7.139
  237    H    GLU 571           HN       GLU 571  59.493   2.854  -7.224
  238    HA   GLU 571           HA       GLU 571  62.456   2.511  -7.087
  239    HB2  GLU 571           HB2      GLU 571  62.622   4.278  -8.727
  240    HB3  GLU 571           HB1      GLU 571  61.455   3.097  -9.325
  241    HG2  GLU 571           HG2      GLU 571  59.793   4.705  -7.916
  242    HG3  GLU 571           HG1      GLU 571  61.020   5.875  -8.386
  243    H    HIS 572           HN       HIS 572  59.740   4.058  -5.661
  244    HA   HIS 572           HA       HIS 572  61.445   6.197  -4.473
  245    HB2  HIS 572           HB2      HIS 572  58.432   5.818  -4.468
  246    HB3  HIS 572           HB1      HIS 572  59.272   7.133  -3.646
  247    HD2  HIS 572           HD2      HIS 572  61.472   7.241  -6.398
  248    HE1  HIS 572           HE1      HIS 572  58.039   8.903  -8.195
  249    HE2  HIS 572           HE2      HIS 572  60.552   8.602  -8.410
  250    H    PHE 573           HN       PHE 573  60.197   3.118  -3.788
  251    HA   PHE 573           HA       PHE 573  59.945   3.434  -0.901
  252    HB2  PHE 573           HB2      PHE 573  58.795   1.605  -2.162
  253    HB3  PHE 573           HB1      PHE 573  60.370   0.925  -2.557
  254    HD1  PHE 573           HD1      PHE 573  58.683   2.265   0.530
  255    HD2  PHE 573           HD2      PHE 573  60.987  -0.894  -1.247
  256    HE1  PHE 573           HE1      PHE 573  58.714   1.066   2.700
  257    HE2  PHE 573           HE2      PHE 573  61.019  -2.092   0.923
  258    HZ   PHE 573           HZ       PHE 573  59.881  -1.112   2.896
  259    H    VAL 574           HN       VAL 574  61.935   4.454  -0.365
  260    HA   VAL 574           HA       VAL 574  64.387   2.824  -0.828
  261    HB   VAL 574           HB       VAL 574  65.638   4.892  -0.351
  262   HG11  VAL 574          HG11      VAL 574  65.346   5.688  -2.473
  263   HG12  VAL 574          HG12      VAL 574  63.607   5.895  -2.265
  264   HG13  VAL 574          HG13      VAL 574  64.268   4.302  -2.630
  265   HG21  VAL 574          HG21      VAL 574  62.862   6.072   0.013
  266   HG22  VAL 574          HG22      VAL 574  64.340   7.026  -0.115
  267   HG23  VAL 574          HG23      VAL 574  64.113   5.931   1.249
  268    H    CYS 575           HN       CYS 575  66.043   3.130   1.017
  269    HA   CYS 575           HA       CYS 575  64.827   2.126   3.469
  270    HB2  CYS 575           HB2      CYS 575  66.928   1.182   2.820
  271    HB3  CYS 575           HB1      CYS 575  67.664   2.770   2.642
  272    H    ALA 576           HN       ALA 576  64.320   3.316   5.260
  273    HA   ALA 576           HA       ALA 576  64.574   6.210   5.209
  274    HB1  ALA 576           HB1      ALA 576  62.679   5.275   6.357
  275    HB2  ALA 576           HB2      ALA 576  63.703   6.010   7.589
  276    HB3  ALA 576           HB3      ALA 576  63.712   4.261   7.363
  277    H    PHE 577           HN       PHE 577  67.115   5.068   4.925
  278    HA   PHE 577           HA       PHE 577  68.498   6.195   7.287
  279    HB2  PHE 577           HB2      PHE 577  68.205   3.593   7.438
  280    HB3  PHE 577           HB1      PHE 577  69.437   3.553   6.180
  281    HD1  PHE 577           HD1      PHE 577  68.778   5.272   9.462
  282    HD2  PHE 577           HD2      PHE 577  71.663   3.450   6.849
  283    HE1  PHE 577           HE1      PHE 577  70.541   5.611  11.171
  284    HE2  PHE 577           HE2      PHE 577  73.425   3.791   8.560
  285    HZ   PHE 577           HZ       PHE 577  72.865   4.871  10.720
  286    H    CYS 578           HN       CYS 578  69.233   4.329   4.339
  287    HA   CYS 578           HA       CYS 578  71.302   6.344   3.626
  288    HB2  CYS 578           HB2      CYS 578  71.789   4.593   1.792
  289    HB3  CYS 578           HB1      CYS 578  72.168   4.141   3.452
  290    H    LEU 579           HN       LEU 579  68.123   5.311   2.831
  291    HA   LEU 579           HA       LEU 579  66.599   5.973   1.191
  292    HB2  LEU 579           HB2      LEU 579  68.414   8.404   1.113
  293    HB3  LEU 579           HB1      LEU 579  66.775   8.327   0.468
  294    HG   LEU 579           HG       LEU 579  66.415   7.398   3.035
  295   HD11  LEU 579          HD11      LEU 579  67.644   8.809   4.548
  296   HD12  LEU 579          HD12      LEU 579  68.358   9.715   3.214
  297   HD13  LEU 579          HD13      LEU 579  68.823   8.037   3.490
  298   HD21  LEU 579          HD21      LEU 579  66.278  10.250   2.004
  299   HD22  LEU 579          HD22      LEU 579  65.486   9.674   3.471
  300   HD23  LEU 579          HD23      LEU 579  65.000   9.040   1.899
  301    H    LYS 580           HN       LYS 580  69.264   4.632   0.376
  302    HA   LYS 580           HA       LYS 580  69.851   5.644  -2.279
  303    HB2  LYS 580           HB2      LYS 580  71.134   3.554  -2.550
  304    HB3  LYS 580           HB1      LYS 580  71.486   4.301  -0.992
  305    HG2  LYS 580           HG2      LYS 580  69.593   2.776  -0.071
  306    HG3  LYS 580           HG1      LYS 580  69.799   1.868  -1.568
  307    HD2  LYS 580           HD2      LYS 580  72.404   2.338  -0.551
  308    HD3  LYS 580           HD1      LYS 580  71.418   1.805   0.810
  309    HE2  LYS 580           HE2      LYS 580  72.342  -0.162  -0.259
  310    HE3  LYS 580           HE1      LYS 580  70.614  -0.109  -0.605
  311    HZ1  LYS 580           HZ1      LYS 580  70.994   0.138  -2.770
  312    HZ2  LYS 580           HZ2      LYS 580  72.599  -0.317  -2.449
  313    HZ3  LYS 580           HZ3      LYS 580  72.179   1.327  -2.527
  314    H    GLN 581           HN       GLN 581  68.108   2.757  -1.116
  315    HA   GLN 581           HA       GLN 581  65.928   2.961  -2.908
  316    HB2  GLN 581           HB2      GLN 581  68.229   2.135  -4.268
  317    HB3  GLN 581           HB1      GLN 581  67.384   0.632  -3.918
  318    HG2  GLN 581           HG2      GLN 581  65.498   2.643  -4.786
  319    HG3  GLN 581           HG1      GLN 581  66.794   2.482  -5.970
  320   HE21  GLN 581          HE21      GLN 581  64.115   0.801  -4.421
  321   HE22  GLN 581          HE22      GLN 581  64.131  -0.553  -5.442
  322    H    LEU 582           HN       LEU 582  64.561   0.957  -2.725
  323    HA   LEU 582           HA       LEU 582  65.507  -1.077  -0.843
  324    HB2  LEU 582           HB2      LEU 582  64.629   1.088   0.401
  325    HB3  LEU 582           HB1      LEU 582  63.051   0.387   0.054
  326    HG   LEU 582           HG       LEU 582  63.894  -1.763   1.063
  327   HD11  LEU 582          HD11      LEU 582  66.318  -0.160   1.183
  328   HD12  LEU 582          HD12      LEU 582  66.117  -1.897   1.402
  329   HD13  LEU 582          HD13      LEU 582  65.885  -0.804   2.764
  330   HD21  LEU 582          HD21      LEU 582  64.017  -0.559   3.467
  331   HD22  LEU 582          HD22      LEU 582  62.509  -0.704   2.564
  332   HD23  LEU 582          HD23      LEU 582  63.429   0.798   2.506
  333    H    ASN 583           HN       ASN 583  63.950  -2.810  -0.547
  334    HA   ASN 583           HA       ASN 583  61.599  -2.826  -2.342
  335    HB2  ASN 583           HB2      ASN 583  63.225  -3.669  -3.869
