*HEADER    OXIDOREDUCTASE                          01-OCT-05   2B6F              
*TITLE     SOLUTION STRUCTURE OF HUMAN SULFIREDOXIN (SRX)                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SULFIREDOXIN;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 EC: 1.18.-.-;                                                        
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: SRX, C20ORF139;                                                
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID                               
*KEYWDS    PARB DOMAIN FOLD                                                      
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    J.M.GRUSCHUS, D.-Y.LEE, J.A.FERRETTI, S.G.RHEE                        
*REVDAT   1   19-SEP-06 2B6F    0                                                


 set message=off echo=off end
! Q137
assign (resid  137 and  name HA   )(resid  137 and  name HN   ) 2.852 0.404 0.471
assign (resid  137 and  name HN   )(resid  137 and  name HA   ) 3.224 0.582 0.710
assign (resid  137 and  name HB1  )(resid  137 and  name HN   ) 3.263 0.463 0.539
assign (resid  137 and  name HB2  )(resid  137 and  name HN   ) 2.623 0.372 0.434
assign (resid  137 and  name HG#  )(resid  137 and  name HN   ) 2.646 0.375 0.437
assign (resid  137 and  name HE22 )(resid  137 and  name HN   ) 3.972 0.563 0.657
assign (resid  137 and  name HN   )(resid  137 and  name HE22 ) 4.944 0.701 0.817
assign ((resid  137 and  name HE21 ) or ((resid  92 or resid  94) and  name HE#  ))(resid  137 and  name HN   ) 3.636 0.516 0.601
assign (resid  137 and  name HN   )(resid  137 and  name HE22 ) 5.422 0.769 0.896
assign (resid  137 and  name HG#  )(resid  137 and  name HA   ) 2.819 0.508 0.620
assign (resid  137 and  name HA   )(resid  137 and  name HE21 ) 4.505 0.639 0.745
assign (resid  137 and  name HB1  )(resid  137 and  name HE21 ) 4.489 0.637 0.742
assign (resid  137 and  name HB2  )(resid  137 and  name HE21 ) 4.757 0.675 0.786
assign (resid  137 and  name HG#  )(resid  137 and  name HE21 ) 2.770 0.392 0.458
assign (resid  137 and  name HA   )(resid  137 and  name HE22 ) 4.476 0.635 0.740
assign (resid  137 and  name HB1  )(resid  137 and  name HE22 ) 5.383 0.763 0.890
assign (resid  137 and  name HB2  )(resid  137 and  name HE22 ) 5.447 0.772 0.900
assign (resid  137 and  name HG#  )(resid  137 and  name HE22 ) 3.172 0.450 0.524
assign ((resid  136 and  name HN   ) or (resid   92 and  name HD#  ))(resid  137 and  name HN   ) 3.789 0.537 0.626
assign (resid  137 and  name HN   )(resid  136 and  name HN   ) 4.632 0.657 0.766
assign (resid  136 and  name HA   )(resid  137 and  name HN   ) 1.995 0.283 0.330
assign (resid  137 and  name HN   )(resid  136 and  name HA   ) 2.350 0.424 0.517
assign (resid  136 and  name HB1  )(resid  137 and  name HN   ) 3.708 0.526 0.613
assign (resid  136 and  name HB2  )(resid  137 and  name HN   ) 3.251 0.461 0.537
assign (resid  136 and  name HD2# )(resid  137 and  name HN   ) 3.157 0.448 0.521
assign (resid  137 and  name HN   )(resid  136 and  name HD2# ) 3.593 0.648 0.791
assign (resid  136 and  name HD1# )(resid  137 and  name HA   ) 4.000 0.500 999.0
assign (resid  136 and  name HD2# )(resid  137 and  name HA   ) 4.000 0.500 999.0
assign ((resid  137 or resid  51) and  name HN   )(resid   92 and  name HD#  ) 4.064 0.672 0.821
assign ((resid  137 or resid  51) and  name HN   )(resid   92 and  name HE#  ) 3.811 0.630 0.770
assign (resid   88 and  name HN   )(resid  137 and  name HA   ) 3.004 0.542 0.661
assign (resid  137 and  name HN   )(resid   88 and  name HN   ) 5.000 0.500 999.0
assign (resid  137 and  name HA   )(resid   88 and  name HN   ) 2.659 0.377 0.440
assign (resid  137 and  name HB1  )(resid   88 and  name HN   ) 4.084 0.579 0.675
assign (resid  137 and  name HA   )(resid   88 and  name HE21 ) 4.508 0.639 0.745
assign (resid  137 and  name HB1  )(resid   88 and  name HE21 ) 3.515 0.499 0.581
assign (resid  137 and  name HB2  )(resid   88 and  name HE21 ) 4.221 0.599 0.698
assign (resid  137 and  name HE21 )(resid   88 and  name HE21 ) 5.000 0.500 999.0
assign (resid  137 and  name HE22 )(resid   88 and  name HE21 ) 5.000 0.500 999.0
assign (resid  137 and  name HB1  )(resid   88 and  name HE22 ) 3.673 0.521 0.608
assign (resid  137 and  name HB2  )(resid   88 and  name HE22 ) 4.460 0.633 0.737
assign (resid   87 and  name HN   )(resid  137 and  name HN   ) 4.143 0.588 0.685
assign (resid   87 and  name HN   )(resid  137 and  name HA   ) 2.737 0.494 0.602
assign (resid  137 and  name HA   )(resid   87 and  name HN   ) 2.378 0.337 0.393
assign (resid  137 and  name HB1  )(resid   87 and  name HN   ) 4.175 0.592 0.690
assign (resid  137 and  name HB2  )(resid   87 and  name HN   ) 5.000 0.500 999.0
assign (resid  137 and  name HG1  )(resid   87 and  name HN   ) 5.000 0.500 999.0
assign (resid  137 and  name HG2  )(resid   87 and  name HN   ) 5.000 0.500 999.0
assign (resid   87 and  name HB#  )(resid  137 and  name HA   ) 2.653 0.479 0.584
assign (resid  137 and  name HA   )(resid   87 and  name HB#  ) 2.869 0.518 0.631
assign (resid  87  and  name HN   )(resid  137 and  name HE21 ) 5.000 0.500 999.0
assign (resid  87  and  name HN   )(resid  137 and  name HE22 ) 5.000 0.500 999.0
assign (resid  87  and  name HB#  )(resid  137 and  name HE21 ) 3.786 0.537 0.626
assign (resid  137 and  name HE21 )(resid  87  and  name HB#  ) 4.104 0.740 0.903
assign (resid  87  and  name HB#  )(resid  137 and  name HE22 ) 3.512 0.498 0.580
assign (resid  137 and  name HE22 )(resid  87  and  name HB#  ) 3.287 0.593 0.723
assign (resid   86 and  name HA2  )(resid  137 and  name HA   ) 3.335 0.602 0.734
assign (((resid  137 or resid   84) and name HA) or (resid 89 and name HA1 ))(resid   86 and  name HN   ) 4.001 0.568 0.661

! L136
assign (resid  136 and  name HA   )(resid  136 and  name HN   ) 3.164 0.449 0.523
assign (resid  136 and  name HN   )(resid  136 and  name HA   ) 2.791 0.503 0.614
assign (resid  136 and  name HB1  )(resid  136 and  name HN   ) 2.834 0.402 0.468
assign (resid  136 and  name HB2  )(resid  136 and  name HN   ) 3.389 0.481 0.560
assign (resid  136 and  name HG   )(resid  136 and  name HN   ) 2.454 0.348 0.406
assign (resid  136 and  name HD1# )(resid  136 and  name HN   ) 3.358 0.476 0.555
assign ((resid 136 and name HN) or (resid 92 and name HD#))((resid 136 and name HD1#) or (resid 125 and name HD2#)) 3.29 0.59 0.72
assign (resid  136 and  name HD2# )(resid  136 and  name HN   ) 3.378 0.479 0.558
assign ((resid  136 and  name HN   ) or (resid   92 and  name HD# ))(resid  136 and  name HD2# ) 3.501 0.632 0.771
assign (resid  136 and  name HD1# )(resid  136 and  name HA   ) 3.866 0.697 0.851
assign (resid  136 and  name HA   )(resid  136 and  name HD2# ) 2.473 0.461 0.544
assign (resid  136 and  name HD2# )(resid  136 and  name HA   ) 2.264 0.408 0.498
assign (resid  135 and  name HN   )(resid  136 and  name HN   ) 4.575 0.649 0.756
assign ((resid  136 and  name HN   ) or (resid   92 and  name HD# ))(resid  135 and  name HN   ) 3.571 0.506 0.590
assign (resid  135 and  name HA   )(resid  136 and  name HN   ) 2.359 0.334 0.390
assign (resid  136 and  name HN   )(resid  135 and  name HA   ) 2.349 0.424 0.517
assign (resid  135 and  name HB1  )(resid  136 and  name HN   ) 4.592 0.651 0.759
assign (resid  135 and  name HB2  )(resid  136 and  name HN   ) 4.273 0.606 0.706
assign (resid  136 and  name HG   )(resid  135 and  name HA   ) 3.583 0.646 0.789
assign (resid  136 and  name HD2# )(resid  135 and  name HN   ) 3.938 0.558 0.651
assign ((resid  136 and  name HN   ) or (resid   92 and  name HD# ))(resid  135 and  name HB2  ) 3.382 0.610 0.744
assign (resid  134 and  name HG1  )(resid  136 and  name HD2# ) 3.651 0.659 0.803
assign (resid  134 and  (name HG2  or name HB2  ))(resid  136 and  name HN   ) 4.378 0.621 0.724
assign (resid  134 and  (name HG2  or name HB2  ))(resid  136 and  name HD2# ) 3.064 0.553 0.674
assign (resid  134 and  name HD1  )((resid  136 and  name HD1# ) or (resid 125 and name HD2#)) 4.102 0.740 0.903
assign (resid  122 and  name HD1# )(resid  136 and  name HN   ) 3.751 0.532 0.620
assign (resid  136 and  name HN   )((resid  122 and  name HD1# ) or (resid 125 and name HD2#)) 4.017 0.725 0.884
assign (resid  136 and  name HN   )(resid  122 and  name HD2# ) 3.852 0.695 0.848
assign ((resid 136 and name HD1#) or (resid 125 and name HD*))(resid 94 and name HD#) 2.971 0.491 0.600
assign ((resid 136 and name HD1#) or (resid 125 and name HD*))(resid 94 and name HE#) 2.468 0.408 0.499
assign ((resid 122 or resid 82) and name HD*)((resid 125 and name HD2#) or (resid 136 and name HD1#)) 2.812 0.507 0.619
assign (resid 84 and (name HD* or name HG2#))((resid 125 and name HD2#) or (resid 136 and name HD1#)) 2.803 0.506 0.617 
assign (resid  136 and  name HD2# )(resid  122 and  name HD1# ) 4.500 0.500 999.0
assign (resid  136 and  name HD2# )(resid  122 and  name HD2# ) 4.500 0.500 999.0
assign (resid  136 and  name HD2# )(resid   94 and  name HE#  ) 3.206 0.530 0.648
assign ((resid  136 and  name HB1  ) or (resid   84 and  name HG11 ))(resid   92 and  name HD#  ) 4.336 0.717 0.876
assign ((resid  136 and  name HB2  ) or (resid   48 and  name HG*  ))(resid   92 and  name HD#  ) 3.960 0.655 0.800
assign ((resid  136 and  name HD1# ) or (resid  125 and  name HD2# ))(resid   92 and  name HD#  ) 3.307 0.547 0.668
assign (resid  136 and  name HD2# )(resid   92 and  name HD#  ) 3.419 0.551 0.673
assign ((resid  92  or resid  94) and  name HE#  )((resid  136 and  name HD1# ) or (resid 125 and name HD2#)) 3.217 0.580 0.708
assign ((resid  92  or resid  94) and  name HE#  )(resid  136 and  name HD2# ) 3.386 0.611 0.745
assign ((resid  136 or resid  87) and  name HA   )(resid   92 and  name HE#  ) 3.800 0.628 0.768
assign ((resid  136 and  name HB1  ) or (resid   84 and  name HG11 ))(resid   92 and  name HE#  ) 3.782 0.625 0.764
assign ((resid  136 and  name HB2  ) or (resid   48 and  name HG*  ))(resid   92 and  name HE#  ) 3.291 0.544 0.665
assign (resid  136 and  name HD2# )(resid   92 and  name HE#  ) 3.186 0.527 0.644
assign ((resid  136 and  name HB1  ) or (resid   85 and  name HG1  ))(resid   86 and  name HN   ) 4.338 0.615 0.717
assign (resid  136 and  name HB2  )(resid   86 and  name HN   ) 4.590 0.651 0.759
assign (resid  136 and  name HD1# )(resid   86 and  name HN   ) 4.748 0.673 0.785
assign (resid   86 and  name HN   )((resid  136 and  name HD1# ) or (resid 125 and name HD2#)) 3.911 0.706 0.861
assign (resid  136 and  name HD1# )(resid   85 and  name HA   ) 3.977 0.718 0.875
assign (resid   85 and  name HA   )((resid  136 and  name HD1# ) or (resid 125 and name HD2#)) 4.045 0.730 0.890
assign (resid  136 and  name HD2# )(resid   85 and  name HA   ) 4.388 0.792 0.966
assign (resid   85 and  name HA   )(resid  136 and  name HD2# ) 4.456 0.804 0.980
assign ((resid  125 and  name HD*  ) or (resid  136 and  name HD1# ))(resid   84 and  name HD*  ) 2.475 0.446 0.545
assign ((resid  125 and  name HD*  ) or (resid  136 and  name HD1# ))(resid   84 and  name HG2# ) 2.556 0.461 0.563
assign ((resid  125 and  name HD*  ) or (resid  136 and  name HD1# ))(resid   82 and  name HD1# ) 3.301 0.595 0.726
assign (resid  136 and  name HD2# )(resid   84 and  name HG2# ) 4.500 0.500 999.0
assign (resid  136 and  name HD2# )(resid   84 and  name HD*  ) 4.500 0.500 999.0

! D135
assign (resid  135 and  name HA   )(resid  135 and  name HN   ) 2.799 0.397 0.463
assign (resid  135 and  name HN   )(resid  135 and  name HA   ) 3.497 0.631 0.770
assign (resid  135 and  name HB1  )(resid  135 and  name HN   ) 2.348 0.333 0.388
assign (resid  135 and  name HB2  )(resid  135 and  name HN   ) 2.285 0.324 0.378
assign (resid  134 and  name HA   )(resid  135 and  name HN   ) 2.168 0.307 0.358
assign (resid  135 and  name HN   )(resid  134 and  name HA   ) 2.395 0.432 0.527
assign (resid  134 and  name HB1  )(resid  135 and  name HN   ) 2.643 0.375 0.437
assign (resid  134 and  name HB2  )(resid  135 and  name HN   ) 2.856 0.405 0.472
assign (resid  122 and  name HD1# )(resid  135 and  name HA   ) 3.412 0.616 0.751
assign (resid  135 and  name HA   )(resid  122 and  name HD1# ) 3.949 0.712 0.869
assign (resid  135 and  name HA   )(resid  122 and  name HD2# ) 3.945 0.712 0.868