  336    HB3  ASN 583           HB1      ASN 583  64.004  -4.642  -2.621
  337   HD21  ASN 583          HD21      ASN 583  60.603  -4.307  -3.820
  338   HD22  ASN 583          HD22      ASN 583  60.345  -5.977  -3.972
  339    H    LYS 584           HN       LYS 584  59.967  -3.753  -1.223
  340    HA   LYS 584           HA       LYS 584  60.120  -4.764   1.382
  341    HB2  LYS 584           HB2      LYS 584  57.966  -4.209   0.582
  342    HB3  LYS 584           HB1      LYS 584  58.150  -5.201  -0.860
  343    HG2  LYS 584           HG2      LYS 584  56.642  -6.337   0.664
  344    HG3  LYS 584           HG1      LYS 584  58.153  -7.239   0.609
  345    HD2  LYS 584           HD2      LYS 584  57.446  -7.028   2.929
  346    HD3  LYS 584           HD1      LYS 584  58.887  -6.045   2.682
  347    HE2  LYS 584           HE2      LYS 584  57.726  -4.049   2.854
  348    HE3  LYS 584           HE1      LYS 584  56.222  -4.753   2.261
  349    HZ1  LYS 584           HZ1      LYS 584  55.590  -4.945   4.360
  350    HZ2  LYS 584           HZ2      LYS 584  57.108  -4.437   4.929
  351    HZ3  LYS 584           HZ3      LYS 584  56.825  -6.081   4.607
  352    H    GLY 585           HN       GLY 585  60.718  -6.408  -1.648
  353    HA2  GLY 585           HA2      GLY 585  60.496  -9.105  -0.838
  354    HA3  GLY 585           HA1      GLY 585  61.575  -8.535  -2.104
  355    H    THR 586           HN       THR 586  63.072  -6.776  -0.172
  356    HA   THR 586           HA       THR 586  64.291  -8.807   1.622
  357    HB   THR 586           HB       THR 586  66.552  -8.358   0.753
  358    HG1  THR 586           HG1      THR 586  65.208  -6.904  -1.276
  359   HG21  THR 586          HG21      THR 586  66.342  -9.557  -1.362
  360   HG22  THR 586          HG22      THR 586  64.635  -9.126  -1.470
  361   HG23  THR 586          HG23      THR 586  65.190 -10.219  -0.202
  362    H    PHE 587           HN       PHE 587  62.790  -6.298   2.122
  363    HA   PHE 587           HA       PHE 587  64.967  -4.582   3.220
  364    HB2  PHE 587           HB2      PHE 587  63.585  -2.784   3.007
  365    HB3  PHE 587           HB1      PHE 587  62.720  -3.803   1.874
  366    HD1  PHE 587           HD1      PHE 587  61.154  -5.645   3.301
  367    HD2  PHE 587           HD2      PHE 587  62.187  -1.641   4.469
  368    HE1  PHE 587           HE1      PHE 587  59.159  -5.556   4.771
  369    HE2  PHE 587           HE2      PHE 587  60.189  -1.554   5.933
  370    HZ   PHE 587           HZ       PHE 587  58.677  -3.511   6.086
  371    H    LYS 588           HN       LYS 588  64.159  -3.501   5.350
  372    HA   LYS 588           HA       LYS 588  62.834  -5.418   7.178
  373    HB2  LYS 588           HB2      LYS 588  65.659  -4.369   7.418
  374    HB3  LYS 588           HB1      LYS 588  64.741  -4.809   8.855
  375    HG2  LYS 588           HG2      LYS 588  65.116  -6.693   6.512
  376    HG3  LYS 588           HG1      LYS 588  66.218  -6.644   7.886
  377    HD2  LYS 588           HD2      LYS 588  64.829  -8.033   8.982
  378    HD3  LYS 588           HD1      LYS 588  63.635  -6.736   9.011
  379    HE2  LYS 588           HE2      LYS 588  62.652  -7.486   6.950
  380    HE3  LYS 588           HE1      LYS 588  63.968  -8.624   6.666
  381    HZ1  LYS 588           HZ1      LYS 588  61.861  -9.586   7.602
  382    HZ2  LYS 588           HZ2      LYS 588  62.214  -8.767   9.048
  383    HZ3  LYS 588           HZ3      LYS 588  63.278  -9.954   8.459
  384    H    GLU 589           HN       GLU 589  62.361  -4.185   9.316
  385    HA   GLU 589           HA       GLU 589  62.270  -1.252   8.837
  386    HB2  GLU 589           HB2      GLU 589  59.982  -1.067   9.172
  387    HB3  GLU 589           HB1      GLU 589  60.068  -2.599   8.305
  388    HG2  GLU 589           HG2      GLU 589  60.302  -3.616  10.727
  389    HG3  GLU 589           HG1      GLU 589  59.556  -2.095  11.221
  390    H    GLN 590           HN       GLN 590  62.254   0.011  10.701
  391    HA   GLN 590           HA       GLN 590  62.304  -1.269  13.350
  392    HB2  GLN 590           HB2      GLN 590  64.674  -1.348  12.353
  393    HB3  GLN 590           HB1      GLN 590  64.659   0.409  12.459
  394    HG2  GLN 590           HG2      GLN 590  65.677  -0.339  14.477
  395    HG3  GLN 590           HG1      GLN 590  64.036   0.124  14.921
  396   HE21  GLN 590          HE21      GLN 590  65.022  -2.875  13.230
  397   HE22  GLN 590          HE22      GLN 590  64.490  -3.926  14.452
  398    H    ASN 591           HN       ASN 591  61.826   0.271  14.979
  399    HA   ASN 591           HA       ASN 591  60.867   2.239  15.807
  400    HB2  ASN 591           HB2      ASN 591  62.909   3.280  13.842
  401    HB3  ASN 591           HB1      ASN 591  61.918   4.366  14.809
  402   HD21  ASN 591          HD21      ASN 591  64.858   2.760  14.821
  403   HD22  ASN 591          HD22      ASN 591  65.138   2.726  16.495
  404    H    ASP 592           HN       ASP 592  59.749   0.923  13.243
  405    HA   ASP 592           HA       ASP 592  57.737   1.321  12.075
  406    HB2  ASP 592           HB2      ASP 592  57.483   3.130  14.040
  407    HB3  ASP 592           HB1      ASP 592  57.710   4.238  12.684
  408    H    LYS 593           HN       LYS 593  60.499   1.756  10.993
  409    HA   LYS 593           HA       LYS 593  59.624   3.238   8.585
  410    HB2  LYS 593           HB2      LYS 593  62.332   3.996   8.947
  411    HB3  LYS 593           HB1      LYS 593  60.909   5.031   8.973
  412    HG2  LYS 593           HG2      LYS 593  60.644   4.355  11.432
  413    HG3  LYS 593           HG1      LYS 593  62.278   3.705  11.312
  414    HD2  LYS 593           HD2      LYS 593  63.117   5.904  10.595
  415    HD3  LYS 593           HD1      LYS 593  61.483   6.563  10.685
  416    HE2  LYS 593           HE2      LYS 593  62.937   5.325  13.038
  417    HE3  LYS 593           HE1      LYS 593  62.881   7.057  12.715
  418    HZ1  LYS 593           HZ1      LYS 593  60.640   5.245  13.383
  419    HZ2  LYS 593           HZ2      LYS 593  60.379   6.766  12.671
  420    HZ3  LYS 593           HZ3      LYS 593  61.132   6.653  14.190
  421    HA   PRO 594           HA       PRO 594  61.667  -0.072   6.521
  422    HB2  PRO 594           HB2      PRO 594  62.548   1.220   4.265
  423    HB3  PRO 594           HB1      PRO 594  60.873   0.735   4.548
  424    HG2  PRO 594           HG2      PRO 594  62.120   3.431   4.756
  425    HG3  PRO 594           HG1      PRO 594  60.488   2.984   4.253
  426    HD2  PRO 594           HD2      PRO 594  61.121   4.025   6.751
  427    HD3  PRO 594           HD1      PRO 594  59.679   3.034   6.418
  428    H    TYR 595           HN       TYR 595  63.663  -0.957   5.985
  429    HA   TYR 595           HA       TYR 595  66.134   0.602   5.995
  430    HB2  TYR 595           HB2      TYR 595  65.444  -1.275   8.284
  431    HB3  TYR 595           HB1      TYR 595  67.087  -0.759   7.922
  432    HD1  TYR 595           HD1      TYR 595  63.975   0.112   9.514
  433    HD2  TYR 595           HD2      TYR 595  67.609   1.739   7.912
  434    HE1  TYR 595           HE1      TYR 595  63.593   2.211  10.771
  435    HE2  TYR 595           HE2      TYR 595  67.223   3.840   9.175
  436    HH   TYR 595           HH       TYR 595  65.272   5.064  10.144
  437    H    CYS 596           HN       CYS 596  67.402  -0.479   4.489
  438    HA   CYS 596           HA       CYS 596  66.643  -2.906   3.272
  439    HB2  CYS 596           HB2      CYS 596  69.571  -2.413   3.508
  440    HB3  CYS 596           HB1      CYS 596  68.607  -2.773   2.079
  441    H    GLN 597           HN       GLN 597  67.187  -5.070   3.674
  442    HA   GLN 597           HA       GLN 597  67.408  -5.953   6.327
  443    HB2  GLN 597           HB2      GLN 597  66.898  -7.765   5.035
  444    HB3  GLN 597           HB1      GLN 597  67.753  -7.107   3.645
  445    HG2  GLN 597           HG2      GLN 597  68.833  -9.178   4.387
  446    HG3  GLN 597           HG1      GLN 597  69.910  -7.811   4.650
  447   HE21  GLN 597          HE21      GLN 597  67.279  -7.888   6.885
  448   HE22  GLN 597          HE22      GLN 597  68.123  -8.559   8.195
  449    H    ASN 598           HN       ASN 598  69.930  -5.126   4.005
  450    HA   ASN 598           HA       ASN 598  72.169  -5.940   5.622
  451    HB2  ASN 598           HB2      ASN 598  72.425  -5.496   3.218
  452    HB3  ASN 598           HB1      ASN 598  71.961  -3.813   3.463
  453   HD21  ASN 598          HD21      ASN 598  74.471  -6.202   4.425
  454   HD22  ASN 598          HD22      ASN 598  75.693  -5.048   4.666
  455    H    CYS 599           HN       CYS 599  70.296  -2.951   5.311
  456    HA   CYS 599           HA       CYS 599  71.926  -1.385   7.116
  457    HB2  CYS 599           HB2      CYS 599  69.154  -1.136   5.976
  458    HB3  CYS 599           HB1      CYS 599  69.599  -0.129   7.349
  459    H    PHE 600           HN       PHE 600  68.697  -2.895   7.569
  460    HA   PHE 600           HA       PHE 600  68.460  -2.628  10.356
  461    HB2  PHE 600           HB2      PHE 600  66.626  -3.559   9.125
  462    HB3  PHE 600           HB1      PHE 600  67.627  -4.843   8.461
  463    HD1  PHE 600           HD1      PHE 600  65.646  -3.736  11.324
  464    HD2  PHE 600           HD2      PHE 600  68.397  -6.718   9.909
  465    HE1  PHE 600           HE1      PHE 600  65.014  -5.218  13.209
  466    HE2  PHE 600           HE2      PHE 600  67.767  -8.195  11.797
  467    HZ   PHE 600           HZ       PHE 600  66.074  -7.446  13.446
  468    H    LEU 601           HN       LEU 601  70.107  -5.141   8.486
  469    HA   LEU 601           HA       LEU 601  71.079  -6.715  10.655
  470    HB2  LEU 601           HB2      LEU 601  71.130  -7.479   8.331
  471    HB3  LEU 601           HB1      LEU 601  72.217  -6.167   7.896
  472    HG   LEU 601           HG       LEU 601  73.821  -7.155   9.664
  473   HD11  LEU 601          HD11      LEU 601  73.496  -9.586  10.054
  474   HD12  LEU 601          HD12      LEU 601  71.940  -9.497   9.228
  475   HD13  LEU 601          HD13      LEU 601  72.182  -8.635  10.747
  476   HD21  LEU 601          HD21      LEU 601  73.091  -8.433   7.030
  477   HD22  LEU 601          HD22      LEU 601  74.465  -9.013   7.974
  478   HD23  LEU 601          HD23      LEU 601  74.435  -7.349   7.391
  479    H    LYS 602           HN       LYS 602  72.039  -3.674   9.299
  480    HA   LYS 602           HA       LYS 602  74.624  -3.575  10.712
  481    HB2  LYS 602           HB2      LYS 602  73.679  -2.443   8.383
  482    HB3  LYS 602           HB1      LYS 602  73.555  -1.103   9.514
  483    HG2  LYS 602           HG2      LYS 602  75.738  -0.933   8.627
  484    HG3  LYS 602           HG1      LYS 602  75.957  -1.679  10.209
  485    HD2  LYS 602           HD2      LYS 602  77.287  -2.990   8.737
  486    HD3  LYS 602           HD1      LYS 602  75.820  -3.937   8.978
  487    HE2  LYS 602           HE2      LYS 602  74.992  -3.445   6.847
  488    HE3  LYS 602           HE1      LYS 602  75.973  -1.988   6.693
  489    HZ1  LYS 602           HZ1      LYS 602  76.944  -3.634   5.325
  490    HZ2  LYS 602           HZ2      LYS 602  76.885  -4.806   6.554
  491    HZ3  LYS 602           HZ3      LYS 602  77.951  -3.489   6.682
  492    H    LEU 603           HN       LEU 603  71.394  -2.113  10.905
  493    HA   LEU 603           HA       LEU 603  72.156  -0.419  13.175
  494    HB2  LEU 603           HB2      LEU 603  69.306  -0.935  12.378
  495    HB3  LEU 603           HB1      LEU 603  70.034   0.539  12.997
  496    HG   LEU 603           HG       LEU 603  70.375  -0.626  10.229
  497   HD11  LEU 603          HD11      LEU 603  68.274   0.579  10.579
  498   HD12  LEU 603          HD12      LEU 603  69.346   1.522   9.543
  499   HD13  LEU 603          HD13      LEU 603  69.158   1.954  11.243
  500   HD21  LEU 603          HD21      LEU 603  72.512   0.299  10.831
  501   HD22  LEU 603          HD22      LEU 603  71.756   1.702  11.587
  502   HD23  LEU 603          HD23      LEU 603  71.702   1.506   9.834
  503    H    PHE 604           HN       PHE 604  69.796  -3.052  12.694
  504    HA   PHE 604           HA       PHE 604  69.352  -3.403  15.528
  505    HB2  PHE 604           HB2      PHE 604  67.857  -4.060  13.470
  506    HB3  PHE 604           HB1      PHE 604  68.790  -5.555  13.511
  507    HD1  PHE 604           HD1      PHE 604  68.310  -7.242  15.101
  508    HD2  PHE 604           HD2      PHE 604  66.701  -3.294  15.627
  509    HE1  PHE 604           HE1      PHE 604  66.914  -8.061  16.980
  510    HE2  PHE 604           HE2      PHE 604  65.306  -4.112  17.506
  511    HZ   PHE 604           HZ       PHE 604  65.412  -6.496  18.183
  512    H    CYS 605           HN       CYS 605  71.755  -4.554  13.323
  513    HA   CYS 605           HA       CYS 605  72.923  -6.177  15.522
  514    HB2  CYS 605           HB2      CYS 605  71.502  -7.561  13.790
  515    HB3  CYS 605           HB1      CYS 605  72.908  -7.342  12.751
  516    HG   CYS 605           HG       CYS 605  74.291  -8.371  14.911
  Start of MODEL   20
    1    H    TYR 541           HT1      TYR 541  40.132  -0.292 -20.175
    2    HA   TYR 541           HA       TYR 541  42.294  -0.888 -20.921
    3    HB2  TYR 541           HB2      TYR 541  44.003   0.914 -21.268
    4    HB3  TYR 541           HB1      TYR 541  42.696   0.964 -22.450
    5    HD1  TYR 541           HD1      TYR 541  44.340   2.702 -19.701
    6    HD2  TYR 541           HD2      TYR 541  40.849   2.644 -22.205
    7    HE1  TYR 541           HE1      TYR 541  43.817   5.030 -19.027
    8    HE2  TYR 541           HE2      TYR 541  40.327   4.972 -21.530
    9    HH   TYR 541           HH       TYR 541  42.032   7.030 -20.567
   10    H    HIS 542           HN       HIS 542  41.557   1.860 -18.793
   11    HA   HIS 542           HA       HIS 542  43.609   1.119 -16.852
   12    HB2  HIS 542           HB2      HIS 542  42.234   2.801 -15.406
   13    HB3  HIS 542           HB1      HIS 542  43.112   3.415 -16.805
   14    HD1  HIS 542           HD1      HIS 542  39.888   1.493 -17.143
   15    HD2  HIS 542           HD2      HIS 542  41.218   5.435 -17.409
   16    HE1  HIS 542           HE1      HIS 542  37.977   2.829 -18.132
   17    H    GLU 543           HN       GLU 543  42.923   0.678 -14.526
   18    HA   GLU 543           HA       GLU 543  40.437  -0.974 -14.391