! P134
assign (resid  134 and  name HD2  )(resid  134 and  name HA   ) 3.233 0.583 0.712
assign (resid  133 and  name HG2# )(resid  134 and  name HD1  ) 2.327 0.420 0.512
assign (resid  134 and  name HD1  )(resid  133 and  name HG2# ) 3.059 0.552 0.673
assign (resid  134 and  name HD1  )(resid  133 and  name HA   ) 2.085 0.376 0.459
assign (resid  134 and  name HD1  )(resid  133 and  name HB   ) 3.383 0.610 0.744
assign (resid  134 and  name HD1  )(resid  129 and  name HD2# ) 3.539 0.639 0.779
assign ((resid  134 and  name HD2  ) or (resid  133 and  name HA   ))(resid  129 and  name HD2# ) 3.011 0.543 0.663
assign (resid  134 and  name HD1  )(resid  125 and  name HD2# ) 4.007 0.723 0.882

! T133
assign (resid  133 and  name HN   )(resid  133 and  name HA   ) 2.796 0.504 0.615
assign (resid  133 and  name HN   )(resid  133 and  name HB   ) 2.609 0.471 0.574
assign (resid  133 and  name HG2# )(resid  133 and  name HN   ) 3.794 0.538 0.627
assign ((resid  132 or resid  123) and  name HN   )((resid  133 or resid  124) and  name HN   ) 2.558 0.363 0.423
assign ((resid  133 or resid  124) and  name HN   )((resid  132 or resid  123) and  name HN   ) 3.039 0.431 0.502
assign (resid  132 and  name HA   )(resid  133 and  name HN   ) 3.287 0.466 0.543
assign (resid  133 and  name HN   )(resid  132 and  name HA   ) 3.354 0.605 0.738
assign (resid  131 and  name HA   )(resid  133 and  name HN   ) 3.818 0.541 0.631
assign (resid  133 and  name HN   )(resid  131 and  name HA   ) 3.204 0.578 0.705
assign (resid  131 and  name HB#  )(resid  133 and  name HN   ) 4.790 0.679 0.792
assign (resid  133 and  name HG2# )(resid  130 and  name HN   ) 5.000 0.500 999.0
assign (resid  133 and  name HG2# )(resid  129 and  name HN   ) 4.008 0.568 0.663
assign (resid  129 and  name HB1  )(resid  133 and  name HN   ) 4.298 0.609 0.710
assign (resid  129 and  name HD*  )(resid  133 and  name HN   ) 3.780 0.536 0.624
assign (resid  129 and  name HD*  )(resid  133 and  name HA   ) 2.494 0.450 0.549
assign (resid  133 and  name HG2# )(resid  126 and  name HN   ) 3.782 0.536 0.625
assign (resid  126 and  name HN   )(resid  133 and  name HG2# ) 3.613 0.652 0.795
assign (resid  126 and  name HA   )(resid  133 and  name HG2# ) 3.486 0.629 0.767
assign (resid  133 and  name HG2# )(resid  126 and  name HA   ) 3.691 0.666 0.812
assign (resid  126 and  name HB#  )(resid  133 and  name HG2# ) 3.338 0.602 0.735
assign (resid  125 and  name HG   )(resid  133 and  name HG2# ) 3.317 0.598 0.730
assign ((resid 125 and  name HD*  ) or (resid 136 and name HD1#))(resid  133 and  name HA   ) 3.123 0.563 0.687
assign ((resid 125 and  name HD*  ) or (resid 136 and name HD1#))(resid  133 and  name HG2# ) 2.723 0.492 0.600
assign ((resid  122 and  name HA   ) or (resid  133 and  name HB   ))(resid  122 and  name HD1# ) 3.361 0.606 0.740
assign ((resid  122 and  name HA   ) or (resid  133 and  name HB   ))(resid  122 and  name HD2# ) 2.743 0.495 0.604
assign (resid  133 and  name HG2# )(resid  125 and  name HD1# ) 3.678 0.664 0.810
assign (resid  133 and  name HG2# )(resid  122 and  name HD1# ) 2.824 0.527 0.644
assign (resid  133 and  name HG2# )(resid  122 and  name HD2# ) 3.487 0.629 0.767

! S132
assign (resid  132 and  name HN   )(resid  132 and  name HA   ) 3.387 0.611 0.746
assign (resid  132 and  name HN   )(resid  131 and  name HA   ) 3.540 0.639 0.779
assign (resid  131 and  name HB#  )(resid  132 and  name HN   ) 2.806 0.398 0.464
assign ((resid  129 or resid  122) and  name HD*  )((resid  132 or resid 123) and  name HN   ) 3.708 0.526 0.613
assign (resid  129 and  name HD*  )(resid  132 and  name HB1  ) 3.376 0.609 0.743

! A131
assign (resid  131 and  name HA   )(resid  131 and  name HN   ) 2.993 0.424 0.495
assign (resid  131 and  name HB#  )(resid  131 and  name HN   ) 2.613 0.371 0.432
assign (resid  130 and  name HA1  )(resid  131 and  name HN   ) 3.528 0.500 0.583
assign (resid  130 and  name HA2  )(resid  131 and  name HN   ) 3.973 0.563 0.657


! G130
assign (resid  130 and  name HA1  )(resid  130 and  name HN   ) 2.509 0.356 0.415
assign (resid  130 and  name HN   )(resid  130 and  name HA1  ) 2.498 0.451 0.550
assign (resid  130 and  name HA2  )(resid  130 and  name HN   ) 2.359 0.334 0.390
assign (resid  130 and  name HN   )(resid  130 and  name HA2  ) 2.377 0.429 0.523
assign (resid  129 and  name HN   )(resid  130 and  name HN   ) 2.665 0.378 0.440
assign (resid  130 and  name HN   )(resid  129 and  name HN   ) 2.444 0.347 0.404
assign (resid  129 and  name HA   )(resid  130 and  name HN   ) 3.379 0.479 0.559
assign (resid  129 and  name HB1  )(resid  130 and  name HN   ) 3.872 0.549 0.640
assign (resid  129 and  name HB2  )(resid  130 and  name HN   ) 4.771 0.677 0.789
assign ((resid  129 and  name HG   ) or (resid  126 and  name HG1  ))(resid  130 and  name HN   ) 3.763 0.534 0.622
assign ((resid  129 and  name HD*  ) or (resid  127 and  name HG1# ))(resid  130 and  name HN   ) 4.125 0.585 0.682
assign (resid  130 and  name HA1  )(resid  129 and  name HN   ) 3.787 0.537 0.626
assign (resid  130 and  name HA2  )(resid  129 and  name HN   ) 4.271 0.606 0.706
assign (resid  128 and  name HN   )(resid  130 and  name HN   ) 3.845 0.545 0.636
assign (resid  130 and  name HN   )(resid  128 and  name HN   ) 3.866 0.548 0.639
assign (resid  128 and  name HA   )(resid  130 and  name HN   ) 4.101 0.582 0.678
assign (resid  128 and  name HB1  )(resid  130 and  name HN   ) 5.257 0.745 0.869
assign (resid  127 and  name HN   )(resid  130 and  name HN   ) 4.685 0.664 0.774
assign (resid  127 and  name HA   )(resid  130 and  name HN   ) 5.424 0.769 0.897
assign (resid  126 and  name HA   )(resid  130 and  name HN   ) 2.872 0.407 0.475
assign (resid  130 and  name HN   )(resid  126 and  name HA   ) 2.840 0.512 0.625
assign (resid  126 and  name HD1  )(resid  130 and  name HN   ) 5.296 0.751 0.875

! L129
assign (resid  129 and  name HA   )(resid  129 and  name HN   ) 2.708 0.384 0.448
assign (resid  129 and  name HN   )(resid  129 and  name HA   ) 2.786 0.503 0.613
assign (resid  129 and  name HB1  )(resid  129 and  name HN   ) 2.597 0.368 0.429
assign (resid  129 and  name HB2  )(resid  129 and  name HN   ) 3.010 0.427 0.498
assign (resid  129 and  name HG   )(resid  129 and  name HN   ) 2.620 0.372 0.433
assign (resid  129 and  name HD*  )(resid  129 and  name HN   ) 2.784 0.395 0.460
assign (resid  129 and  name HN   )(resid  129 and  name HD1# ) 3.685 0.665 0.811
assign (resid  129 and  name HN   )(resid  129 and  name HD2# ) 4.010 0.723 0.883
assign (resid  129 and  name HG   )(resid  129 and  name HA   ) 2.972 0.536 0.654
assign (resid  129 and  name HD*  )(resid  129 and  name HA   ) 2.142 0.386 0.471
assign (resid  129 and  name HA   )(resid  129 and  name HD1# ) 2.145 0.387 0.472
assign (resid  129 and  name HA   )(resid  129 and  name HD2# ) 3.527 0.636 0.776
assign (resid  128 and  name HN   )(resid  129 and  name HN   ) 2.309 0.327 0.382
assign (resid  129 and  name HN   )(resid  128 and  name HN   ) 2.462 0.349 0.407
assign (resid  128 and  name HA   )(resid  129 and  name HN   ) 3.031 0.430 0.501
assign (resid  129 and  name HN   )(resid  128 and  name HA   ) 3.256 0.587 0.717
assign (resid  128 and  name HB1  )(resid  129 and  name HN   ) 2.787 0.395 0.461
assign (resid  128 and  name HB2  )(resid  129 and  name HN   ) 3.114 0.442 0.515
assign (resid  128 and  name HD#  )(resid  129 and  name HN   ) 3.371 0.478 0.557
assign (resid  129 and  name HN   )(resid  128 and  name HD#  ) 3.795 0.627 0.767
assign (resid  129 and  name HB1  )(resid  128 and  name HN   ) 4.023 0.571 0.664
assign (resid  129 and  name HG   )(resid  128 and  name HN   ) 4.227 0.600 0.699
assign (resid  128 and  name HB1  )(resid  129 and  name HD1# ) 3.668 0.662 0.807
assign (resid  127 and  name HN   )(resid  129 and  name HN   ) 4.395 0.623 0.726
assign (resid  129 and  name HN   )(resid  127 and  name HN   ) 4.269 0.605 0.706
assign (resid  126 and  name HA   )(resid  129 and  name HN   ) 2.814 0.399 0.465 
assign (resid  129 and  name HN   )(resid  126 and  name HA   ) 3.198 0.577 0.704
assign (resid  125 and  name HD*  )(resid  129 and  name HN   ) 3.884 0.551 0.642
assign (((resid 129 or resid 125) and  name HB1) or (resid 82 and (name HB1 or name HG)))(resid 96 and name HD#) 3.513 0.581 0.710
assign (((resid 129 or resid 125) and  name HB1) or (resid 82 and (name HB1 or name HG)))(resid 96 and name HE#) 3.456 0.571 0.698
assign (((resid 129 or resid 125) and  name HB1) or (resid 82 and (name HB1 or name HG)))(resid 96 and name HZ ) 4.132 0.683 0.835
assign ((resid  129 and  name HG   ) or (resid   53 and  name HB2  ))(resid   96 and  name HD#  ) 3.360 0.555 0.679
assign ((resid  129 and  name HG   ) or (resid   53 and  name HB2  ))(resid   96 and  name HE#  ) 3.217 0.532 0.650
assign ((resid  129 and  name HG   ) or (resid   53 and  name HB2  ))(resid   96 and  name HZ   ) 3.334 0.551 0.674
assign (resid   96 and  (name HZ   or name HE#  ))(resid  129 and  name HD1# ) 3.017 0.544 0.664
assign ((resid  129 and  name HD*  ) or (resid   82 and  name HD1# ))(resid   96 and  name HD#  ) 2.836 0.469 0.573
assign ((resid  129 and  name HD*  ) or (resid   82 and  name HD1# ))(resid   96 and  name HE#  ) 2.918 0.482 0.590
assign ((resid  129 and  name HD*  ) or (resid   82 and  name HD1# ))(resid   96 and  name HZ   ) 3.191 0.527 0.645
assign ((resid  129 and  name HG   ) or (resid   84 and  name HB   ))(resid   94 and  name HE#  ) 3.807 0.629 0.769
assign ((resid  129 and  name HD*  ) or (resid   82 and  name HD1# ))(resid   94 and  name HD#  ) 3.340 0.552 0.675
assign ((resid  129 and  name HD*  ) or (resid   82 and  name HD1# ))(resid   94 and  name HE#  ) 2.834 0.468 0.573
assign (resid   53 and  name HD1# )(resid  129 and  name HD1# ) 2.699 0.487 0.594
assign (resid   52 and  name HG#  )(resid  129 and  name HD1# ) 2.843 0.513 0.626