   19    HB2  GLU 543           HB2      GLU 543  43.181  -1.774 -13.365
   20    HB3  GLU 543           HB1      GLU 543  41.691  -2.678 -13.091
   21    HG2  GLU 543           HG2      GLU 543  41.417  -2.844 -15.590
   22    HG3  GLU 543           HG1      GLU 543  43.017  -2.121 -15.760
   23    H    ARG 544           HN       ARG 544  41.623   1.730 -13.332
   24    HA   ARG 544           HA       ARG 544  41.429   3.002 -11.375
   25    HB2  ARG 544           HB2      ARG 544  39.285   0.936 -11.174
   26    HB3  ARG 544           HB1      ARG 544  39.661   1.843  -9.711
   27    HG2  ARG 544           HG2      ARG 544  39.494   3.546 -12.095
   28    HG3  ARG 544           HG1      ARG 544  37.987   2.702 -11.745
   29    HD2  ARG 544           HD2      ARG 544  37.968   3.566  -9.473
   30    HD3  ARG 544           HD1      ARG 544  39.557   4.297  -9.699
   31    HE   ARG 544           HE       ARG 544  38.008   5.423 -11.708
   32   HH11  ARG 544          HH11      ARG 544  36.857   7.339 -11.432
   33   HH12  ARG 544          HH12      ARG 544  36.377   7.828  -9.841
   34   HH21  ARG 544          HH21      ARG 544  37.790   5.079  -8.279
   35   HH22  ARG 544          HH22      ARG 544  36.904   6.550  -8.059
   36    H    ARG 545           HN       ARG 545  41.179   2.345  -8.710
   37    HA   ARG 545           HA       ARG 545  42.405   1.578  -6.881
   38    HB2  ARG 545           HB2      ARG 545  43.205  -0.771  -8.612
   39    HB3  ARG 545           HB1      ARG 545  43.040  -0.718  -6.860
   40    HG2  ARG 545           HG2      ARG 545  40.572  -0.103  -7.323
   41    HG3  ARG 545           HG1      ARG 545  40.877  -0.697  -8.956
   42    HD2  ARG 545           HD2      ARG 545  41.936  -2.739  -7.625
   43    HD3  ARG 545           HD1      ARG 545  40.840  -2.185  -6.370
   44    HE   ARG 545           HE       ARG 545  40.078  -3.753  -8.587
   45   HH11  ARG 545          HH11      ARG 545  38.033  -3.774  -9.496
   46   HH12  ARG 545          HH12      ARG 545  36.933  -2.478  -9.167
   47   HH21  ARG 545          HH21      ARG 545  39.126  -0.767  -7.118
   48   HH22  ARG 545          HH22      ARG 545  37.552  -0.781  -7.832
   49    H    GLY 546           HN       GLY 546  44.825  -0.246  -8.329
   50    HA2  GLY 546           HA2      GLY 546  46.975   0.328  -9.160
   51    HA3  GLY 546           HA1      GLY 546  46.497   2.025  -9.103
   52    H    SER 547           HN       SER 547  45.586   1.790  -6.287
   53    HA   SER 547           HA       SER 547  46.431   2.019  -4.121
   54    HB2  SER 547           HB2      SER 547  47.968  -0.128  -5.294
   55    HB3  SER 547           HB1      SER 547  48.992   0.842  -4.246
   56    HG   SER 547           HG       SER 547  46.434  -0.173  -3.546
   57    H    LEU 548           HN       LEU 548  47.130   4.006  -3.527
   58    HA   LEU 548           HA       LEU 548  48.945   5.544  -5.168
   59    HB2  LEU 548           HB2      LEU 548  47.564   5.964  -2.543
   60    HB3  LEU 548           HB1      LEU 548  48.908   7.018  -2.966
   61    HG   LEU 548           HG       LEU 548  47.810   7.664  -5.044
   62   HD11  LEU 548          HD11      LEU 548  46.667   5.690  -5.713
   63   HD12  LEU 548          HD12      LEU 548  45.398   6.864  -5.368
   64   HD13  LEU 548          HD13      LEU 548  45.772   5.601  -4.195
   65   HD21  LEU 548          HD21      LEU 548  45.831   7.779  -2.748
   66   HD22  LEU 548          HD22      LEU 548  45.921   8.892  -4.113
   67   HD23  LEU 548          HD23      LEU 548  47.219   8.853  -2.920
   68    H    CYS 549           HN       CYS 549  51.118   5.918  -4.888
   69    HA   CYS 549           HA       CYS 549  52.592   4.085  -3.144
   70    HB2  CYS 549           HB2      CYS 549  53.843   4.362  -5.053
   71    HB3  CYS 549           HB1      CYS 549  53.239   5.990  -5.339
   72    H    SER 550           HN       SER 550  52.637   4.642  -1.012
   73    HA   SER 550           HA       SER 550  52.116   7.173   0.068
   74    HB2  SER 550           HB2      SER 550  53.959   5.020   1.138
   75    HB3  SER 550           HB1      SER 550  53.418   6.410   2.071
   76    HG   SER 550           HG       SER 550  51.967   4.212   1.084
   77    H    GLY 551           HN       GLY 551  53.122   8.995  -0.413
   78    HA2  GLY 551           HA2      GLY 551  55.284  10.287  -0.075
   79    HA3  GLY 551           HA1      GLY 551  56.068   8.961  -0.951
   80    H    CYS 552           HN       CYS 552  53.809   8.571  -2.748
   81    HA   CYS 552           HA       CYS 552  54.239  10.911  -4.559
   82    HB2  CYS 552           HB2      CYS 552  53.806   7.983  -4.969
   83    HB3  CYS 552           HB1      CYS 552  53.148   9.081  -6.181
   84    H    GLN 553           HN       GLN 553  51.850   8.925  -2.935
   85    HA   GLN 553           HA       GLN 553  49.538   9.146  -2.702
   86    HB2  GLN 553           HB2      GLN 553  50.423  11.978  -3.254
   87    HB3  GLN 553           HB1      GLN 553  48.713  11.594  -3.072
   88    HG2  GLN 553           HG2      GLN 553  49.924  12.298  -0.936
   89    HG3  GLN 553           HG1      GLN 553  49.032  10.785  -0.847
   90   HE21  GLN 553          HE21      GLN 553  52.204  12.208  -0.683
   91   HE22  GLN 553          HE22      GLN 553  53.057  10.776  -0.373
   92    H    LYS 554           HN       LYS 554  50.728   8.366  -5.241
   93    HA   LYS 554           HA       LYS 554  48.427   9.003  -7.029
   94    HB2  LYS 554           HB2      LYS 554  51.373   8.939  -7.767
   95    HB3  LYS 554           HB1      LYS 554  50.071   8.911  -8.956
   96    HG2  LYS 554           HG2      LYS 554  50.404  11.087  -6.870
   97    HG3  LYS 554           HG1      LYS 554  51.003  11.210  -8.523
   98    HD2  LYS 554           HD2      LYS 554  48.536  10.581  -9.173
   99    HD3  LYS 554           HD1      LYS 554  48.165  11.136  -7.541
  100    HE2  LYS 554           HE2      LYS 554  47.919  13.058  -8.929
  101    HE3  LYS 554           HE1      LYS 554  49.474  13.260  -8.122
  102    HZ1  LYS 554           HZ1      LYS 554  49.479  13.676 -10.573
  103    HZ2  LYS 554           HZ2      LYS 554  49.185  12.018 -10.799
  104    HZ3  LYS 554           HZ3      LYS 554  50.616  12.535 -10.043
  105    HA   PRO 555           HA       PRO 555  47.916   4.619  -7.113
  106    HB2  PRO 555           HB2      PRO 555  47.586   4.820 -10.029
  107    HB3  PRO 555           HB1      PRO 555  46.459   4.239  -8.797
  108    HG2  PRO 555           HG2      PRO 555  46.296   6.690 -10.115
  109    HG3  PRO 555           HG1      PRO 555  45.454   6.274  -8.620
  110    HD2  PRO 555           HD2      PRO 555  47.640   8.163  -8.998
  111    HD3  PRO 555           HD1      PRO 555  46.694   7.844  -7.522
  112    H    ILE 556           HN       ILE 556  48.985   2.729  -7.735
  113    HA   ILE 556           HA       ILE 556  51.650   3.148  -9.005
  114    HB   ILE 556           HB       ILE 556  50.606   1.070  -7.059
  115   HG12  ILE 556          HG12      ILE 556  52.948   2.925  -6.650
  116   HG13  ILE 556          HG11      ILE 556  51.309   3.510  -6.380
  117   HG21  ILE 556          HG21      ILE 556  53.214   1.263  -8.583
  118   HG22  ILE 556          HG22      ILE 556  52.131  -0.121  -8.444