! Y128
assign ((resid  128 or resid  125) and  name HA   )(resid  128 and  name HN   ) 2.497 0.354 0.413
assign (resid  128 and  name HN   )(resid  128 and  name HA   ) 2.830 0.511 0.623
assign (resid  128 and  name HN   )(resid  125 and  name HA   ) 3.406 0.614 0.750
assign (resid  128 and  name HB1  )(resid  128 and  name HN   ) 2.797 0.397 0.462
assign (resid  128 and  name HB2  )(resid  128 and  name HN   ) 3.186 0.452 0.527
assign (resid  128 and  (name HD#  or name HE#  ))(resid  128 and  name HN   ) 2.548 0.361 0.421
assign ((resid  128 and  name HN   ) or (resid   96 and  name HD#  ))(resid  128 and  name HD#  ) 2.912 0.481 0.588
assign ((resid  128 and  name HN   ) or (resid   96 and  name HD#  ))(resid  128 and  name HE#  ) 3.412 0.564 0.689
assign (resid  128 and  name HD#  )(resid  128 and  name HA   ) 3.292 0.594 0.725
assign ((resid  128 or resid  125) and  name HA   )(resid  128 and  name HD#  ) 2.735 0.452 0.553
assign ((resid  128 or resid  125) and  name HA   )(resid  128 and  name HE#  ) 3.430 0.567 0.693
assign (resid  127 and  name HN   )(resid  128 and  name HN   ) 2.915 0.413 0.482
assign (resid  128 and  name HN   )(resid  127 and  name HN   ) 2.909 0.413 0.481 
assign (resid  127 and  name HA   )(resid  128 and  name HN   ) 3.470 0.492 0.574
assign (resid  128 and  name HN   )(resid  127 and  name HA   ) 3.803 0.686 0.837
assign (resid  127 and  name HB   )(resid  128 and  name HN   ) 2.665 0.378 0.441
assign ((resid  127 and  name HG1# ) or ((resid  129 or resid   82 )and  name HD*  ))(resid  128 and  name HN ) 2.975 0.422 0.492
assign (resid  128 and  name HN   )(resid  127 and  name HG1# ) 3.761 0.679 0.828
assign ((resid  127 and  name HG2# ) or (resid  125 and  name HD*  ))(resid  128 and  name HN   ) 3.263 0.463 0.540
assign (resid  128 and  name HN   )(resid  127 and  name HG2# ) 3.876 0.699 0.853
assign (resid  128 and  name HD#  )(resid  127 and  name HN   ) 4.368 0.619 0.722 
assign (resid  127 and  name HN   )(resid  128 and  name HD#  ) 4.060 0.671 0.821 
assign (resid  127 and  name HN   )(resid  128 and  name HE#  ) 4.925 0.814 0.995 
assign ((resid 127 and name HG1# ) or (resid 129 and name HD* ))(resid  128 and  name HA   ) 3.794 0.684 0.835
assign ((resid  128 or resid  125) and  name HA   )(resid  127 and  name HG1# ) 4.062 0.733 0.894
assign ((resid  127 and  name HG2# ) or (resid  125 and  name HD*  ))(resid  128 and  name HA   ) 3.358 0.606 0.739
assign ((resid  128 or resid  125) and  name HA   )(resid  127 and  name HG2# ) 3.836 0.692 0.844
assign (resid  127 and  name HB   )(resid  128 and  name HD#  ) 3.954 0.654 0.799
assign (resid  127 and  name HB   )(resid  128 and  name HE#  ) 4.077 0.674 0.824
assign (resid  128 and  (name HD#  or  name HE#  ))(resid  127 and  name HG1# ) 4.434 0.800 0.976
assign (resid  128 and  (name HD#  or  name HE#  ))(resid  127 and  name HG2# ) 4.516 0.815 0.994
assign ((resid 127 and name HG1#) or (resid 82 and name HD1#))(resid 128 and name HD#) 3.299 0.545 0.667 
assign (resid  128 and  (name HD#  or  name HE#  ))(resid   82 and  name HD1# ) 3.183 0.574 0.701
assign ((resid  127 and  name HG2# ) or (resid  125 and  name HD1# ))(resid  128 and  name HD#  ) 3.310 0.547 0.669
assign ((resid 127 and name HG1#) or (resid 82 and name HD1#))(resid 128 and name HE#) 3.180 0.526 0.643
assign ((resid  127 and  name HG2# ) or (resid  125 and  name HD1# ))(resid  128 and  name HE#  ) 3.738 0.618 0.756
assign (resid  126 and  name HN   )(resid  128 and  name HN   ) 4.553 0.646 0.753
assign (resid  128 and  (name HD#  or  name HE#  ))(resid  125 and  name HN   ) 4.616 0.654 0.763
assign (resid  125 and  name HN   )(resid  128 and  name HD#  ) 5.232 0.865 1.057
assign ((resid  124 or resid   96) and  name HB1  )(resid  128 and  name HD#  ) 4.199 0.694 0.848
assign ((resid  124 or resid   96) and  name HB1  )(resid  128 and  name HE#  ) 4.058 0.671 0.820
assign ((resid  128 and name  HB2  ) or (resid   96 and  name HB1  ))(resid  128 and  name HE#  ) 3.708 0.613 0.749
assign ((resid  128 or resid  125) and  name HA   )(resid   96 and  name HD#  ) 4.820 0.797 0.974
assign ((resid  128 or resid  125) and  name HA   )(resid   96 and  name HE#  ) 3.989 0.659 0.806
assign ((resid  128 or resid  125) and  name HA   )(resid   96 and  name HZ   ) 4.055 0.670 0.819
assign (resid  128 and  name HB2  )(resid   96 and  name HD#  ) 4.204 0.634 0.775
assign ((resid  128 and  name HB1  ) or (resid   96 and  name HB2  ))(resid   96 and  name HE#  ) 3.798 0.628 0.768
assign (resid  128 and  name HB2  )(resid   96 and  name HE#  ) 4.120 0.681 0.833
assign ((resid  128 and  name HB1  ) or (resid   96 and  name HB2  ))(resid   96 and  name HZ   ) 3.980 0.658 0.804
assign (resid  128 and  name HB2  )(resid   96 and  name HZ   ) 4.131 0.683 0.835
assign ((resid 128 and  (name HD#  or  name HE#  )) or (resid   96 and  name  HZ  ))(resid  125 and  name HD2# ) 3.514 0.634 0.773
assign (resid   96 and  (name HE#  or  name HZ   ))(resid  128 and  name HD#  ) 3.508 0.580 0.709
assign (resid   96 and  (name HE#  or  name HZ   ))(resid  128 and  name HE#  ) 3.652 0.604 0.738
assign ((resid  128 and  (name HD#  or  name HE#  )) or (resid 94 and name HE#))(resid   96 and  name HD#  ) 3.237 0.535 0.654
assign ((resid  128 and  (name HD#  or  name HE#  )) or (resid 94 and name HE#))(resid   96 and  name HE#  ) 3.209 0.530 0.648
assign ((resid  128 and  (name HD# or name HE#)) or (resid 94 and (name HE# or name HD#)))(resid 96 and name HZ) 3.318 0.548 0.671
assign (resid   53 and  name HD1# )(resid  128 and  name HD#  ) 4.033 0.667 0.815

! V127
assign (resid  127 and  name HA   )(resid  127 and  name HN   ) 2.776 0.394 0.459
assign (resid  127 and  name HN   )(resid  127 and  name HA   ) 3.003 0.542 0.661
assign ((resid  127 and  name HB   ) or (resid  126 and  name HB#  ))(resid  127 and  name HN   ) 2.356 0.334 0.389
assign (resid  127 and  name HN   )(resid  127 and  name HB   ) 2.495 0.450 0.549
assign (resid  127 and  name HG1# )(resid  127 and  name HN   ) 2.328 0.330 0.385
assign (resid  127 and  name HN   )(resid  127 and  name HG1# ) 2.633 0.475 0.580
assign (resid  127 and  name HG2# )(resid  127 and  name HN   ) 3.177 0.451 0.525
assign (resid  127 and  name HN   )(resid  127 and  name HG2# ) 3.642 0.657 0.802
assign (resid  127 and  name HG1# )(resid  127 and  name HA   ) 2.499 0.451 0.550
assign (resid  127 and  name HA   )(resid  127 and  name HG1# ) 2.637 0.476 0.580
assign (resid  127 and  name HG2# )(resid  127 and  name HA   ) 2.649 0.478 0.583
assign (resid  127 and  name HA   )(resid  127 and  name HG2# ) 2.838 0.512 0.625
assign (resid  126 and  name HN   )(resid  127 and  name HN   ) 3.174 0.450 0.525
assign (resid  127 and  name HN   )(resid  126 and  name HN   ) 3.082 0.437 0.509
assign (resid  126 and  name HA   )(resid  127 and  name HN   ) 3.817 0.541 0.631
assign (resid  127 and  name HN   )(resid  126 and  name HA   ) 3.714 0.670 0.817
assign (resid  126 and  name HG2  )(resid  127 and  name HN   ) 4.531 0.642 0.749
assign (resid  127 and  name HG1# )(resid  126 and  name HN   ) 3.778 0.536 0.625
assign (resid  125 and  name HN   )(resid  127 and  name HN   ) 4.856 0.689 0.803
assign (resid  127 and  name HN   )(resid  125 and  name HN   ) 4.897 0.694 0.809
assign ((resid  125 or resid  123) and  name HA   )(resid  127 and  name HN   ) 3.739 0.530 0.618
assign (resid  124 and  name HA   )(resid  127 and  name HN   ) 3.825 0.542 0.632
assign (resid  127 and  name HN   )(resid  124 and  name HA   ) 3.758 0.678 0.827
assign (resid  127 and  name HG1# )(resid  124 and  name HA   ) 2.724 0.491 0.600
assign (resid  124 and  name HA   )(resid  127 and  name HG1# ) 3.109 0.561 0.684

! R126
assign (resid  126 and  name HA   )(resid  126 and  name HN   ) 2.895 0.411 0.479
assign (resid  126 and  name HN   )(resid  126 and  name HA   ) 2.943 0.531 0.648
assign (resid  126 and  name HB#  )(resid  126 and  name HN   ) 2.325 0.330 0.384
assign (resid  126 and  name HD2  )(resid  126 and  name HN   ) 4.390 0.623 0.726
assign ((resid  125 or resid  124) and  name HN   )(resid  126 and  name HN   ) 2.790 0.396 0.461
assign (resid  126 and  name HN   )(resid  125 and  name HN   ) 2.732 0.387 0.452
assign ((resid  125 or resid  123) and  name HA   )(resid  126 and  name HN   ) 2.886 0.409 0.477
assign (resid  126 and  name HN   )(resid  125 and  name HA   ) 3.660 0.660 0.805
assign (resid  125 and  name HB2  )(resid  126 and  name HN   ) 3.751 0.532 0.620
assign (resid  125 and  name HD*  )(resid  126 and  name HN   ) 4.237 0.601 0.700
assign (resid  124 and  name HA   )(resid  126 and  name HN   ) 5.077 0.720 0.839
assign (resid  126 and  name HN   )(resid  123 and  name HA   ) 3.410 0.615 0.751
assign (resid  126 and  name HB#  )(resid  123 and  name HA   ) 2.841 0.513 0.625
assign (resid  122 and  name HA   )(resid  126 and  name HN   ) 3.853 0.546 0.637
assign (resid  126 and  name HN   )(resid  126 and  name HA   ) 3.556 0.641 0.783

! L125
assign ((resid  125 or resid  123) and  name HA   )(resid  125 and  name HN   ) 2.692 0.382 0.445
assign (resid  125 and  name HN   )(resid  125 and  name HA   ) 2.970 0.536 0.654
assign (resid  125 and  name HB1  )(resid  125 and  name HN   ) 2.672 0.379 0.442
assign (resid  125 and  name HB2  )(resid  125 and  name HN   ) 2.625 0.372 0.434
assign (resid  125 and  name HG   )(resid  125 and  name HN   ) 3.828 0.543 0.633
assign (resid  125 and  name HD*  )(resid  125 and  name HN   ) 3.234 0.459 0.535
assign (resid  125 and  name HG   )(resid  125 and  name HA   ) 3.218 0.581 0.708
assign (resid  125 and  name HN   )(resid  125 and  name HD1# ) 3.981 0.718 0.876
assign (resid  125 and  name HN   )((resid  125 and  name HD2# ) or (resid 136 and name HD1#)) 4.216 0.761 0.928
assign (resid  125 and  name HA   )(resid  125 and  name HD1# ) 2.552 0.460 0.562
assign (resid  125 and  name HA   )((resid  125 and  name HD2# ) or (resid 136 and name HD1#)) 3.939 0.709 0.865
assign (resid  124 and  name HA   )(resid  125 and  name HN   ) 3.581 0.508 0.592
assign ((resid  124 or resid  125) and  name HN   )(resid  124 and  name HA   ) 2.907 0.524 0.640
assign ((resid  124 or resid  125) and  name HN   )(resid  122 and  name HA   ) 2.788 0.503 0.614
assign (resid  124 and  name HB1  )(resid  125 and  name HN   ) 3.090 0.438 0.511
assign (resid  124 and  name HB2  )(resid  125 and  name HN   ) 3.422 0.485 0.566
assign (resid  122 and  name HA   )(resid  125 and  name HN   ) 3.173 0.450 0.525
assign (resid  122 and  name HD*  )(resid  125 and  name HN   ) 3.642 0.516 0.602
assign (resid  122 and  name HA   )((resid 136 and name HD1#) or (resid 125 and name HD2#)) 3.305 0.596 0.727
assign (resid  125 and  name HD*  )(resid  122 and  name HA   ) 2.931 0.529 0.645
assign (resid  125 and  name HB1  )(resid  122 and  name HA   ) 3.178 0.573 0.699
assign (resid  125 and  name HB2  )(resid  122 and  name HA   ) 3.529 0.637 0.777
assign ((resid  122 or resid   82) and  name HD*  )(resid  125 and  name HD1# ) 2.393 0.432 0.527
assign ((resid  125 and  name HD*  ) or (resid 136 and name HD1# ))(resid  122 and  name HD1# ) 2.987 0.539 0.657
assign ((resid  125 and  name HD*  ) or (resid 136 and name HD1# ))(resid  122 and  name HD2# ) 2.805 0.506 0.617
assign (resid  121 and  name HN   )(resid  125 and  name HN   ) 4.113 0.583 0.670
assign ((resid  125 or resid  124) and  name HN   )(resid  121 and  name HN   ) 3.412 0.484 0.564
assign (resid   96 and  (name HZ   or name HE#  ))(resid  125 and  name HD1# ) 2.747 0.496 0.605
assign (resid  125 and  name HD*  )(resid   96 and  name HD#  ) 3.647 0.603 0.737
assign (resid  125 and  name HD*  )(resid   96 and  name HE#  ) 2.797 0.462 0.565
assign (resid  125 and  name HD*  )(resid   96 and  name HZ   ) 2.774 0.459 0.561
assign (resid   84 and  (name HD*  or name HG2# ))(resid  125 and  name HN   ) 3.744 0.531 0.619
assign (resid   84 and  name HB   )(resid  125 and  name HD1# ) 3.621 0.653 0.798
assign (resid   84 and  (name HD*  or name HG2# ))(resid  125 and  name HD1# ) 2.814 0.508 0.619
assign (resid  125 and  name HB1  )(resid   84 and  name HD*  ) 3.084 0.556 0.679

! D124
assign (resid  124 and  name HA   )(resid  124 and  name HN   ) 2.722 0.386 0.450
assign (resid  124 and  name HB1  )(resid  124 and  name HN   ) 2.598 0.368 0.429
assign (resid  124 and  name HB2  )(resid  124 and  name HN   ) 2.839 0.403 0.469
assign (resid  123 and  (name HA   or name HB1  ))(resid  124 and  name HN   ) 3.035 0.430 0.502
assign (resid  124 and  name HN   )(resid  123 and  name HA   ) 3.488 0.629 0.768
assign (resid  123 and  name HB2  )(resid  124 and  name HN   ) 2.760 0.391 0.456
assign (resid  121 and  name HN   )(resid  124 and  name HN   ) 3.421 0.485 0.566
assign (resid  124 and  name HA   )(resid  121 and  name HN   ) 4.693 0.665 0.776
assign (resid  124 and  name HB1  )(resid  121 and  name HN   ) 2.889 0.410 0.478
assign (resid  124 and  name HB2  )(resid  121 and  name HN   ) 3.264 0.463 0.540
assign (resid  124 and  name HB1  )(resid  120 and  name HB1  ) 2.549 0.460 0.561
assign (resid  120 and  name HB1  )(resid  124 and  name HB1  ) 2.591 0.467 0.570
assign (resid  124 and  name HB2  )(resid  120 and  name HB1  ) 2.735 0.493 0.602
assign (resid  120 and  name HB1  )(resid  124 and  name HB2  ) 2.863 0.516 0.630

! S123
assign (resid  123 and  name HN   )(resid  123 and  name HA   ) 3.487 0.629 0.768
assign (resid  123 and  name HN   )(resid  123 and  name HB1  ) 3.050 0.550 0.671
assign (resid  123 and  name HN   )(resid  123 and  name HB2  ) 2.596 0.468 0.571
assign (resid  123 and  name HN   )(resid  122 and  name HN   ) 3.505 0.497 0.580

! L122
assign (resid  122 and  name HA   )(resid  122 and  name HN   ) 2.909 0.412 0.481
assign (resid  122 and  name HN   )(resid  122 and  name HA   ) 3.227 0.582 0.710
assign (resid  122 and  (name HB1  or name HG   ))(resid  122 and  name HN   ) 2.296 0.326 0.380
assign (resid  122 and  name HB2  )(resid  122 and  name HN   ) 3.020 0.428 0.499
assign (resid  122 and  name HD2# )(resid  122 and  name HN   ) 3.824 0.542 0.632
assign (resid  122 and  name HN   )(resid  122 and  name HD2# ) 4.466 0.806 0.983
assign (resid  122 and  name HD*  )(resid  122 and  name HA   ) 2.804 0.506 0.617
assign (resid  121 and  name HN   )(resid  122 and  name HN   ) 4.339 0.615 0.717
assign (resid  122 and  name HN   )(resid  121 and  name HN   ) 4.487 0.636 0.742
assign (resid  121 and  name HA   )(resid  122 and  name HN   ) 2.653 0.376 0.439 
assign (resid  122 and  name HN   )(resid  121 and  name HA   ) 2.397 0.432 0.528
assign (resid  121 and  name HB   )(resid  122 and  name HN   ) 2.501 0.354 0.413
assign (resid  121 and  name HG2# )(resid  122 and  name HN   ) 3.257 0.462 0.538
assign (resid   84 and  (name HD*  or name HG2# ))(resid  122 and  name HN   ) 3.613 0.512 0.597
assign (resid   84 and  (name HD*  or name HG2# ))(resid  122 and  name HA   ) 2.931 0.529 0.645
assign (resid   84 and  (name HD*  or name HG2# ))(resid  122 and  name HD1# ) 3.530 0.637 0.777
assign (resid   84 and  (name HD*  or name HG2# ))(resid  122 and  name HD2# ) 3.279 0.592 0.722