  119   HG23  ILE 556          HG23      ILE 556  53.097   0.385  -7.058
  120   HD11  ILE 556          HD11      ILE 556  51.642   2.687  -4.281
  121   HD12  ILE 556          HD12      ILE 556  52.906   1.576  -4.805
  122   HD13  ILE 556          HD13      ILE 556  51.209   1.151  -5.029
  123    H    THR 557           HN       THR 557  51.089   2.835 -11.182
  124    HA   THR 557           HA       THR 557  49.425   0.570 -11.994
  125    HB   THR 557           HB       THR 557  50.049   1.360 -14.317
  126    HG1  THR 557           HG1      THR 557  51.974   2.326 -14.033
  127   HG21  THR 557          HG21      THR 557  48.020   2.207 -13.390
  128   HG22  THR 557          HG22      THR 557  48.884   3.613 -14.010
  129   HG23  THR 557          HG23      THR 557  48.886   3.270 -12.280
  130    H    GLY 558           HN       GLY 558  50.658  -1.207 -11.175
  131    HA2  GLY 558           HA2      GLY 558  52.058  -2.860 -12.692
  132    HA3  GLY 558           HA1      GLY 558  53.333  -1.679 -12.374
  133    H    ARG 559           HN       ARG 559  54.562  -3.254 -11.153
  134    HA   ARG 559           HA       ARG 559  53.539  -4.751  -8.958
  135    HB2  ARG 559           HB2      ARG 559  56.232  -3.809  -9.836
  136    HB3  ARG 559           HB1      ARG 559  56.075  -4.298  -8.149
  137    HG2  ARG 559           HG2      ARG 559  54.801  -6.135 -10.082
  138    HG3  ARG 559           HG1      ARG 559  56.556  -6.032 -10.212
  139    HD2  ARG 559           HD2      ARG 559  56.840  -6.620  -7.892
  140    HD3  ARG 559           HD1      ARG 559  55.107  -6.485  -7.590
  141    HE   ARG 559           HE       ARG 559  55.294  -8.416  -9.575
  142   HH11  ARG 559          HH11      ARG 559  55.485 -10.615  -9.121
  143   HH12  ARG 559          HH12      ARG 559  56.151 -11.121  -7.605
  144   HH21  ARG 559          HH21      ARG 559  56.671  -7.899  -6.450
  145   HH22  ARG 559          HH22      ARG 559  56.821  -9.587  -6.096
  146    H    CYS 560           HN       CYS 560  53.729  -4.262  -6.642
  147    HA   CYS 560           HA       CYS 560  54.163  -1.435  -5.924
  148    HB2  CYS 560           HB2      CYS 560  51.966  -1.096  -4.997
  149    HB3  CYS 560           HB1      CYS 560  51.758  -1.642  -6.660
  150    HG   CYS 560           HG       CYS 560  51.718  -4.041  -4.858
  151    H    ILE 561           HN       ILE 561  54.901  -1.242  -3.871
  152    HA   ILE 561           HA       ILE 561  55.305  -3.726  -2.324
  153    HB   ILE 561           HB       ILE 561  56.182  -0.976  -1.463
  154   HG12  ILE 561          HG12      ILE 561  56.781  -1.357  -3.905
  155   HG13  ILE 561          HG11      ILE 561  58.158  -1.119  -2.836
  156   HG21  ILE 561          HG21      ILE 561  56.666  -2.608   0.167
  157   HG22  ILE 561          HG22      ILE 561  58.180  -2.452  -0.726
  158   HG23  ILE 561          HG23      ILE 561  57.106  -3.814  -1.042
  159   HD11  ILE 561          HD11      ILE 561  58.666  -3.451  -2.805
  160   HD12  ILE 561          HD12      ILE 561  58.354  -3.053  -4.493
  161   HD13  ILE 561          HD13      ILE 561  57.118  -3.871  -3.538
  162    H    THR 562           HN       THR 562  54.689  -3.829  -0.044
  163    HA   THR 562           HA       THR 562  52.507  -1.933   0.719
  164    HB   THR 562           HB       THR 562  52.476  -4.939   1.104
  165    HG1  THR 562           HG1      THR 562  51.592  -4.900  -0.773
  166   HG21  THR 562          HG21      THR 562  50.805  -2.691   2.137
  167   HG22  THR 562          HG22      THR 562  51.273  -4.196   2.928
  168   HG23  THR 562          HG23      THR 562  49.996  -4.200   1.711
  169    H    ALA 563           HN       ALA 563  53.505  -0.840   2.349
  170    HA   ALA 563           HA       ALA 563  55.220  -2.294   4.270
  171    HB1  ALA 563           HB1      ALA 563  54.497   0.645   4.291
  172    HB2  ALA 563           HB2      ALA 563  55.806  -0.006   3.306
  173    HB3  ALA 563           HB3      ALA 563  55.881  -0.129   5.063
  174    H    MET 564           HN       MET 564  54.094   0.079   6.109
  175    HA   MET 564           HA       MET 564  52.354  -1.646   7.665
  176    HB2  MET 564           HB2      MET 564  52.857   1.339   7.858
  177    HB3  MET 564           HB1      MET 564  52.053   0.362   9.083
  178    HG2  MET 564           HG2      MET 564  54.068  -0.916   9.482
  179    HG3  MET 564           HG1      MET 564  54.880  -0.153   8.116
  180    HE1  MET 564           HE1      MET 564  56.289  -0.158  11.016
  181    HE2  MET 564           HE2      MET 564  56.977   1.448  10.787
  182    HE3  MET 564           HE3      MET 564  56.831   0.356   9.412
  183    H    ALA 565           HN       ALA 565  51.130  -1.826   5.409
  184    HA   ALA 565           HA       ALA 565  48.986  -1.604   4.452
  185    HB1  ALA 565           HB1      ALA 565  48.446  -0.785   6.954
  186    HB2  ALA 565           HB2      ALA 565  47.280  -0.602   5.645
  187    HB3  ALA 565           HB3      ALA 565  48.280   0.767   6.132
  188    H    LYS 566           HN       LYS 566  51.414   0.675   4.725
  189    HA   LYS 566           HA       LYS 566  50.227   2.617   2.832
  190    HB2  LYS 566           HB2      LYS 566  52.539   2.542   4.679
  191    HB3  LYS 566           HB1      LYS 566  52.820   3.404   3.168
  192    HG2  LYS 566           HG2      LYS 566  50.719   4.708   3.580
  193    HG3  LYS 566           HG1      LYS 566  50.583   3.916   5.151
  194    HD2  LYS 566           HD2      LYS 566  52.985   5.540   4.260
  195    HD3  LYS 566           HD1      LYS 566  51.686   6.159   5.280
  196    HE2  LYS 566           HE2      LYS 566  52.988   5.429   6.999
  197    HE3  LYS 566           HE1      LYS 566  52.330   3.844   6.591
  198    HZ1  LYS 566           HZ1      LYS 566  54.237   3.678   4.966
  199    HZ2  LYS 566           HZ2      LYS 566  54.643   3.581   6.613
  200    HZ3  LYS 566           HZ3      LYS 566  54.912   5.021   5.751
  201    H    LYS 567           HN       LYS 567  50.676   2.554   0.662
  202    HA   LYS 567           HA       LYS 567  52.406   0.380  -0.325
  203    HB2  LYS 567           HB2      LYS 567  50.254   2.093  -1.447
  204    HB3  LYS 567           HB1      LYS 567  51.499   1.564  -2.573
  205    HG2  LYS 567           HG2      LYS 567  49.537  -0.007  -2.394
  206    HG3  LYS 567           HG1      LYS 567  51.093  -0.753  -2.047
  207    HD2  LYS 567           HD2      LYS 567  50.689  -0.440   0.380
  208    HD3  LYS 567           HD1      LYS 567  49.112   0.256   0.011
  209    HE2  LYS 567           HE2      LYS 567  49.504  -2.387   0.516
  210    HE3  LYS 567           HE1      LYS 567  48.193  -1.762  -0.467
  211    HZ1  LYS 567           HZ1      LYS 567  49.280  -3.484  -1.671
  212    HZ2  LYS 567           HZ2      LYS 567  50.804  -2.773  -1.429
  213    HZ3  LYS 567           HZ3      LYS 567  49.655  -2.012  -2.424
  214    H    PHE 568           HN       PHE 568  53.763   0.968  -2.303
  215    HA   PHE 568           HA       PHE 568  54.912   3.675  -2.368
  216    HB2  PHE 568           HB2      PHE 568  56.465   1.277  -1.345
  217    HB3  PHE 568           HB1      PHE 568  57.247   2.726  -1.957