! T121
assign (resid  121 and  name HA   )(resid  121 and  name HN   ) 3.463 0.491 0.572
assign (resid  121 and  name HN   )(resid  121 and  name HA   ) 3.387 0.611 0.746
assign (resid  121 and  name HN   )(resid  121 and  name HB   ) 3.003 0.542 0.661
assign (resid  121 and  name HG2# )(resid  121 and  name HN   ) 2.732 0.387 0.452
assign (resid  121 and  name HN   )(resid  121 and  name HG2# ) 3.113 0.562 0.685
assign (resid  121 and  name HG2# )(resid  121 and  name HA   ) 2.396 0.432 0.527
assign (resid  121 and  name HA   )(resid  121 and  name HG2# ) 2.780 0.502 0.612
assign (resid  120 and  name HN   )(resid  121 and  name HN   ) 4.478 0.635 0.740
assign (resid  121 and  name HN   )(resid  120 and  name HN   ) 4.849 0.687 0.801
assign (resid  120 and  name HA   )(resid  121 and  name HN   ) 2.278 0.323 0.377
assign (resid  121 and  name HN   )(resid  120 and  name HA   ) 2.507 0.452 0.552
assign (resid  120 and  name HB1  )(resid  121 and  name HN   ) 2.618 0.371 0.433
assign (resid  121 and  name HN   )(resid  120 and  name HB1  ) 2.454 0.443 0.540
assign (resid  120 and  name HB2  )(resid  121 and  name HN   ) 3.235 0.459 0.535
assign (resid  121 and  name HN   )(resid  120 and  name HB2  ) 2.733 0.493 0.602
assign (resid  121 and  name HG2# )(resid  120 and  name HA   ) 3.211 0.579 0.707
assign (resid  120 and  name HA   )(resid  121 and  name HG2# ) 3.769 0.680 0.829
assign (resid   84 and  (name HD*  or name HG2# ))(resid  121 and  name HN   ) 3.925 0.557 0.649
assign (resid   84 and  (name HD*  or name HG2# ))(resid  121 and  name HA   ) 2.772 0.500 0.610
assign (resid  121 and  name HA   )(resid   84 and  name HG2# ) 3.219 0.581 0.709
assign (resid  121 and  name HG2# )(resid   84 and  name HG2# ) 3.982 0.718 0.876
assign (resid  121 and  name HA   )(resid   84 and  name HD*  ) 3.999 0.721 0.880

! S120
assign (resid  120 and  name HA   )(resid  120 and  name HN   ) 3.189 0.452 0.527
assign (resid  120 and  name HN   )(resid  120 and  name HA   ) 3.065 0.553 0.675
assign (resid  120 and  name HB1  )(resid  120 and  name HN   ) 3.370 0.478 0.557
assign (resid  120 and  name HN   )(resid  120 and  name HB1  ) 3.050 0.550 0.671 
assign (resid  120 and  name HB2  )(resid  120 and  name HN   ) 2.945 0.418 0.487
assign (resid  120 and  name HN   )(resid  120 and  name HB2  ) 2.488 0.449 0.548
assign ((resid  119 or resid   84) and  name HN   )(resid  120 and  name HN   ) 4.926 0.699 0.814
assign ((resid  120 or resid   92) and  name HN   )(resid   84 and  name HN   ) 3.513 0.498 0.581
assign (resid  119 and  name HA   )(resid  120 and  name HN   ) 2.110 0.299 0.349
assign (resid  120 and  name HN   )(resid  119 and  name HA   ) 2.117 0.382 0.466
assign (resid  119 and  (name HB#  or name HG2  ))(resid  120 and  name HN   ) 2.955 0.419 0.488
assign (resid  119 and  name HG1  )(resid  120 and  name HN   ) 4.503 0.638 0.744
assign (resid   84 and  name HA   )(resid  120 and  name HN   ) 3.824 0.542 0.632
assign (resid  120 and  name HN   )(resid   84 and  name HA   ) 3.248 0.586 0.715
assign (resid   84 and  name HG2# )(resid  120 and  name HN   ) 4.576 0.649 0.756
assign (resid   84 and  (name HD*  or name HG2# ))(resid  120 and  name HA   ) 3.986 0.719 0.877
assign (resid   84 and  (name HD*  or name HG2# ))(resid  120 and  name HB1  ) 2.833 0.511 0.624
assign (resid   84 and  (name HD*  or name HG2# ))(resid  120 and  name HB2  ) 2.707 0.488 0.596
assign (resid  120 and  name HB1  )(resid   84 and  name HG11 ) 3.089 0.557 0.680
assign (resid   84 and  name HG11 )(resid  120 and  name HB1  ) 2.770 0.500 0.610
assign (resid  120 and  name HB1  )(resid   84 and  name HD*  ) 3.546 0.640 0.781
assign (resid  120 and  name HB2  )(resid   84 and  name HD*  ) 3.302 0.596 0.727
assign (resid  120 and  name HB1  )(resid   84 and  name HG2# ) 3.572 0.644 0.786
assign (resid  120 and  name HB2  )(resid   84 and  name HG2# ) 4.709 0.849 1.036
assign (resid   83 and  name HB1  )(resid  120 and  name HN   ) 3.671 0.521 0.607
assign (resid   83 and  name HB2  )(resid  120 and  name HN   ) 4.677 0.664 0.773
assign (resid   83 and  name HE3  )(resid  120 and  name HN   ) 4.513 0.746 0.912
assign ((resid  120 and  name HN   ) or (resid   83 and  name HN))(resid   83 and  name HE3  ) 4.027 0.666 0.814
assign ((resid   82 and  name HD*  ) or (resid  118 and  name HG*  ))(resid  120 and  name HA   ) 3.236 0.584 0.712
assign ((resid   82 and  name HD*  ) or (resid  118 and  name HG*  ))(resid  120 and  name HB1  ) 2.521 0.455 0.555
assign ((resid   82 and  name HD*  ) or (resid  118 and  name HG*  ))(resid  120 and  name HB2  ) 2.481 0.448 0.546

! Q119
assign (resid  119 and  (name HB#  or name HG2  ))(resid  119 and  name HN   ) 2.752 0.390 0.455
assign (resid  119 and  name HG1  )(resid  119 and  name HA   ) 3.423 0.617 0.753
assign (resid  119 and  (name HB#  or name HG2  ))(resid  119 and  name HE22 ) 3.034 0.430 0.503
assign (resid  119 and  name HG1  )(resid  119 and  name HE22 ) 3.363 0.477 0.556
assign (resid  119 and  (name HB#  or name HG2  ))(resid  119 and  name HE21 ) 2.747 0.390 0.455
assign (resid  119 and  name HE21 )(resid  119 and  name HA   ) 3.401 0.614 0.749
assign (resid  119 and  name HG1  )(resid  119 and  name HE21 ) 2.872 0.408 0.474
assign (resid  119 and  name HN   )(resid  118 and  name HA   ) 2.602 0.469 0.573
assign (resid  118 and  name HG*  )(resid  119 and  name HN   ) 3.446 0.489 0.570
assign (resid  119 and  name HN   )(resid  118 and  name HG1# ) 4.108 0.741 0.904
assign (resid  118 and  name HG*  )(resid  119 and  name HE21 ) 4.623 0.656 0.764
assign ((resid  119 or resid   84) and  name HN   )(resid   93 and  name HD#  ) 4.296 0.710 0.868
assign ((resid  119 or resid   84 or resid   82) and  name HN   )(resid   83 and  name HN   ) 3.366 0.477 0.556
assign (resid  119 and  name HA   )(resid   83 and  name HN   ) 3.128 0.444 0.517
assign (resid   83 and  name HB1  )(resid  119 and  name HA   ) 2.773 0.500 0.610
assign (resid   83 and  name HB2  )(resid  119 and  name HA   ) 3.154 0.569 0.694
assign (resid   83 and  name HE3  )(resid  119 and  name HA   ) 3.511 0.633 0.773
assign ((resid  119 or resid   39) and  name HA   )(resid   83 and  name HE3  ) 3.869 0.640 0.782
assign (resid  119 and  name HG1  )(resid   83 and  name HE3  ) 4.494 0.743 0.908
assign (resid  119 and  (name HB#  or  name HG2  ))(resid   83 and  name HE3  ) 3.568 0.590 0.721
assign ((resid  119 or resid   39) and  name HA   )(resid   83 and  name HZ3  ) 4.861 0.803 0.982
assign (resid  119 and  (name HB#  or  name HG2  ))(resid   83 and  name HZ3  ) 4.233 0.700 0.856
assign (resid  119 and  name HG1  )(resid   83 and  name HZ3  ) 4.625 0.765 0.935
assign (resid  119 and  name HG1  )(resid   83 and  name HH2  ) 4.659 0.770 0.942
assign (resid  119 and  (name HB#  or name HG2  ))(resid   39 and  name HB#  ) 4.500 0.500 999.0

! V118
assign (resid  118 and  name HA   )(resid  118 and  name HN   ) 2.797 0.397 0.462
assign (resid  118 and  name HN   )(resid  118 and  name HA   ) 3.043 0.549 0.670
assign (resid  118 and  name HB   )(resid  118 and  name HN   ) 2.380 0.337 0.393
assign (resid  118 and  name HG*  )(resid  118 and  name HN   ) 2.337 0.331 0.386
assign (resid  118 and  name HN   )(resid  118 and  name HG1# ) 3.087 0.557 0.680
assign (resid  118 and  name HN   )(resid  118 and  name HG2# ) 3.786 0.683 0.833
assign (resid  118 and  name HB   )(resid  118 and  name HA   ) 2.903 0.524 0.639
assign (resid  118 and  name HA   )(resid  118 and  name HG1# ) 2.958 0.534 0.651
assign (resid  118 and  name HA   )(resid  118 and  name HG2# ) 2.908 0.525 0.640
assign ((resid  117 or resid   83) and  name HN   )(resid  118 and  name HN   ) 3.410 0.484 0.564
assign ((resid  118 or resid  116 or resid   42) and  name HN   )(resid  117 and  name HN   ) 3.417 0.484 0.565
assign (resid  117 and  name HA   )(resid  118 and  name HN   ) 1.981 0.281 0.328
assign (resid  118 and  name HN   )(resid  117 and  name HA   ) 2.177 0.393 0.479
assign (resid  117 and  name HB1  )(resid  118 and  name HN   ) 3.408 0.483 0.563
assign (resid  117 and  name HB2  )(resid  118 and  name HN   ) 3.154 0.447 0.521
assign (resid  117 and  name HD1# )(resid  118 and  name HN   ) 3.154 0.447 0.521
assign (resid  118 and  name HN   )(resid  117 and  name HD1# ) 3.383 0.610 0.745
assign (resid  118 and  name HN   )(resid  117 and  name HD2# ) 4.031 0.727 0.887
assign (resid  118 and  name HN   )(resid   83 and  name HN   ) 3.247 0.460 0.537
assign (resid  118 and  name HB   )(resid   83 and  name HN   ) 3.624 0.514 0.599
assign (resid  118 and  name HB   )(resid   82 and  name HA   ) 2.740 0.494 0.603
assign ((resid  118 and  name HG*  ) or (resid  82 and  name HD2# ))(resid   83 and  name HN   ) 3.077 0.436 0.509
assign ((resid   82 or resid  117) and  name HA   )(resid  118 and  name HG1# ) 3.624 0.654 0.798
assign ((resid   82 or resid  117) and  name HA   )(resid  118 and  name HG2# ) 3.903 0.704 0.859
assign ((resid   82 and  name HD2# ) or (resid  118 and  name HG*  ))(resid   82 and  name HA   ) 2.337 0.422 0.514
assign (resid   81 and  name HN   )(resid  118 and  name HG1# ) 4.045 0.730 0.890
assign (resid  118 and  name HG*  )(resid   81 and  name HN   ) 3.637 0.516 0.601
assign ((resid   40 or resid  118) and  name HA   )(resid   40 and  name HN   ) 2.690 0.381 0.445
assign ((resid  40 or resid 118) and  name HA   )(resid   39 and  name HB#  ) 3.384 0.610 0.745
assign (resid   39 and  name HB#  )(resid  118 and  name HA   ) 4.000 0.500 999.0 
assign ((resid  118 and  name HG1# ) or (resid   38 and  name HG2# ))(resid   39 and  name HN   ) 3.127 0.443 0.517
assign ((resid 38 and (name HG2# or name HD*)) or (resid  118 and  name HG1# ))(resid   39 and  name HB#  ) 3.158 0.570 0.695