  218    HD1  PHE 568           HD1      PHE 568  55.304   1.259   0.791
  219    HD2  PHE 568           HD2      PHE 568  57.079   4.863  -0.735
  220    HE1  PHE 568           HE1      PHE 568  55.077   2.317   3.022
  221    HE2  PHE 568           HE2      PHE 568  56.847   5.920   1.496
  222    HZ   PHE 568           HZ       PHE 568  55.848   4.646   3.375
  223    H    HIS 569           HN       HIS 569  55.761   4.005  -4.450
  224    HA   HIS 569           HA       HIS 569  55.353   2.048  -6.488
  225    HB2  HIS 569           HB2      HIS 569  57.079   4.521  -6.314
  226    HB3  HIS 569           HB1      HIS 569  57.185   3.464  -7.717
  227    HD2  HIS 569           HD2      HIS 569  54.387   3.039  -8.879
  228    HE1  HIS 569           HE1      HIS 569  53.285   6.959  -7.758
  229    HE2  HIS 569           HE2      HIS 569  52.662   4.962  -9.209
  230    HA   PRO 570           HA       PRO 570  58.554  -0.859  -5.414
  231    HB2  PRO 570           HB2      PRO 570  58.921  -1.190  -8.330
  232    HB3  PRO 570           HB1      PRO 570  58.479  -2.384  -7.105
  233    HG2  PRO 570           HG2      PRO 570  56.709  -1.343  -8.935
  234    HG3  PRO 570           HG1      PRO 570  56.242  -2.027  -7.377
  235    HD2  PRO 570           HD2      PRO 570  56.211   0.788  -8.246
  236    HD3  PRO 570           HD1      PRO 570  55.400   0.029  -6.852
  237    H    GLU 571           HN       GLU 571  59.039   2.023  -7.073
  238    HA   GLU 571           HA       GLU 571  62.011   1.698  -7.016
  239    HB2  GLU 571           HB2      GLU 571  62.090   3.448  -8.761
  240    HB3  GLU 571           HB1      GLU 571  61.143   2.059  -9.298
  241    HG2  GLU 571           HG2      GLU 571  59.066   3.202  -8.772
  242    HG3  GLU 571           HG1      GLU 571  59.942   4.549  -8.055
  243    H    HIS 572           HN       HIS 572  59.364   3.202  -5.533
  244    HA   HIS 572           HA       HIS 572  61.018   5.539  -4.693
  245    HB2  HIS 572           HB2      HIS 572  58.027   5.060  -4.522
  246    HB3  HIS 572           HB1      HIS 572  58.843   6.458  -3.821
  247    HD2  HIS 572           HD2      HIS 572  60.951   6.392  -6.663
  248    HE1  HIS 572           HE1      HIS 572  57.433   7.895  -8.435
  249    HE2  HIS 572           HE2      HIS 572  59.938   7.595  -8.729
  250    H    PHE 573           HN       PHE 573  59.830   2.515  -3.639
  251    HA   PHE 573           HA       PHE 573  59.829   3.097  -0.782
  252    HB2  PHE 573           HB2      PHE 573  58.669   1.117  -1.982
  253    HB3  PHE 573           HB1      PHE 573  60.267   0.385  -2.059
  254    HD1  PHE 573           HD1      PHE 573  57.436  -0.018  -0.350
  255    HD2  PHE 573           HD2      PHE 573  61.496   1.075   0.513
  256    HE1  PHE 573           HE1      PHE 573  57.161  -0.827   1.971
  257    HE2  PHE 573           HE2      PHE 573  61.219   0.269   2.832
  258    HZ   PHE 573           HZ       PHE 573  59.053  -0.683   3.566
  259    H    VAL 574           HN       VAL 574  61.841   4.174  -0.519
  260    HA   VAL 574           HA       VAL 574  64.271   2.532  -1.068
  261    HB   VAL 574           HB       VAL 574  65.519   4.656  -0.894
  262   HG11  VAL 574          HG11      VAL 574  63.347   5.468  -2.724
  263   HG12  VAL 574          HG12      VAL 574  63.934   3.824  -2.970
  264   HG13  VAL 574          HG13      VAL 574  65.054   5.183  -3.059
  265   HG21  VAL 574          HG21      VAL 574  64.080   5.810   0.723
  266   HG22  VAL 574          HG22      VAL 574  62.758   5.842  -0.444
  267   HG23  VAL 574          HG23      VAL 574  64.220   6.782  -0.742
  268    H    CYS 575           HN       CYS 575  66.094   3.054   0.578
  269    HA   CYS 575           HA       CYS 575  65.152   2.242   3.212
  270    HB2  CYS 575           HB2      CYS 575  67.234   1.329   2.457
  271    HB3  CYS 575           HB1      CYS 575  67.871   2.923   2.073
  272    H    ALA 576           HN       ALA 576  64.738   3.575   4.929
  273    HA   ALA 576           HA       ALA 576  64.830   6.457   4.590
  274    HB1  ALA 576           HB1      ALA 576  64.184   6.441   7.052
  275    HB2  ALA 576           HB2      ALA 576  64.254   4.681   6.974
  276    HB3  ALA 576           HB3      ALA 576  63.093   5.562   5.982
  277    H    PHE 577           HN       PHE 577  67.411   5.335   4.227
  278    HA   PHE 577           HA       PHE 577  68.905   6.790   6.338
  279    HB2  PHE 577           HB2      PHE 577  68.771   4.189   6.721
  280    HB3  PHE 577           HB1      PHE 577  69.937   4.121   5.403
  281    HD1  PHE 577           HD1      PHE 577  72.221   4.511   5.817
  282    HD2  PHE 577           HD2      PHE 577  69.301   5.773   8.705
  283    HE1  PHE 577           HE1      PHE 577  74.038   5.106   7.395
  284    HE2  PHE 577           HE2      PHE 577  71.119   6.368  10.282
  285    HZ   PHE 577           HZ       PHE 577  73.487   6.035   9.627
  286    H    CYS 578           HN       CYS 578  69.490   4.707   3.502
  287    HA   CYS 578           HA       CYS 578  71.388   6.746   2.452
  288    HB2  CYS 578           HB2      CYS 578  71.818   4.862   0.734
  289    HB3  CYS 578           HB1      CYS 578  72.364   4.586   2.387
  290    H    LEU 579           HN       LEU 579  68.217   5.499   2.019
  291    HA   LEU 579           HA       LEU 579  66.534   5.937   0.458
  292    HB2  LEU 579           HB2      LEU 579  68.199   8.437   0.019
  293    HB3  LEU 579           HB1      LEU 579  66.519   8.223  -0.468
  294    HG   LEU 579           HG       LEU 579  66.426   7.513   2.189
  295   HD11  LEU 579          HD11      LEU 579  68.273   9.906   1.978
  296   HD12  LEU 579          HD12      LEU 579  68.815   8.284   2.404
  297   HD13  LEU 579          HD13      LEU 579  67.689   9.141   3.455
  298   HD21  LEU 579          HD21      LEU 579  64.835   8.980   1.048
  299   HD22  LEU 579          HD22      LEU 579  66.051  10.253   0.936
  300   HD23  LEU 579          HD23      LEU 579  65.418   9.774   2.510
  301    H    LYS 580           HN       LYS 580  69.189   4.651  -0.456
  302    HA   LYS 580           HA       LYS 580  69.533   5.454  -3.220
  303    HB2  LYS 580           HB2      LYS 580  70.873   3.390  -3.421
  304    HB3  LYS 580           HB1      LYS 580  71.311   4.278  -1.962
  305    HG2  LYS 580           HG2      LYS 580  69.552   2.773  -0.777
  306    HG3  LYS 580           HG1      LYS 580  69.687   1.748  -2.204
  307    HD2  LYS 580           HD2      LYS 580  72.338   2.364  -1.465
  308    HD3  LYS 580           HD1      LYS 580  71.497   1.990   0.039
  309    HE2  LYS 580           HE2      LYS 580  72.350  -0.087  -0.835
  310    HE3  LYS 580           HE1      LYS 580  70.604  -0.093  -1.081
  311    HZ1  LYS 580           HZ1      LYS 580  72.664  -0.245  -3.006
  312    HZ2  LYS 580           HZ2      LYS 580  71.716   1.134  -3.301
  313    HZ3  LYS 580           HZ3      LYS 580  70.990  -0.400  -3.226
  314    H    GLN 581           HN       GLN 581  68.009   2.598  -1.715
  315    HA   GLN 581           HA       GLN 581  65.689   2.585  -3.335
  316    HB2  GLN 581           HB2      GLN 581  67.903   1.769  -4.827
  317    HB3  GLN 581           HB1      GLN 581  67.184   0.254  -4.296