! L117
assign (resid  117 and  name HA   )(resid  117 and  name HN   ) 3.026 0.429 0.500
assign (resid  117 and  name HN   )(resid  117 and  name HA   ) 3.017 0.544 0.664
assign ((resid  117 and  name HB1  ) or (resid   81 and  name HB   ))(resid  117 and  name HN   ) 2.557 0.363 0.423
assign (resid  117 and  (name HB2  or name HG   ))(resid  117 and  name HN   ) 2.545 0.361 0.421
assign (resid  117 and  name HD1# )(resid  117 and  name HN   ) 3.677 0.521 0.608
assign (resid  117 and  name HD2# )(resid  117 and  name HN   ) 3.933 0.558 0.650
assign (resid  117 and  name HD1# )(resid  117 and  name HA   ) 2.514 0.453 0.553
assign (resid  117 and  name HA   )(resid  117 and  name HD1# ) 2.731 0.492 0.601
assign (resid  117 and  name HA   )(resid  117 and  name HD2# ) 3.764 0.679 0.829
assign ((resid  117 and  name HB1  ) or (resid   81 and  name HB   ))(resid  117 and  name HD1# ) 2.718 0.490 0.598
assign ((resid  117 or resid    80) and  name HN   )(resid  116 and  name HN   ) 3.855 0.547 0.637
assign (resid  116 and  name HA   )(resid  117 and  name HN   ) 2.077 0.295 0.343
assign (resid  117 and  name HN   )(resid  116 and  name HA   ) 2.144 0.387 0.472
assign (resid  116 and  name HB2  )(resid  117 and  name HN   ) 3.747 0.531 0.619
assign (resid  116 and  name HG1  )(resid  117 and  name HN   ) 3.693 0.524 0.610
assign ((resid  117 or resid   43) and  name HA   )(resid  115 and  name HB#  ) 3.459 0.624 0.761
assign (resid  115 and  name HB#  )(resid  117 and  name HD1# ) 3.116 0.562 0.686
assign (resid  117 and  name HD1# )(resid  115 and  name HB#  ) 2.960 0.534 0.651
assign ((resid  117 or resid   82 or resid   94) and  name HA   )(resid   93 and  name HD#  ) 4.300 0.711 0.869
assign (resid  117 and  name HD1# )(resid   93 and  name HD#  ) 3.239 0.535 0.654
assign (resid  117 and  name HD2# )(resid   93 and  name HD#  ) 3.921 0.648 0.792
assign (resid  117 and  name HD1# )(resid   93 and  name HE#  ) 3.434 0.568 0.694
assign (resid  117 and  name HD2# )(resid   93 and  name HE#  ) 3.512 0.581 0.710
assign (resid  117 and  name HD1# )(resid   93 and  name HZ   ) 4.516 0.746 0.913
assign (resid  117 and  name HD2# )(resid   93 and  name HZ   ) 4.403 0.728 0.890
assign ((resid  117 or resid   82 or resid   94) and  name HA   )(resid   83 and  name HE3  ) 4.563 0.754 0.922
assign (resid  117 and  name HB1  )(resid   83 and  name HE3  ) 3.805 0.629 0.769
assign ((resid 117 and (name HB2 or name HG)) or ((resid 39 or resid 40) and name HB#))(resid 83 and name HE3) 3.304 0.546 0.668
assign (((resid 117 or resid 37) and  name HB1 ) or (resid  38 and  name HB  ))(resid   83 and  name HZ3  ) 4.756 0.786 0.961
assign ((resid   39 and  name HB#  ) or (resid  117 and (name HB2  or name HG)))(resid  83 and  name HZ3  ) 4.172 0.690 0.843 
assign (resid  117 and  name HD1# )(resid   83 and  name HE3  ) 3.916 0.647 0.791
assign (resid   83 and  name HE3  )(resid  117 and  name HD2# ) 4.327 0.715 0.874
assign (resid  117 and  name HD2# )(resid   83 and  name HE3  ) 3.642 0.602 0.736
assign (resid  117 and  name HD1# )(resid   83 and  name HZ3  ) 5.057 0.836 1.022
assign (resid   83 and  name HZ3  )(resid  117 and  name HD2# ) 4.143 0.685 0.837
assign (resid  117 and  name HD2# )(resid   83 and  name HZ3  ) 4.204 0.695 0.850
assign (resid  117 and  name HD2# )(resid   83 and  name HH2  ) 5.365 0.887 1.084
assign (resid  117 and  name HD1# )(resid   81 and  name HN   ) 3.946 0.560 0.652
assign (resid   81 and  name HG1# )(resid  117 and  name HD1# ) 2.815 0.508 0.619
assign (resid   81 and  name HG2# )(resid  117 and  name HD1# ) 3.282 0.592 0.722
assign (resid   81 and  name HG1# )(resid  117 and  name HD2# ) 3.913 0.706 0.861
assign (resid  117 and  name HD2# )(resid   44 and  name HG1# ) 3.926 0.708 0.865
assign (resid  117 and  name HD2# )(resid   44 and  name HG2# ) 3.937 0.711 0.867
assign (resid  117 and  name HN   )(resid   42 and  name HN   ) 4.268 0.605 0.705
assign (resid  117 and  name HD2# )(resid   42 and  name HN   ) 4.244 0.602 0.702
assign (resid   42 and  name HB1  )(resid  117 and  name HD1# ) 3.518 0.635 0.774
assign (resid   42 and  name HB2  )(resid  117 and  name HD1# ) 3.893 0.702 0.857
assign (resid   42 and  name HB1  )(resid  117 and  name HD2# ) 3.515 0.634 0.774
assign (resid   42 and  name HB2  )(resid  117 and  name HD2# ) 3.521 0.635 0.775
assign (resid   42 and  name HD2  )(resid  117 and  name HN   ) 4.350 0.617 0.719
assign (resid  117 and  name HN   )(resid   42 and  name HD2  ) 3.992 0.660 0.807
assign ((resid  117 and  name HB1  ) or (resid   41 and  name HB   ))(resid   42 and  name HD2  ) 4.208 0.696 0.850
assign ((resid  117 and  (name HB2  or name HG   )) or (resid 40 and name HB#))(resid   42 and  name HD2  ) 3.357 0.555 0.679
assign (resid  117 and  name HD1# )(resid   42 and  name HD2  ) 4.338 0.717 0.877
assign (resid  117 and  name HD2# )(resid   42 and  name HD2  ) 3.589 0.593 0.725
assign ((resid  117 and  (name HB2  or name HG   )) or (resid 40 and name HB#))(resid   42 and  name HE1  ) 4.065 0.672 0.822
assign (resid  117 and  name HD1# )(resid   42 and  name HE1  ) 5.653 0.934 1.142
assign (resid  117 and  name HD2# )(resid   42 and  name HE1  ) 4.688 0.775 0.948
assign (resid  117 and  name HN   )(resid   41 and  name HA   ) 3.142 0.567 0.745
assign (resid  117 and  name HN   )(resid   40 and  name HN   ) 4.500 0.500 0.500
assign (resid   38 and  (name HG2# or name HD* ))(resid  117 and  name HD1# ) 4.500 0.500 999.0
assign (resid   38 and  (name HG2# or name HD* ))(resid  117 and  name HD2# ) 4.500 0.500 999.0

! K116
assign (resid  116 and  name HA   )(resid  116 and  name HN   ) 3.175 0.450 0.525
assign (resid  116 and  name HB1  )(resid  116 and  name HN   ) 2.701 0.383 0.446
assign (resid  116 and  name HB2  )(resid  116 and  name HN   ) 2.905 0.412 0.480
assign (resid  116 and  name HG1  )(resid  116 and  name HN   ) 3.476 0.493 0.575
assign ((resid  116 or resid   42) and  name HN   )(resid  115 and  name HN   ) 3.185 0.452 0.526
assign (resid  115 and  name HA   )(resid  116 and  name HN   ) 2.072 0.294 0.342
assign (resid  116 and  name HN   )(resid  115 and  name HA   ) 2.155 0.389 0.474
assign ((resid  115 and  name HB#  ) or (resid  79 and name HG12 ))(resid  116 and  name HN   ) 2.547 0.361 0.421
assign (resid  116 and  name HN   )(resid  115 and  name HB#  ) 2.933 0.529 0.646
assign ((resid  116 or resid    81) and  name HN   )(resid   80 and  name HN   ) 3.984 0.565 0.659
assign (resid  116 and  name HB1  )(resid   80 and  name HA   ) 2.715 0.490 0.598
assign (resid  116 and  name HB2  )(resid   80 and  name HA   ) 2.884 0.520 0.635
assign (resid   79 and  name HN   )(resid  116 and  name HN   ) 3.457 0.490 0.571
assign (resid  116 and  name HN   )(resid   79 and  name HN   ) 3.386 0.480 0.560
assign (resid   79 and  name HA   )(resid  116 and  name HN   ) 3.933 0.558 0.650
assign ((resid   79 and  name HD*  ) or (resid   81 and  name HG2# ))(resid  116 and  name HN   ) 3.776 0.535 0.624
assign (resid   78 and  name HB2  )(resid  116 and  name HN   ) 3.105 0.440 0.513

! A115
assign (resid  115 and  name HA   )(resid  115 and  name HN   ) 3.160 0.448 0.522
assign (resid  115 and  name HN   )(resid  115 and  name HA   ) 3.073 0.554 0.676
assign (resid  115 and  name HB#  )(resid  115 and  name HN   ) 2.641 0.374 0.437
assign (resid  115 and  name HN   )(resid  115 and  name HB#  ) 2.819 0.509 0.621
assign (resid  114 and  name HA   )(resid  115 and  name HN   ) 2.104 0.298 0.348
assign (resid  115 and  name HN   )(resid  114 and  name HA   ) 2.194 0.396 0.483
assign (resid  114 and  name HB1  )(resid  115 and  name HN   ) 3.122 0.443 0.516
assign (resid  114 and  name HA   )(resid  115 and  name HB#  ) 3.533 0.637 0.778
assign ((resid  114 or resid   78) and  name HB2  )(resid  115 and  name HN   ) 3.514 0.498 0.581
assign (resid  115 and  name HB#  )(resid  113 and  name HG2# ) 2.840 0.512 0.625
assign ((resid   81 and  name HG2# ) or (resid  79 and (name HD* or name HG12)))(resid 115 and name HB# ) 2.357 0.425 0.519
assign (resid  115 and  name HB#  )(resid   81 and  name HG2# ) 2.272 0.410 0.500
assign (resid   81 and  name HB   )(resid  115 and  name HB#  ) 3.075 0.555 0.677
assign ((resid   81  or resid   42) and  name HA   )(resid  115 and  name HB#  ) 3.736 0.674 0.822
assign (resid   79 and  name HN   )(resid  115 and  name HA   ) 2.428 0.438 0.534
assign (resid  115 and  name HA   )(resid   79 and  name HN   ) 2.404 0.341 0.397
assign (resid   79 and  name HG11 )(resid  115 and  name HB#  ) 3.051 0.550 0.672
assign ((resid   79 and  name HG12 ) or (resid  115 and  name HB#  ))(resid   79 and  name HN   ) 2.274 0.323 0.376 
assign ((resid   78 and  name HB1  ) or (resid   41 and  name HB   ))(resid  115 and  name HN   ) 4.046 0.573 0.669
assign (resid   78 and  name HB1  )(resid  115 and  name HA   ) 3.057 0.551 0.672
assign (resid   78 and  name HB2  )(resid  115 and  name HA   ) 2.744 0.495 0.604
assign (resid   44 and  name HN   )(resid  115 and  name HN   ) 3.776 0.535 0.624
assign (resid  115 and  name HN   )(resid   44 and  name HN   ) 3.853 0.546 0.637
assign (resid  115 and  name HB#  )(resid   44 and  name HN   ) 3.992 0.566 0.660
assign ((resid   79 or resid    44 or resid   78) and  name HA   )(resid  115 and  name HN   ) 4.024 0.571 0.666
assign ((resid   79 or resid    44 or resid   78) and  name HA   )(resid  115 and  name HB#  ) 3.520 0.635 0.775
assign (resid   44 and  name HG*  )(resid  115 and  name HN   ) 3.738 0.530 0.618
assign (resid   44 and  name HB   )(resid  115 and  name HB#  ) 3.481 0.628 0.766
assign ((resid 113 and (name HG2# or name HD* )) or (resid   44 and  name HG*  ))(resid  115 and  name HB#  ) 2.466 0.445 0.543
assign (resid  115 and  name HB#  )(resid   44 and  name HG1# ) 2.697 0.487 0.594
assign (resid  115 and  name HB#  )(resid   44 and  name HG2# ) 3.394 0.612 0.747
assign (resid  115 and  name HN   )(resid   43 and  name HA   ) 2.995 0.540 0.659
assign (resid   43 and  name HA   )(resid  115 and  name HN   ) 3.932 0.557 0.650
assign (resid   42 and  name HN   )(resid  115 and  name HN   ) 3.185 0.452 0.526
assign (resid  115 and  name HN   )(resid   42 and  name HN   ) 2.915 0.413 0.482
assign (resid   41 and  name HG2# )(resid  115 and  name HN   ) 3.057 0.434 0.505
assign (resid  115 and  name HN   )(resid   41 and  name HG2# ) 3.391 0.612 0.746

! P114
assign (resid  114 and  name HD1  )(resid  113 and  name HA   ) 2.517 0.454 0.554
assign (resid  114 and  name HD2  )(resid  113 and  name HA   ) 2.306 0.416 0.508
assign (resid  113 and  name HG12 )(resid  114 and  name HD1  ) 2.217 0.400 0.488
assign (resid  113 and  name HG12 )(resid  114 and  name HD2  ) 2.243 0.405 0.494
assign (resid  114 and  name HG1  )(resid  105 and  name HE#  ) 3.626 0.599 0.733
assign (resid  114 and  name HD2  )(resid  105 and  name HD#  ) 4.179 0.691 0.845
assign ((resid  114 and  name HD1  ) or (resid  101 and  name HD2  ))(resid  105 and  name HE#  ) 3.258 0.538 0.658
assign (resid  114 and  name HD2  )(resid  105 and  name HE#  ) 3.060 0.506 0.619
assign ((resid  105 or resid  102) and  name HE#  )(resid  114 and  name HD2  ) 2.392 0.432 0.527
assign ((resid  105 or resid  102) and  name HE#  )(resid  114 and  name HD2  ) 2.347 0.423 0.517
assign (resid  114 and  name HA   )(resid   44 and  name HN   ) 3.224 0.457 0.533
assign (resid   43 and  name HA   )(resid  114 and  name HA   ) 2.536 0.458 0.558
assign (resid  114 and  name HA   )(resid   43 and  name HA   ) 2.496 0.450 0.549
assign (resid  114 and  name HA   )(resid   42 and  name HN   ) 3.427 0.486 0.567
assign (resid   41 and  name HG2# )(resid  114 and  name HA   ) 3.091 0.558 0.680
assign (resid  114 and  name HA   )(resid   41 and  name HG2# ) 3.476 0.627 0.765