  318    HG2  GLN 581           HG2      GLN 581  65.122   2.103  -5.146
  319    HG3  GLN 581           HG1      GLN 581  66.317   1.886  -6.423
  320   HE21  GLN 581          HE21      GLN 581  63.871   0.243  -4.493
  321   HE22  GLN 581          HE22      GLN 581  63.863  -1.196  -5.390
  322    H    LEU 582           HN       LEU 582  64.409   0.595  -2.868
  323    HA   LEU 582           HA       LEU 582  65.577  -1.331  -1.004
  324    HB2  LEU 582           HB2      LEU 582  64.873   0.891   0.241
  325    HB3  LEU 582           HB1      LEU 582  63.257   0.205   0.108
  326    HG   LEU 582           HG       LEU 582  64.189  -1.920   1.104
  327   HD11  LEU 582          HD11      LEU 582  66.371  -0.776   2.507
  328   HD12  LEU 582          HD12      LEU 582  66.626  -0.432   0.799
  329   HD13  LEU 582          HD13      LEU 582  66.413  -2.097   1.341
  330   HD21  LEU 582          HD21      LEU 582  63.861   0.698   2.471
  331   HD22  LEU 582          HD22      LEU 582  64.590  -0.593   3.426
  332   HD23  LEU 582          HD23      LEU 582  62.991  -0.815   2.717
  333    H    ASN 583           HN       ASN 583  64.107  -3.068  -0.485
  334    HA   ASN 583           HA       ASN 583  61.554  -3.134  -1.997
  335    HB2  ASN 583           HB2      ASN 583  62.150  -5.405  -2.870
  336    HB3  ASN 583           HB1      ASN 583  63.167  -4.127  -3.533
  337   HD21  ASN 583          HD21      ASN 583  63.157  -6.994  -1.508
  338   HD22  ASN 583          HD22      ASN 583  64.829  -7.030  -1.217
  339    H    LYS 584           HN       LYS 584  59.996  -4.003  -0.726
  340    HA   LYS 584           HA       LYS 584  60.363  -4.772   1.956
  341    HB2  LYS 584           HB2      LYS 584  58.154  -4.239   1.287
  342    HB3  LYS 584           HB1      LYS 584  58.208  -5.354  -0.075
  343    HG2  LYS 584           HG2      LYS 584  56.818  -6.325   1.663
  344    HG3  LYS 584           HG1      LYS 584  58.308  -7.259   1.551
  345    HD2  LYS 584           HD2      LYS 584  57.790  -6.838   3.901
  346    HD3  LYS 584           HD1      LYS 584  59.238  -5.939   3.452
  347    HE2  LYS 584           HE2      LYS 584  58.170  -3.890   3.559
  348    HE3  LYS 584           HE1      LYS 584  56.598  -4.569   3.140
  349    HZ1  LYS 584           HZ1      LYS 584  57.707  -5.519   5.634
  350    HZ2  LYS 584           HZ2      LYS 584  56.128  -5.012   5.268
  351    HZ3  LYS 584           HZ3      LYS 584  57.331  -3.865   5.619
  352    H    GLY 585           HN       GLY 585  60.737  -6.617  -0.971
  353    HA2  GLY 585           HA2      GLY 585  60.485  -9.261  -0.133
  354    HA3  GLY 585           HA1      GLY 585  61.659  -8.737  -1.332
  355    H    THR 586           HN       THR 586  63.225  -7.070   0.504
  356    HA   THR 586           HA       THR 586  64.133  -8.983   2.577
  357    HB   THR 586           HB       THR 586  66.500  -8.852   1.718
  358    HG1  THR 586           HG1      THR 586  66.437  -8.363  -0.662
  359   HG21  THR 586          HG21      THR 586  66.205 -10.590   0.069
  360   HG22  THR 586          HG22      THR 586  64.558 -10.059  -0.272
  361   HG23  THR 586          HG23      THR 586  64.945 -10.793   1.285
  362    H    PHE 587           HN       PHE 587  62.999  -6.280   2.714
  363    HA   PHE 587           HA       PHE 587  65.344  -4.623   3.449
  364    HB2  PHE 587           HB2      PHE 587  63.979  -2.787   3.290
  365    HB3  PHE 587           HB1      PHE 587  63.036  -3.857   2.274
  366    HD1  PHE 587           HD1      PHE 587  61.609  -5.624   3.995
  367    HD2  PHE 587           HD2      PHE 587  62.608  -1.499   4.662
  368    HE1  PHE 587           HE1      PHE 587  59.704  -5.415   5.566
  369    HE2  PHE 587           HE2      PHE 587  60.700  -1.292   6.230
  370    HZ   PHE 587           HZ       PHE 587  59.249  -3.249   6.684
  371    H    LYS 588           HN       LYS 588  64.804  -3.279   5.540
  372    HA   LYS 588           HA       LYS 588  63.712  -5.004   7.692
  373    HB2  LYS 588           HB2      LYS 588  66.483  -3.788   7.573
  374    HB3  LYS 588           HB1      LYS 588  65.735  -4.257   9.094
  375    HG2  LYS 588           HG2      LYS 588  66.179  -6.123   6.743
  376    HG3  LYS 588           HG1      LYS 588  67.223  -6.027   8.158
  377    HD2  LYS 588           HD2      LYS 588  64.324  -6.885   8.082
  378    HD3  LYS 588           HD1      LYS 588  65.718  -7.872   8.504
  379    HE2  LYS 588           HE2      LYS 588  66.134  -6.189  10.402
  380    HE3  LYS 588           HE1      LYS 588  64.504  -5.600  10.082
  381    HZ1  LYS 588           HZ1      LYS 588  64.073  -7.201  11.623
  382    HZ2  LYS 588           HZ2      LYS 588  65.373  -8.186  11.148
  383    HZ3  LYS 588           HZ3      LYS 588  63.955  -8.138  10.215
  384    H    GLU 589           HN       GLU 589  63.712  -3.475   9.807
  385    HA   GLU 589           HA       GLU 589  63.438  -0.640   9.070
  386    HB2  GLU 589           HB2      GLU 589  61.156  -0.407   9.433
  387    HB3  GLU 589           HB1      GLU 589  61.215  -1.988   8.657
  388    HG2  GLU 589           HG2      GLU 589  61.416  -2.932  11.064
  389    HG3  GLU 589           HG1      GLU 589  60.857  -1.341  11.582
  390    H    GLN 590           HN       GLN 590  63.301   0.749  10.866
  391    HA   GLN 590           HA       GLN 590  63.436  -0.332  13.593
  392    HB2  GLN 590           HB2      GLN 590  65.799  -0.471  12.707
  393    HB3  GLN 590           HB1      GLN 590  65.752   1.273  12.467
  394    HG2  GLN 590           HG2      GLN 590  66.785   0.943  14.589
  395    HG3  GLN 590           HG1      GLN 590  65.142   1.473  14.937
  396   HE21  GLN 590          HE21      GLN 590  66.284  -1.774  13.923
  397   HE22  GLN 590          HE22      GLN 590  65.709  -2.579  15.303
  398    H    ASN 591           HN       ASN 591  63.077   1.390  15.137
  399    HA   ASN 591           HA       ASN 591  62.058   3.392  15.804
  400    HB2  ASN 591           HB2      ASN 591  63.893   4.308  13.585
  401    HB3  ASN 591           HB1      ASN 591  62.931   5.440  14.528
  402   HD21  ASN 591          HD21      ASN 591  65.941   3.968  14.435
  403   HD22  ASN 591          HD22      ASN 591  66.360   4.113  16.073
  404    H    ASP 592           HN       ASP 592  60.902   1.746  13.430
  405    HA   ASP 592           HA       ASP 592  58.820   1.892  12.332
  406    HB2  ASP 592           HB2      ASP 592  58.466   3.791  14.165
  407    HB3  ASP 592           HB1      ASP 592  58.631   4.846  12.758
  408    H    LYS 593           HN       LYS 593  61.477   2.412  11.095
  409    HA   LYS 593           HA       LYS 593  60.429   3.696   8.636
  410    HB2  LYS 593           HB2      LYS 593  63.100   4.549   8.732
  411    HB3  LYS 593           HB1      LYS 593  61.667   5.552   8.934
  412    HG2  LYS 593           HG2      LYS 593  61.743   4.819  11.417
  413    HG3  LYS 593           HG1      LYS 593  63.388   4.300  11.066
  414    HD2  LYS 593           HD2      LYS 593  63.808   6.474  11.720
  415    HD3  LYS 593           HD1      LYS 593  63.553   6.731   9.994
  416    HE2  LYS 593           HE2      LYS 593  62.209   8.365  11.123
  417    HE3  LYS 593           HE1      LYS 593  61.097   7.129  10.536
  418    HZ1  LYS 593           HZ1      LYS 593  62.247   7.129  13.269
  419    HZ2  LYS 593           HZ2      LYS 593  60.988   6.153  12.678
  420    HZ3  LYS 593           HZ3      LYS 593  60.747   7.822  12.889
  421    HA   PRO 594           HA       PRO 594  62.360   0.218   6.742
  422    HB2  PRO 594           HB2      PRO 594  62.973   1.308   4.294
  423    HB3  PRO 594           HB1      PRO 594  61.355   0.796   4.788
  424    HG2  PRO 594           HG2      PRO 594  62.498   3.543   4.625
  425    HG3  PRO 594           HG1      PRO 594  60.851   2.992   4.308
  426    HD2  PRO 594           HD2      PRO 594  61.625   4.292   6.631
  427    HD3  PRO 594           HD1      PRO 594  60.226   3.193   6.529
  428    H    TYR 595           HN       TYR 595  64.329  -0.650   6.068
  429    HA   TYR 595           HA       TYR 595  66.725   0.988   5.720
  430    HB2  TYR 595           HB2      TYR 595  66.350  -0.755   8.184
  431    HB3  TYR 595           HB1      TYR 595  67.916  -0.168   7.635
  432    HD1  TYR 595           HD1      TYR 595  65.204   0.517   9.761
  433    HD2  TYR 595           HD2      TYR 595  67.981   2.457   7.126
  434    HE1  TYR 595           HE1      TYR 595  64.807   2.668  10.924
  435    HE2  TYR 595           HE2      TYR 595  67.581   4.610   8.292
  436    HH   TYR 595           HH       TYR 595  65.777   5.646   9.664
  437    H    CYS 596           HN       CYS 596  67.927  -0.160   4.214
  438    HA   CYS 596           HA       CYS 596  67.147  -2.665   3.193
  439    HB2  CYS 596           HB2      CYS 596  70.075  -2.102   3.227
  440    HB3  CYS 596           HB1      CYS 596  69.043  -2.589   1.885
  441    H    GLN 597           HN       GLN 597  67.757  -4.791   3.674
  442    HA   GLN 597           HA       GLN 597  68.145  -5.504   6.357
  443    HB2  GLN 597           HB2      GLN 597  67.522  -7.358   5.152
  444    HB3  GLN 597           HB1      GLN 597  68.408  -6.832   3.724
  445    HG2  GLN 597           HG2      GLN 597  69.387  -8.890   4.672
  446    HG3  GLN 597           HG1      GLN 597  70.522  -7.547   4.753
  447   HE21  GLN 597          HE21      GLN 597  67.918  -7.337   7.042
  448   HE22  GLN 597          HE22      GLN 597  68.791  -7.861   8.399
  449    H    ASN 598           HN       ASN 598  70.505  -4.781   3.845
  450    HA   ASN 598           HA       ASN 598  72.834  -5.469   5.414
  451    HB2  ASN 598           HB2      ASN 598  72.905  -5.258   2.938
  452    HB3  ASN 598           HB1      ASN 598  72.564  -3.534   3.087
  453   HD21  ASN 598          HD21      ASN 598  74.951  -5.987   4.233
  454   HD22  ASN 598          HD22      ASN 598  76.267  -4.916   4.241
  455    H    CYS 599           HN       CYS 599  70.910  -2.542   4.899
  456    HA   CYS 599           HA       CYS 599  72.615  -0.769   6.418
  457    HB2  CYS 599           HB2      CYS 599  69.821  -0.690   5.362
  458    HB3  CYS 599           HB1      CYS 599  70.191   0.386   6.705
  459    H    PHE 600           HN       PHE 600  69.453  -2.254   7.264
  460    HA   PHE 600           HA       PHE 600  69.429  -1.687  10.020
  461    HB2  PHE 600           HB2      PHE 600  67.550  -2.751   8.852
  462    HB3  PHE 600           HB1      PHE 600  68.513  -4.195   8.565
  463    HD1  PHE 600           HD1      PHE 600  66.412  -2.408  10.917
  464    HD2  PHE 600           HD2      PHE 600  69.280  -5.585  10.538
  465    HE1  PHE 600           HE1      PHE 600  65.667  -3.343  13.088
  466    HE2  PHE 600           HE2      PHE 600  68.539  -6.513  12.713
  467    HZ   PHE 600           HZ       PHE 600  66.731  -5.393  13.988
  468    H    LEU 601           HN       LEU 601  70.957  -4.372   8.292
  469    HA   LEU 601           HA       LEU 601  72.078  -5.722  10.545
  470    HB2  LEU 601           HB2      LEU 601  71.958  -6.740   8.328
  471    HB3  LEU 601           HB1      LEU 601  72.990  -5.484   7.661
  472    HG   LEU 601           HG       LEU 601  74.745  -6.266   9.389
  473   HD11  LEU 601          HD11      LEU 601  72.845  -8.633   9.378
  474   HD12  LEU 601          HD12      LEU 601  73.232  -7.619  10.767
  475   HD13  LEU 601          HD13      LEU 601  74.474  -8.650  10.056
  476   HD21  LEU 601          HD21      LEU 601  73.829  -7.943   7.039
  477   HD22  LEU 601          HD22      LEU 601  75.362  -8.213   7.872
  478   HD23  LEU 601          HD23      LEU 601  75.063  -6.683   7.045
  479    H    LYS 602           HN       LYS 602  72.897  -2.834   8.832
  480    HA   LYS 602           HA       LYS 602  75.588  -2.590  10.018
  481    HB2  LYS 602           HB2      LYS 602  74.461  -1.710   7.658
  482    HB3  LYS 602           HB1      LYS 602  74.421  -0.258   8.648
  483    HG2  LYS 602           HG2      LYS 602  76.528  -0.188   7.589
  484    HG3  LYS 602           HG1      LYS 602  76.871  -0.778   9.214
  485    HD2  LYS 602           HD2      LYS 602  78.085  -2.230   7.768
  486    HD3  LYS 602           HD1      LYS 602  76.650  -3.144   8.232
  487    HE2  LYS 602           HE2      LYS 602  75.632  -2.861   6.143
  488    HE3  LYS 602           HE1      LYS 602  76.598  -1.438   5.754
  489    HZ1  LYS 602           HZ1      LYS 602  78.561  -2.914   5.670
  490    HZ2  LYS 602           HZ2      LYS 602  77.396  -3.281   4.489
  491    HZ3  LYS 602           HZ3      LYS 602  77.538  -4.251   5.877
  492    H    LEU 603           HN       LEU 603  72.369  -1.110  10.286
  493    HA   LEU 603           HA       LEU 603  73.284   0.822  12.293
  494    HB2  LEU 603           HB2      LEU 603  70.387   0.221  11.774
  495    HB3  LEU 603           HB1      LEU 603  71.146   1.754  12.172
  496    HG   LEU 603           HG       LEU 603  71.283   0.293   9.530
  497   HD11  LEU 603          HD11      LEU 603  70.161   2.303   8.680
  498   HD12  LEU 603          HD12      LEU 603  70.178   3.006  10.297
  499   HD13  LEU 603          HD13      LEU 603  69.211   1.567   9.972
  500   HD21  LEU 603          HD21      LEU 603  73.461   1.272   9.893
  501   HD22  LEU 603          HD22      LEU 603  72.743   2.765  10.498
  502   HD23  LEU 603          HD23      LEU 603  72.584   2.336   8.794
  503    H    PHE 604           HN       PHE 604  70.902  -1.838  12.293
  504    HA   PHE 604           HA       PHE 604  70.684  -1.870  15.172
  505    HB2  PHE 604           HB2      PHE 604  69.015  -2.741  13.375
  506    HB3  PHE 604           HB1      PHE 604  69.991  -4.208  13.409
  507    HD1  PHE 604           HD1      PHE 604  68.231  -1.815  15.696
  508    HD2  PHE 604           HD2      PHE 604  69.582  -5.841  15.044
  509    HE1  PHE 604           HE1      PHE 604  67.074  -2.538  17.766
  510    HE2  PHE 604           HE2      PHE 604  68.424  -6.563  17.115
  511    HZ   PHE 604           HZ       PHE 604  67.171  -4.912  18.475
  512    H    CYS 605           HN       CYS 605  72.901  -3.286  12.919
  513    HA   CYS 605           HA       CYS 605  74.260  -4.642  15.192
  514    HB2  CYS 605           HB2      CYS 605  72.723  -6.210  13.742
  515    HB3  CYS 605           HB1      CYS 605  74.038  -6.104  12.574
  516    HG   CYS 605           HG       CYS 605  75.594  -6.877  14.736