! I113
assign (resid  113 and  name HA   )(resid  113 and  name HN   ) 3.188 0.452 0.527
assign (resid  113 and  name HN   )(resid  113 and  name HA   ) 3.178 0.573 0.700
assign (resid  113 and  name HB   )(resid  113 and  name HN   ) 3.393 0.481 0.561
assign (resid  113 and  name HG2# )(resid  113 and  name HN   ) 2.345 0.332 0.388
assign (resid  113 and  name HG12 )(resid  113 and  name HN   ) 4.937 0.700 0.816
assign ((resid  112 and  name HG2# ) or (resid  113 and  name HG11 ))(resid  113 and  name HN   ) 2.899 0.411 0.479
assign (resid  113 and  name HN   )(resid  113 and  name HG2# ) 2.561 0.462 0.564
assign (resid  113 and  name HN   )(resid  113 and  name HD*  ) 4.327 0.781 0.952
assign (resid  113 and  name HG11 )(resid  113 and  name HA   ) 2.858 0.516 0.629
assign (resid  113 and  name HG12 )(resid  113 and  name HA   ) 2.858 0.516 0.629
assign (resid  113 and  name HG2# )(resid  113 and  name HA   ) 3.038 0.548 0.669
assign (resid  113 and  name HA   )(resid  113 and  name HG2# ) 3.024 0.545 0.666
assign (resid  113 and  name HA   )(resid  113 and  name HD*  ) 3.022 0.545 0.666
assign (resid  113 and  name HG11 )(resid  113 and  name HG2# ) 2.193 0.396 0.483
assign (resid  113 and  name HG11 )(resid  113 and  name HD*  ) 2.134 0.385 0.470
assign (resid  113 and  name HG12 )(resid  113 and  name HG2# ) 3.452 0.623 0.760
assign (resid  113 and  name HG12 )(resid  113 and  name HD*  ) 2.593 0.468 0.571
assign (resid  112 and  name HN   )(resid  113 and  name HN   ) 4.069 0.577 0.673
assign (resid  113 and  name HN   )(resid  112 and  name HN   ) 4.599 0.652 0.760
assign (resid  112 and  name HA   )(resid  113 and  name HN   ) 2.366 0.336 0.391
assign (resid  113 and  name HN   )(resid  112 and  name HA   ) 2.174 0.392 0.479
assign (resid  112 and  name HB   )(resid  113 and  name HN   ) 2.365 0.335 0.391
assign (resid  113 and  name HN   )(resid  112 and  name HG2# ) 3.389 0.611 0.746
assign (resid  112 and  name HG2# )(resid  113 and  name HN   ) 2.899 0.411 0.479
assign (resid  113 and  name HA   )(resid  105 and  name HD#  ) 3.372 0.557 0.681
assign (resid  113 and  name HA   )(resid  105 and  name HE#  ) 3.023 0.500 0.611
assign ((resid  113 and  name HG11 ) or (resid  76 and  name HG2# ))(resid  105 and  name HD#  ) 3.978 0.658 0.804
assign ((resid 113 and name HG11) or (resid 76 and name HG2#) or (resid 69 and name HG12))(resid 105 and name HE#) 3.34 0.55 0.68
assign (resid  113 and  name HG12 )(resid  105 and  name HD#  ) 3.709 0.613 0.750
assign (resid  113 and  name HG12 )(resid  105 and  name HE#  ) 3.537 0.585 0.715
assign ((resid  113 and  name HG2# ) or (resid  108 and  name HD2# ))(resid  105 and  name HD#  ) 3.886 0.642 0.785
assign ((resid  113 and  name HD*  ) or (resid   46 and  name HD1# ))(resid  105 and  name HD#  ) 2.767 0.457 0.559
assign ((resid  113 and  name HD*  ) or (resid   46 and  name HD1# ))(resid  105 and  name HE#  ) 3.282 0.543 0.663
assign ((resid 113 and name HD*) or (resid 46 and name HD*) or (resid 69 and name HG2#))(resid 105 and name HN ) 4.079 0.578 0.674
assign ((resid  105 or resid  102) and  name HB1  )(resid  113 and  name HD*  ) 2.867 0.517 0.631
assign (resid  105 and  name HB2  )(resid  113 and  name HD*  ) 3.626 0.654 0.799
assign (resid  105 and  name HD#  )(resid  113 and  name HD*  ) 2.925 0.528 0.644
assign ((resid  105 and  name HE#  ) or (resid  102 and  name HD#  ))(resid  113 and  name HD*  ) 3.134 0.565 0.690
assign ((resid   46 or resid  102) and  name HA   )(resid  113 and  name HG2# ) 3.428 0.618 0.755
assign ((resid   46 or resid  102) and  name HA   )(resid  113 and  name HD*  ) 2.624 0.473 0.578
assign ((resid 113 and name HD*) or (resid 46 and name HD2#))(resid 102 and name HN ) 4.320 0.613 0.714
assign ((resid 113 and name HD*) or (resid 46 and name HD2#))(resid 102 and name HA ) 2.536 0.457 0.558
assign ((resid 113 and name HD*) or (resid 46 and name HD2#))(resid 102 and name HD#) 3.280 0.542 0.663
assign (resid  113 and  name HG2# )(resid   79 and  name HN   ) 4.617 0.655 0.763
assign (resid  113 and  name HD*  )(resid   79 and  name HN   ) 4.397 0.624 0.727
assign (resid  113 and  name HD*  )(resid   79 and  name HG2# ) 3.158 0.570 0.695
assign (resid  113 and  name HD*  )(resid   79 and  name HD*  ) 3.000 0.542 0.660
assign (resid   46 and  name HN   )(resid  113 and  name HN   ) 3.884 0.551 0.642
assign ((resid  46 and  name HD1# ) or (resid  113 and (name HG2# or name HD*)))(resid   46 and  name HN   ) 2.680 0.380 0.443
assign (resid  113 and  name HG2# )(resid   46 and  name HN   ) 4.033 0.728 999.0
assign (resid  113 and  name HD*  )(resid   46 and  name HN   ) 3.894 0.702 999.0
assign (resid   46 and  name HA   )(resid  113 and  name HG2# ) 3.428 0.618 0.755
assign (resid   46 and  name HG   )(resid  113 and  name HG2# ) 4.449 0.803 999.0
assign (resid  113 and  name HN   )(resid   46 and  name HN   ) 3.620 0.513 0.598
assign (resid   44 and  name HN   )(resid  113 and  name HN   ) 2.834 0.402 0.468
assign (resid  113 and  name HN   )(resid   44 and  name HN   ) 2.907 0.412 0.481
assign (resid   44 and  name HN   )(resid  113 and  name HG2# ) 3.324 0.600 0.732
assign ((resid 113 and (name HG2# or name HD*)) or (resid  44 and  name HG1#))(resid   44 and  name HN   ) 2.590 0.367 0.428

! T112
assign (resid  112 and  name HA   )(resid  112 and  name HN   ) 3.471 0.492 0.574
assign (resid  112 and  name HN   )(resid  112 and  name HA   ) 2.844 0.513 0.626
assign (resid  112 and  name HB   )(resid  112 and  name HN   ) 4.409 0.625 0.729
assign (resid  112 and  name HG2# )(resid  112 and  name HN   ) 3.213 0.456 0.531
assign (resid  112 and  name HB   )(resid  112 and  name HA   ) 2.286 0.412 0.503
assign (resid  112 and  name HG2# )(resid  112 and  name HA   ) 2.263 0.408 0.498
assign (resid  111 and  name HN   )(resid  112 and  name HN   ) 3.086 0.438 0.510  
assign ((resid  112 or resid  110) and  name HN   )(resid  111 and  name HN   ) 2.599 0.369 0.430
assign (resid  111 and  name HA   )(resid  112 and  name HN   ) 3.615 0.513 0.598  
assign (resid  112 and  name HN   )(resid  111 and  name HA   ) 3.064 0.553 0.674  
assign (resid  112 and  name HG2# )(resid  111 and  name HA   ) 3.589 0.648 0.790  
assign ((resid  111 and  name HG2  ) or (resid  110 and  name HB1  ))(resid  112 and  name HN   ) 3.344 0.474 0.553  
assign (resid  111 and  name HB#  )(resid  112 and  name HN   ) 3.165 0.449 0.523  
assign ((resid  111 and  name HB#  ) or (resid   45 and  name HG1  ))(resid  112 and  name HG2# ) 2.943 0.531 0.648  
assign ((resid  111 and  name HG#  ) or (resid   45 and  name HB1  ))(resid  112 and  name HG2# ) 2.613 0.471 0.575  
assign (resid  110 and  name HA   )(resid  112 and  name HN   ) 3.747 0.531 0.619  
assign (resid  110 and  name HB2  )(resid  112 and  name HN   ) 4.141 0.587 0.684  
assign (resid  110 and  name HD#  )(resid  112 and  name HN   ) 4.714 0.669 0.779  
assign (resid  105 and  name HD#  )(resid  112 and  name HN   ) 4.915 0.697 0.813  
assign ((resid  112 or resid  110) and  name HN   )(resid  105 and  name HD#  ) 3.841 0.635 0.776  
assign (resid  112 and  name HA   )(resid   47 and  name HN   ) 4.051 0.574 0.670
assign ((resid  112 and  name HG2# ) or (resid   48 and  name HG*  ))(resid   47 and  name HN   ) 3.522 0.499 0.582
assign (resid   47 and  name HN   )(resid  112 and  name HG2# ) 4.767 0.860 1.049  
assign (resid   46 and  name HN   )(resid  112 and  name HN   ) 4.874 0.691 0.806  
assign (resid   46 and  name HD1# )(resid  112 and  name HN   ) 4.449 0.631 0.735  
assign (resid   46 and  name HN   )(resid  112 and  name HA   ) 2.535 0.457 0.558  
assign (resid  112 and  name HA   )(resid   46 and  name HN   ) 2.503 0.355 0.414  
assign (resid  112 and  name HB   )(resid   46 and  name HN   ) 3.973 0.563 0.657  
assign ((resid  112 and  name HG2# ) or (resid   48 and  name HG*  ))(resid   46 and  name HN   ) 2.763 0.392 0.457  
assign (resid   46 and  name HN   )(resid  112 and  name HG2# ) 3.539 0.638 0.779  
assign ((resid 46 and name HD1#) or (resid 44 and name HG2#))((resid 112 and name HG2#) or (resid 48 and name HG1#)) 2.84 0.51 0.63
assign ((resid  112 and  name HG2# ) or (resid    48 and  name HG*  ))(resid   46 and  name HD1# ) 3.304 0.596 0.727  
assign (resid   45 and  name HA   )(resid  112 and  name HA   ) 2.178 0.393 0.479  
assign (resid  112 and  name HA   )(resid   45 and  name HA   ) 2.127 0.383 0.468  
assign (resid   45 and  name HD2  )(resid  112 and  name HG2# ) 3.650 0.658 0.803  
assign (resid  112 and  name HB   )(resid   44 and  name HN   ) 3.260 0.462 0.539  
assign ((resid  112 and  name HG2# ) or (resid   48 and  name HG*  ))(resid   44 and  name HN   ) 3.822 0.542 0.632  
assign (resid  112 and  name HB   )(resid   43 and  name HD22 ) 4.836 0.686 0.799  
assign ((resid  112 and  name HG2# ) or (resid   48 and  name HG*  ))(resid   43 and  name HD22 ) 5.498 0.780 0.909  
assign (resid  112 and  name HB   )(resid   43 and  name HD21 ) 4.105 0.582 0.679  
assign ((resid  112 and  name HG2# ) or (resid   48 and  name HG*  ))(resid   43 and  name HD21 ) 4.683 0.664 0.774  

! E111
assign (resid  111 and  name HA   )(resid  111 and  name HN   ) 2.719 0.386 0.449
assign (resid  111 and  name HN   )(resid  111 and  name HA   ) 2.946 0.531 0.648
assign (resid  111 and  name HB#  )(resid  111 and  name HN   ) 2.543 0.361 0.420
assign (resid  111 and  name HG1  )(resid  111 and  name HN   ) 3.434 0.487 0.568
assign ((resid  111 and  name HG2  ) or (resid  110 and  name HB1  ))(resid  111 and  name HN   ) 3.002 0.426 0.496  
assign (resid  111 and  name HG1  )(resid  111 and  name HA   ) 2.941 0.531 0.647
assign (resid  111 and  name HG2  )(resid  111 and  name HA   ) 2.845 0.513 0.626
assign (resid  111 and  name HN   )(resid  110 and  name HN   ) 3.869 0.549 0.640
assign (resid  110 and  name HA   )(resid  111 and  name HN   ) 2.352 0.333 0.389
assign (resid  111 and  name HN   )(resid  110 and  name HA   ) 2.869 0.517 0.631
assign (resid  110 and  name HB2  )(resid  111 and  name HN   ) 3.736 0.530 0.618
assign (resid  110 and  name HD#  )(resid  111 and  name HN   ) 3.510 0.498 0.580
assign (resid  111 and  name HA   )(resid   46 and  name HN   ) 4.064 0.576 0.672
assign (resid   46 and  name HD1# )(resid  111 and  name HA   ) 3.512 0.634 0.773
assign (resid  111 and  name HA   )(resid   46 and  name HD1# ) 3.784 0.683 0.833

! R110
assign (resid  110 and  name HA   )(resid  110 and  name HN   ) 3.069 0.435 0.507
assign (resid  110 and  name HN   )(resid  110 and  name HA   ) 3.024 0.546 0.666
assign ((resid  110 and  name HB1  ) or (resid  109 and  (name HG#  or name HB#  )))(resid  110 and  name HN ) 2.791 0.396 0.461
assign (resid  110 and  name HB2  )(resid  110 and  name HN   ) 2.702 0.383 0.447
assign (resid  110 and  name HG#  )(resid  110 and  name HN   ) 2.841 0.403 0.470
assign (resid  110 and  name HD#  )(resid  110 and  name HN   ) 3.655 0.518 0.604
assign (resid  110 and  name HG#  )(resid  110 and  name HA   ) 3.313 0.592 0.729
assign (resid  110 and  name HD#  )(resid  110 and  name HA   ) 2.526 0.456 0.556
assign (resid  109 and  name HN   )(resid  110 and  name HN   ) 2.737 0.388 0.452
assign ((resid  110 or resid  108) and  name HN   )(resid  109 and  name HN   ) 2.514 0.357 0.416
assign (resid  109 and  name HA   )(resid  110 and  name HN   ) 2.662 0.377 0.440
assign (resid  110 and  name HN   )(resid  109 and  name HA   ) 2.663 0.480 0.586
assign (resid  105 and  name HA   )(resid  110 and  name HN   ) 4.445 0.630 0.735
assign (resid  105 and  name HB2  )(resid  110 and  name HN   ) 4.976 0.706 0.823
assign (resid  105 and  name HD#  )(resid  110 and  name HN   ) 3.827 0.543 0.633
assign ((resid 110 and name HG1) or (resid 101 and (name HB2 or name HG#)))(resid 105 and name HD#) 2.922 0.483 0.591
assign ((resid 110 and name HB2) or (resid 101 and name HB1))(resid 105 and name HD#) 2.979 0.492 0.602
assign ((resid  110 and  name HB1  ) or (resid   76 and  name HB   ))(resid  105 and  name HD#  ) 3.356 0.555 0.678
assign (resid  110 and  name HG2  )(resid  105 and  name HD#  ) 3.556 0.588 0.719
assign (resid  110 and  name HD#  )(resid  105 and  name HD#  ) 3.718 0.615 0.751
assign ((resid  110 and  name HB1  ) or (resid   76 and  name HB   ))(resid  105 and  name HE#  ) 4.313 0.713 0.872
assign ((resid  110 and  name HD#  ) or (resid  101 and  name HD1  ))(resid  105 and  name HE#  ) 3.721 0.615 0.752

! Q109
assign (resid  109 and  name HA   )(resid  109 and  name HN   ) 2.136 0.303 0.353
assign (resid  109 and  name HN   )(resid  109 and  name HA   ) 2.158 0.389 0.475
assign (resid  109 and  (name HG#  or name HB#  ))(resid  109 and  name HN   ) 2.532 0.359 0.418
assign (resid  109 and  name HN   )(resid  109 and  name HB1  ) 3.245 0.585 0.714
assign (resid  109 and  name HN   )(resid  109 and  name HB2  ) 3.267 0.589 0.719
assign (resid  109 and  name HA   )(resid  109 and  name HE22 ) 4.713 0.668 0.779
assign (resid  109 and  name HA   )(resid  109 and  name HE21 ) 4.817 0.683 0.796
assign (resid  109 and  name HN   )(resid  108 and  name HN   ) 2.807 0.398 0.464
assign (resid  108 and  name HA   )(resid  109 and  name HN   ) 3.463 0.491 0.572
assign (resid  109 and  name HN   )(resid  108 and  name HA   ) 3.324 0.600 0.732
assign (resid  108 and  (name HB1  or name HG   ))(resid  109 and  name HN   ) 3.576 0.507 0.591
assign (resid  108 and  name HB2  )(resid  109 and  name HN   ) 4.185 0.593 0.692
assign (resid  108 and  name HD1# )(resid  109 and  name HN   ) 5.410 0.767 0.894
assign (resid  107 and  name HN   )(resid  109 and  name HN   ) 4.654 0.660 0.769
assign (resid  109 and  name HN   )(resid  107 and  name HN   ) 4.603 0.653 0.761
assign (resid  109 and  name HN   )(resid  107 and  name HA   ) 3.581 0.646 0.788

! L108
assign (resid  108 and  name HA   )(resid  108 and  name HN   ) 2.784 0.395 0.460
assign (resid  108 and  name HN   )(resid  108 and  name HA   ) 2.888 0.521 0.636
assign (resid  108 and  (name HB1  or name HG   ))(resid  108 and  name HN   ) 2.356 0.334 0.389
assign (resid  108 and  name HB2  )(resid  108 and  name HN   ) 2.814 0.399 0.465
assign (resid  108 and  name HD1# )(resid  108 and  name HN   ) 3.060 0.434 0.506
assign (resid  108 and  name HN   )(resid  108 and  name HD1# ) 3.074 0.555 0.677 
assign (resid  108 and  name HD2# )(resid  108 and  name HN   ) 3.307 0.469 0.547
assign (resid  108 and  name HN   )(resid  108 and  name HD2# ) 3.356 0.605 0.739
assign (resid  108 and  name HD1# )(resid  108 and  name HA   ) 2.263 0.408 0.498
assign (resid  108 and  name HA   )(resid  108 and  name HD1# ) 2.115 0.381 0.465
assign (resid  108 and  name HD2# )(resid  108 and  name HA   ) 3.433 0.619 0.756
assign (resid  108 and  name HA   )(resid  108 and  name HD2# ) 3.368 0.608 0.741
assign (resid  107 and  name HN   )(resid  108 and  name HN   ) 2.865 0.406 0.474
assign ((resid  107 or resid  106) and  name HA   )(resid  108 and  name HN   ) 3.093 0.439 0.511
assign (resid  108 and  name HN   )(resid  107 and  name HA   ) 3.271 0.590 0.720
assign (resid  105 and  name HA   )(resid  108 and  name HN   ) 3.428 0.486 0.567
assign (resid  108 and  name HN   )(resid  105 and  name HA   ) 2.863 0.516 0.630
assign (resid  108 and  name HD2# )(resid  105 and  name HA   ) 2.558 0.461 0.563
assign (resid  105 and  name HA   )(resid  108 and  name HD2# ) 3.315 0.598 0.730
assign (resid  104 and  name HA   )(resid  108 and  name HN   ) 4.126 0.585 0.682
assign (resid   70 and  name HD#  )(resid  108 and  name HD1# ) 2.949 0.532 0.649
assign (resid  108 and  name HD2# )(resid   70 and  name HN   ) 3.917 0.555 0.648
assign (resid  108 and  name HD2# )(resid   70 and  name HA   ) 3.888 0.701 0.856
assign (resid   70 and  name HA   )(resid  108 and  name HD2# ) 3.592 0.648 0.791
assign ((resid 69 and name HG12) or (resid 66 and name HG2#) or (resid 108 and name HD1#))(resid 70 and name HN) 3.576 0.507 0.591 
assign (resid  108 and  name HD2# )(resid   69 and  name HN   ) 3.900 0.553 0.645
assign ((resid  69 and name HB) or (resid 70 and name HG2) or (resid 108 and name HB2))(resid 108 and name HD2#) 2.441 0.440 0.537
assign (resid   69 and  name HG2# )(resid  108 and  name HD2# ) 2.441 0.440 0.537
assign (resid  108 and  name HD2# )(resid   69 and  name HG2# ) 2.385 0.430 0.525
assign (resid  108 and  name HD2# )(resid   69 and  name HD*  ) 2.882 0.520 0.634
assign (resid  108 and  name HD2# )(resid   66 and  name HA   ) 2.978 0.537 0.655
assign (resid  108 and  name HD2# )(resid   66 and  name HN   ) 4.185 0.593 0.692
assign (resid   66 and  name HA   )(resid  108 and  name HD2# ) 2.923 0.527 0.643
assign (resid  108 and  name HN   )(resid   66 and  name HG1# ) 3.414 0.616 0.751
assign (resid   66 and  name HG1# )(resid  108 and  name HN   ) 4.092 0.580 0.676
assign (resid  108 and  name HD2# )(resid   66 and  name HG1# ) 3.674 0.663 0.809
assign (resid  108 and  name HD2# )(resid   66 and  name HG2# ) 3.414 0.616 0.751

! Q107
assign ((resid  107 or resid  106) and  name HA   )(resid  107 and  name HN   ) 2.504 0.355 0.414
assign (resid  107 and  name HN   )(resid  107 and  name HA   ) 2.909 0.252 0.640
assign (resid  107 and  name HB1  )(resid  107 and  name HN   ) 2.484 0.352 0.411
assign (resid  107 and  name HB2  )(resid  107 and  name HN   ) 2.624 0.372 0.434
assign (resid  107 and  name HG1  )(resid  107 and  name HN   ) 3.791 0.538 0.627
assign (resid  107 and  name HG1  )(resid  107 and  name HA   ) 2.812 0.507 0.619
assign (resid  106 and  name HN   )(resid  107 and  name HN   ) 2.927 0.415 0.484
assign (resid  107 and  name HN   )(resid  106 and  name HN   ) 2.855 0.405 0.472
assign (resid  107 and  name HN   )(resid  106 and  name HA   ) 3.298 0.595 0.726
assign (resid  106 and  name HB2  )(resid  107 and  name HN   ) 3.300 0.468 0.545
assign (resid  105 and  name HA   )(resid  107 and  name HN   ) 4.881 0.692 0.807
assign (resid  104 and  name HA   )(resid  107 and  name HN   ) 3.417 0.485 0.565
assign (resid  107 and  name HN   )(resid  104 and  name HA   ) 3.333 0.601 0.734
assign (resid  107 and  name HB1  )(resid  104 and  name HA   ) 3.091 0.558 0.680
assign (resid  107 and  name HB2  )(resid  104 and  name HA   ) 2.997 0.541 0.660
assign (resid  103 and  name HA   )(resid  107 and  name HN   ) 4.139 0.587 0.684
assign (resid   66 and  name HG1# )(resid  107 and  name HN   ) 4.275 0.606 0.707
assign ((resid   66 or resid   62) and  name HG2# )(resid  107 and  name HN   ) 4.343 0.606 0.707
assign (resid   66 and  name HG1# )(resid  107 and  name HE22 ) 4.926 0.698 0.814
assign ((resid  107 or resid   63) and  name HE22 )(resid   66 and  name HG1# ) 3.487 0.629 0.767
assign (resid   66 and  name HG2# )(resid  107 and  name HE22 ) 4.187 0.594 0.692
assign ((resid  107 or resid   63) and  name HE22 )((resid   66 or resid   62) and  name HG2# ) 3.458 0.624 0.761
assign (resid   66 and  name HG1# )(resid  107 and  name HE21 ) 4.946 0.701 0.816
assign ((resid   66 or resid   62) and  name HG2# )(resid  107 and  name HE21 ) 4.049 0.574 0.669
assign (resid  107 and  name HE21 )((resid   66 or resid   62) and  name HG2# ) 3.685 0.665 0.811
assign (resid  107 and  name HB2  )(resid   66 and  name HG1# ) 3.062 0.552 0.674
assign (resid  107 and  name HG1  )(resid   66 and  name HG1# ) 3.487 0.629 0.767

! Q106
assign (resid  106 and  name HA   )(resid  106 and  name HN   ) 2.758 0.391 0.456
assign (resid  106 and  name HN   )(resid  106 and  name HA   ) 3.285 0.593 0.723
assign (resid  106 and  (name HB1  or name HG2  ))(resid  106 and  name HN   ) 2.600 0.369 0.430
assign (resid  106 and  name HB2  )(resid  106 and  name HN   ) 2.672 0.379 0.442
assign (resid  106 and  name HG1  )(resid  106 and  name HN   ) 3.621 0.514 0.598
assign (resid  106 and  name HG1  )(resid  106 and  name HA   ) 2.812 0.507 0.619
assign (resid  106 and  name HE22 )(resid  106 and  name HN   ) 6.008 0.852 0.993
assign (resid  106 and  name HN   )(resid  106 and  name HE22 ) 5.340 0.757 0.883
assign (resid  106 and  name HA   )(resid  106 and  name HE22 ) 5.105 0.724 0.844
assign (resid  106 and  name HA   )(resid  106 and  name HE21 ) 4.374 0.620 0.723
assign (resid  106 and  name HB2  )(resid  106 and  name HE21 ) 4.523 0.642 0.748
assign (resid  106 and  (name HB1  or name HG2  ))(resid  106 and  name HE22 ) 3.083 0.437 0.509
assign (resid  106 and  (name HB1  or name HG2  ))(resid  106 and  name HE21 ) 2.958 0.419 0.489
assign (resid  106 and  name HG1  )(resid  106 and  name HE22 ) 3.469 0.492 0.573
assign (resid  106 and  name HG1  )(resid  106 and  name HE21 ) 3.273 0.464 0.541
assign (resid  105 and  name HN   )(resid  106 and  name HN   ) 2.996 0.425 0.495
assign (resid  106 and  name HN   )(resid  105 and  name HN   ) 3.073 0.436 0.508
assign (resid  105 and  name HA   )(resid  106 and  name HN   ) 3.865 0.548 0.639
assign (resid  105 and  name HB1  )(resid  106 and  name HN   ) 3.307 0.469 0.547
assign (resid  105 and  name HB2  )(resid  106 and  name HN   ) 3.625 0.514 0.599
assign (resid  105 and  name HD#  )(resid  106 and  name HN   ) 4.107 0.582 0.679
assign (resid  106 and  name HN   )(resid  105 and  name HD#  ) 4.027 0.666 0.814
assign (resid  104 and  name HN   )(resid  106 and  name HN   ) 4.230 0.600 0.699
assign (resid  104 and  name HA   )(resid  106 and  name HN   ) 3.935 0.558 0.650
assign (resid  103 and  name HA   )(resid  106 and  name HN   ) 3.528 0.500 0.583
assign (resid  106 and  name HN   )(resid  103 and  name HA   ) 3.412 0.616 0.751
assign (resid  106 and  (name HB1  or name HG2  ))(resid  103 and  name HA   ) 3.050 0.550 0.671
assign (resid  106 and  name HB2  )(resid  103 and  name HA   ) 3.473 0.626 0.764
assign (resid  103 and  name HB#  )(resid  106 and  name HN   ) 4.641 0.658 0.767
assign ((resid  106 and  name HE22 ) or (resid  102 and  name HD#  ))(resid  103 and  name HA   ) 3.529 0.637 0.777
assign (resid  103 and  name HA   )(resid  106 and  name HE22 ) 4.407 0.625 0.728
assign (resid  103 and  name HB#  )(resid  106 and  name HE22 ) 4.764 0.676 0.788
assign ((resid  106 or resid  107) and  name HA   )(resid  102 and  name HD#  ) 4.503 0.744 0.910
assign ((resid  106 and  name HG1  ) or (resid   51 and  name HD2  ))(resid  102 and  name HD#  ) 3.889 0.643 0.786
assign ((resid  106 or resid  107) and  name HA   )(resid  102 and  name HE#  ) 4.584 0.758 0.926
assign ((resid  106 and  name HG1  ) or (resid   51 and  name HD2  ))(resid  102 and  name HE#  ) 3.623 0.599 0.732
assign (resid  106 and  name HE21 )(resid  102 and  name HE#  ) 4.186 0.692 0.846
assign (resid   46 and  name HD1# )(resid  106 and  name HN   ) 4.305 0.610 0.712
assign (resid  106 and  name HN   )(resid   46 and  name HD1# ) 3.942 0.711 0.868
assign (resid   46 and  name HD2# )(resid  106 and  name HN   ) 3.833 0.544 0.634
assign (resid  106 and  name HN   )(resid   46 and  name HD2# ) 4.271 0.770 0.940
assign (resid   46 and  name HD1# )(resid  106 and  name HA   ) 3.373 0.608 0.742
assign (resid  106 and  name HA   )(resid   46 and  name HD1# ) 3.205 0.578 0.705

! Y105
assign (resid  105 and  name HA   )(resid  105 and  name HN   ) 2.928 0.415 0.484
assign (resid  105 and  name HN   )(resid  105 and  name HA   ) 2.534 0.457 0.558
assign (resid  105 and  name HB1  )(resid  105 and  name HN   ) 2.499 0.354 0.413
assign (resid  105 and  name HB2  )(resid  105 and  name HN   ) 2.808 0.398 0.464
assign (resid  105 and  name HD#  )(resid  105 and  name HN   ) 2.503 0.355 0.414
assign (resid  105 and  name HN   )(resid  105 and  name HD#  ) 2.727 0.451 0.551
assign (resid  105 and  name HD#  )(resid  105 and  name HA   ) 2.900 0.523 0.638
assign (resid  105 and  name HA   )(resid  105 and  name HD#  ) 3.093 0.511 0.625
assign (resid  104 and  name HN   )(resid  105 and  name HN   ) 2.921 0.414 0.483
assign (resid  105 and  name HN   )(resid  104 and  name HN   ) 3.005 0.426 0.497
assign ((resid  104 or resid  102) and  name HA   )(resid  105 and  name HN   ) 3.075 0.436 0.508
assign (resid  104 and  name HB#  )(resid  105 and  name HN   ) 2.768 0.393 0.458
assign (resid  105 and  name HN   )(resid  104 and  name HB#  ) 2.977 0.537 0.655
assign ((resid  104 or resid  102) and  name HA   )(resid  105 and  name HD#  ) 3.630 0.600 0.734
assign (resid  104 and  name HB#  )(resid  105 and  name HD#  ) 3.823 0.632 0.773
assign (resid  103 and  name HN   )(resid  105 and  name HN   ) 4.639 0.658 0.767
assign (resid  103 and  name HN   )(resid  105 and  name HN   ) 4.175 0.592 0.690
assign (resid  105 and  name HB2  )(resid  102 and  name HA   ) 3.411 0.615 0.751
assign ((resid   76 and  name HG1# ) or (resid   62 and  name HG2#  ))(resid  105 and  name HN   ) 4.383 0.599 0.731
assign (resid   76 and  name HG1# )(resid  105 and  name HE#  ) 3.445 0.570 0.696
assign (resid  105 and  name HA   )(resid   69 and  name HD*  ) 3.665 0.661 0.807
assign ((resid   69 and  (name HD*  or name HG2#)) or (resid   46 and  name HD2#))(resid  105 and  name HD#  ) 3.021 0.499 0.611
assign ((resid   69 and  (name HD*  or name HG2#)) or (resid   46 and  name HD2#))(resid  105 and  name HE#  ) 2.732 0.452 0.552
assign ((resid  105 or resid  102) and  name HE#  )(resid   69 and  name HD*  ) 2.910 0.525 0.641

! A104
assign ((resid  104 or resid  101) and  name HA   )(resid  104 and  name HN   ) 2.667 0.378 0.441
assign (resid  104 and  name HN   )(resid  104 and  name HA   ) 2.993 0.540 0.659
assign (resid  104 and  name HB#  )(resid  104 and  name HN   ) 2.286 0.324 0.378
assign (resid  104 and  name HN   )(resid  104 and  name HB#  ) 2.413 0.435 0.531
assign (resid  103 and  name HN   )(resid  104 and  name HN   ) 2.945 0.417 0.487
assign (resid  104 and  name HN   )(resid  103 and  name HN   ) 2.866 0.406 0.473
assign (resid  103 and  name HA   )(resid  104 and  name HN   ) 3.370 0.478 0.557
assign (resid  104 and  name HN   )(resid  103 and  name HA   ) 3.431 0.619 0.755
assign (resid  103 and  name HB#  )(resid  104 and  name HN   ) 2.658 0.377 0.439
assign (resid  104 and  name HN   )(resid  103 and  name HB#  ) 2.998 0.541 0.660
assign (resid  104 and  name HN   )(resid  101 and  name HA   ) 3.208 0.579 0.706
assign (resid  104 and  name HB#  )(resid  101 and  name HA   ) 2.944 0.531 0.648
assign (resid   69 and  name HD*  )(resid  104 and  name HB#  ) 2.441 0.440 0.537
assign ((resid   69 and  name HB   ) or (resid  104 and  name HB#  ))(resid   69 and  name HD*  ) 2.313 0.417 0.509
assign ((resid   69 and  name HB   ) or (resid  104 and  name HB#  ))(resid   66 and  name HN   ) 3.007 0.426 0.497
assign (resid   66 and  name HG1# )(resid  104 and  name HN   ) 4.230 0.600 0.699
assign (resid   66 and  name HG1# )(resid  104 and  name HA   ) 2.417 0.436 0.532
assign ((resid   69 and  name HB   ) or (resid  104 and  name HB#  ))(resid   66 and  name HA   ) 2.784 0.502 0.613
assign ((resid  104 or resid   63) and  name HA   )(resid   66 and  name HG1# ) 2.328 0.420 0.512
assign (resid  104 and  name HB#  )(resid   66 and  name HG1# ) 2.370 0.428 0.522
assign (resid   66 and  name HG1# )(resid  104 and  name HB#  ) 2.312 0.417 0.509
assign ((resid   66 or resid   62) and  name HG2# )(resid  104 and  name HB#  ) 2.345 0.423 0.516
assign (resid   65 and  name HD2# )(resid  104 and  name HN   ) 4.442 0.630 0.734
assign (resid  104 and  name HB#  )(resid   65 and  name HN   ) 3.554 0.504 0.587
assign (resid   65 and  name HD2# )(resid  104 and  name HB#  ) 3.598 0.649 0.792
assign (resid   62 and  name HG2# )(resid  104 and  name HA   ) 2.530 0.456 0.557
assign (resid  104 and  name HA   )(resid   62 and  name HG2# ) 2.692 0.486 0.592
assign (resid  104 and  name HN   )(resid   62 and  name HG2# ) 3.509 0.633 0.772
assign ((resid   66 or resid   62) and  name HG2# )(resid  104 and  name HN   ) 2.959 0.420 0.489

! A103
assign ((resid  103 or resid  100) and  name HA   )(resid  103 and  name HN   ) 2.663 0.378 0.440
assign (resid  103 and  name HN   )(resid  103 and  name HA   ) 3.070 0.554 0.676
assign (resid  103 and  name HB#  )(resid  103 and  name HN   ) 2.286 0.324 0.378
assign (resid  103 and  name HN   )(resid  103 and  name HB#  ) 2.684 0.484 0.591
assign (resid  102 and  name HN   )(resid  103 and  name HN   ) 2.941 0.417 0.486
assign (resid  103 and  name HN   )(resid  102 and  name HN   ) 3.092 0.439 0.511
assign ((resid  102 or resid   99) and  name HA   )(resid  103 and  name HN   ) 3.423 0.485 0.566
assign (resid  102 and  name HB1  )(resid  103 and  name HN   ) 2.845 0.404 0.470
assign (resid  102 and  name HB2  )(resid  103 and  name HN   ) 3.354 0.476 0.554
assign (resid  102 and  name HD#  )(resid  103 and  name HN   ) 3.258 0.462 0.539
assign (resid  103 and  name HN   )(resid  102 and  name HD#  ) 3.416 0.565 0.690
assign (resid  103 and  name HN   )(resid  102 and  name HE#  ) 4.100 0.678 0.829
assign (resid  103 and  name HA   )(resid  102 and  name HD#  ) 3.351 0.554 0.677
assign (resid  103 and  name HA   )(resid  102 and  name HE#  ) 4.055 0.670 0.820
assign ((resid  103 and  name HB#  ) or (resid   46 and  name HB1  ))(resid  102 and  name HD#  ) 3.737 0.618 0.755
assign ((resid  103 and  name HB#  ) or (resid   46 and  name HB1  ))(resid  102 and  name HE#  ) 3.614 0.597 0.730
assign (resid  103 and  name HN   )(resid  100 and  name HA   ) 3.636 0.656 0.800
assign (resid  103 and  name HB#  )(resid  100 and  name HA   ) 2.754 0.497 0.606
assign (resid   66 and  name HG1# )(resid  103 and  name HB#  ) 4.048 0.730 0.891
assign (resid  103 and  name HB#  )(resid   66 and  name HG1# ) 3.499 0.631 0.770
assign (resid   62 and  name HG1# )(resid  103 and  name HN   ) 4.572 0.648 0.756
assign (resid   62 and  name HG2# )(resid  103 and  name HN   ) 4.492 0.637 0.743
assign (resid   62 and  name HG1# )(resid  103 and  name HB#  ) 2.512 0.453 0.553
assign (resid  103 and  name HB#  )(resid   62 and  name HG1# ) 2.273 0.410 0.500
assign (resid   62 and  name HG2# )(resid  103 and  name HB#  ) 2.693 0.486 0.593
assign (resid  103 and  name HB#  )(resid   62 and  name HG2# ) 2.538 0.458 0.559
assign ((resid   57 and  name HD1# ) or (resid   65 and  name HD2# ))(resid  103 and  name HN   ) 4.277 0.607 0.707
assign (resid   57 and  name HD2# )(resid  103 and  name HN   ) 4.401 0.624 0.727
assign (resid   57 and  name HD1# )(resid  103 and  name HB#  ) 2.684 0.484 0.591
assign ((resid 103 and name HB#) or (resid 57 and name HB1) or (resid 58 and name HN))(resid 57 and name HD1#) 2.251 0.406 0.495
assign (resid   57 and  name HD2# )(resid  103 and  name HB#  ) 3.408 0.615 0.750
assign ((resid 103 and name HB#) or (resid 57 and name HB1) or (resid 58 and name HN))(resid 57 and name HD2#) 2.529 0.456 0.557

! Y102
assign ((resid  102 or resid   99) and  name HA   )(resid  102 and  name HN   ) 2.819 0.400 0.466
assign (resid  102 and  name HN   )(resid  102 and  name HA   ) 2.931 0.529 0.645
assign (resid  102 and  name HB1  )(resid  102 and  name HN   ) 2.845 0.403 0.470
assign (resid  102 and  name HB2  )(resid  102 and  name HN   ) 2.856 0.405 0.472
assign (resid  102 and  name HD#  )(resid  102 and  name HN   ) 3.413 0.484 0.564
assign (resid  102 and  name HN   )(resid  102 and  name HD#  ) 3.555 0.588 0.718
assign (resid  102 and  name HD#  )(resid  102 and  name HA   ) 3.020 0.545 0.665
assign ((resid  102 or resid   99) and  name HA   )(resid  102 and  name HD#  ) 3.020 0.499 0.610
assign (resid  102 and  name HB1 )(resid  102 and  name HD#  ) 2.878 0.476 0.582
assign ((resid  102 and  name HB2 ) or (resid   99 and  name HB1  ))(resid  102 and  name HD#  ) 2.941 0.486 0.594
assign (resid  101 and  name HN   )(resid  102 and  name HN   ) 3.077 0.436 0.509
assign (resid  102 and  name HN   )(resid  101 and  name HN   ) 2.717 0.385 0.449
assign (resid  102 and  name HN   )(resid  101 and  name HA   ) 3.485 0.629 0.767
assign (resid  101 and  name HB1  )(resid  102 and  name HN   ) 3.539 0.502 0.585
assign (resid  101 and  name HB2  )(resid  102 and  name HN   ) 3.716 0.527 0.614
assign (resid  101 and  name HG2  )(resid  102 and  name HN   ) 3.902 0.553 0.645
assign (resid  100 and  name HA   )(resid  102 and  name HN   ) 4.238 0.601 0.701
assign (resid  102 and  (name HD#  or name HE#  ))(resid   79 and  name HD*  ) 4.096 0.641 0.812
assign (resid   57 and  name HD2# )(resid  102 and  name HD#  ) 4.913 0.812 0.993
assign ((resid   51 and  name HG1  ) or (resid   46 and  name HG   ))(resid  102 and  name HD#  ) 4.596 0.760 0.929
assign ((resid   51 and  name HG1  ) or (resid   46 and  name HG   ))(resid  102 and  name HE#  ) 4.062 0.671 0.821
assign ((resid   51 and  name HG2  ) or (resid   49 and  name HB2  ))(resid  102 and  name HD#  ) 4.335 0.717 0.876
assign ((resid   51 and  name HG2  ) or (resid   49 and  name HB2  ))(resid  102 and  name HE#  ) 3.651 0.604 0.738
assign (resid   49 and  name HD1# )(resid  102 and  name HD#  ) 2.970 0.491 0.600
assign (resid   49 and  name HD1# )(resid  102 and  name HE#  ) 2.840 0.470 0.574
assign ((resid   46 and  name HD1# ) or (resid   49 and  name HD2# ))(resid 102 and name HD#) 3.656 0.604 0.739
assign ((resid   46 and  name HD1# ) or (resid   49 and  name HD2# ))(resid 102 and name HE#) 3.804 0.629 0.769
assign (resid   46 and  name HD2# )(resid  102 and  name HE#  ) 3.565 0.589 0.720
assign ((resid  102 and  name HA   ) or (resid   45 and  name HD2  ))(resid   44 and  name HG1# ) 3.775 0.681 0.831
assign ((resid  102 and  name HA   ) or (resid   45 and  name HD2  ))(resid   44 and  name HG2# ) 3.697 0.667 0.814

! R101
assign (resid  101 and  name HN   )(resid  101 and  name HA   ) 3.068 0.554 0.675
assign (resid  101 and  name HB1  )(resid  101 and  name HA   ) 2.461 0.444 0.542
assign (resid  101 and  name HB2  )(resid  101 and  name HA   ) 2.953 0.533 0.650
assign (resid  101 and  name HG1  )(resid  101 and  name HA   ) 2.584 0.466 0.569
assign (resid  101 and  name HG2  )(resid  101 and  name HA   ) 2.953 0.533 0.650
assign (resid  101 and  name HD2  )(resid  101 and  name HA   ) 3.500 0.500 999.0
assign (resid  101 and  name HD1  )(resid  101 and  name HA   ) 3.500 0.500 999.0
assign (resid  100 and  name HN   )(resid  101 and  name HN   ) 3.188 0.452 0.527
assign (resid  100 and  name HA   )(resid  101 and  name HN   ) 3.201 0.454 0.529
assign (resid  101 and  name HB1  )(resid   98 and  name HA1  ) 3.500 0.500 999.0
assign (resid  101 and  name HB2  )(resid   98 and  name HA1  ) 3.500 0.500 999.0
assign (resid  101 and  name HB1  )(resid   98 and  name HA2  ) 3.500 0.500 999.0
assign (resid  101 and  name HB2  )(resid   98 and  name HA2  ) 3.500 0.500 999.0
assign (resid  101 and  name HG1  )(resid   98 and  name HA1  ) 3.500 0.500 999.0
assign (resid  101 and  name HG2  )(resid   98 and  name HA1  ) 3.500 0.500 999.0
assign (resid  101 and  name HG1  )(resid   98 and  name HA2  ) 3.500 0.500 999.0
assign (resid  101 and  name HG2  )(resid   98 and  name HA2  ) 3.500 0.500 999.0
assign (resid  101 and  name HD1  )(resid   98 and  name HA1  ) 3.500 0.500 999.0
assign (resid  101 and  name HD2  )(resid   98 and  name HA1  ) 3.500 0.500 999.0
assign (resid  101 and  name HD1  )(resid   98 and  name HA2  ) 3.500 0.500 999.0
assign (resid  101 and  name HD2  )(resid   98 and  name HA2  ) 3.500 0.500 999.0
assign (resid  101 and  name HB1  )(resid   79 and  name HG2# ) 2.823 0.509 0.621
assign (resid  101 and  name HB2  )(resid   79 and  name HG2# ) 3.040 0.548 0.669
assign (resid  101 and  name HG1  )(resid   79 and  name HG2# ) 3.500 0.500 999.0
assign (resid  101 and  name HG2  )(resid   79 and  name HG2# ) 3.500 0.500 999.0
assign (resid  101 and  name HD1  )(resid   79 and  name HG2# ) 3.500 0.500 999.0
assign (resid  101 and  name HD2  )(resid   79 and  name HG2# ) 3.213 0.580 0.707
assign (resid   79 and  name HG2# )(resid  101 and  name HD1  ) 3.542 0.639 0.779
assign (resid   79 and  name HG2# )(resid  101 and  name HD2  ) 3.374 0.609 0.742
assign ((resid  101 and  name HD1  ) or (resid   69 and  name HA   ))(resid   76 and  name HG1# ) 3.409 0.615 0.750
assign (resid   65 and  name HD2# )(resid  101 and  name HA   ) 2.734 0.493 0.602
assign (resid  101 and  name HA   )(resid   65 and  name HD2# ) 2.994 0.540 0.659
assign (resid  101 and  (name HG2  or name HB2  ))(resid   65 and  name HD2# ) 3.293 0.594 0.725

! H100
assign (resid  100 and  name HA   )(resid  100 and  name HN   ) 2.772 0.393 0.458
assign ((resid  100 and  name HB1  ) or (resid   62 and  name HA   ))(resid  100 and  name HN   ) 2.624 0.372 0.434
assign (resid  100 and  name HA   )(resid  100 and  name HD2  ) 3.576 0.591 0.723
assign (resid  100 and  name HB1  )(resid  100 and  name HA   ) 3.246 0.586 0.714
assign (((resid 100 or resid 58) and name HB2) or (resid 99 and name HB1))(resid 100 and name HD2) 3.307 0.547 0.668
assign (((resid 100 or resid 58) and name HB2) or (resid 99 and name HB1))(resid 100 and name HE1) 4.195 0.693 0.848
assign (((resid 100 or resid 58) and name HB2) or (resid 99 and name HB1))(resid 100 and name HN ) 2.572 0.365 0.435
assign (resid   99 and  name HN   )(resid  100 and  name HN   ) 2.935 0.416 0.485
assign (resid  100 and  name HN   )(resid   99 and  name HN   ) 3.440 0.488 0.569
assign (resid   99 and  name HA   )(resid  100 and  name HN   ) 3.364 0.477 0.556
assign (resid  100 and  name HN   )(resid   99 and  name HA   ) 3.409 0.615 0.750
assign (resid   99 and  name HB2  )(resid  100 and  name HN   ) 3.121 0.443 0.516
assign (resid   99 and  name HB2  )(resid  100 and  name HE1  ) 4.751 0.785 0.960
assign ((resid 56 and name HG2# ) or (resid 57 and name HB2) or (resid 62 and name HG2#))(resid 100 and name HE1) 4.160 0.688 0.840
assign ((resid 100 and  name HB1 ) or (resid   62 and  name HA   ))(resid   65 and  name HD2# ) 2.743 0.389 0.453
assign (resid   65 and  name HD2# )(resid  100 and  name HB2  ) 3.246 0.586 0.714
assign ((resid  100 or resid 58) and  name HB2  )(resid   65 and  name HD2# ) 3.018 0.544 0.664
assign (resid  100 and  name HD2  )(resid   62 and  name HN   ) 3.099 0.439 0.512
assign ((resid   62 and  name HN   ) or (resid  100 and  name HE1  ))(resid  100 and  name HD2  ) 3.026 0.500 0.611
assign (resid   62 and  name HB   )(resid  100 and  name HD2  ) 4.497 0.743 0.909
assign (resid   62 and  name HG1# )(resid  100 and  name HA   ) 2.887 0.521 0.635
assign (resid   62 and  name HG2# )(resid  100 and  name HA   ) 4.028 0.729 0.889
assign (resid  100 and  name HA   )(resid   62 and  name HG1# ) 2.881 0.519 0.634
assign (resid  100 and  name HB2  )(resid   62 and  name HG1# ) 3.440 0.621 0.757
assign (resid   62 and  name HA   )(resid  100 and  name HD2  ) 3.576 0.591 0.723
assign (resid  100 and  name HD2  )(resid   62 and  name HG1# ) 2.853 0.515 0.628
assign (resid   62 and  name HG1# )(resid  100 and  name HD2  ) 2.596 0.429 0.525
assign ((resid   56 and  name HG1# ) or (resid   61 and  (name HG2  or name HD1  )))(resid  100 and  name HD2  ) 3.987 0.659 0.806
assign (resid  100 and  name HD2  )(resid   61 and  name HN   ) 3.847 0.546 0.636
assign (resid   61 and  name HN   )(resid  100 and  name HD2  ) 3.768 0.623 0.762
assign (resid   61 and  name HA   )(resid  100 and  name HD2  ) 4.327 0.716 0.874
assign (resid   61 and  name HB1  )(resid  100 and  name HD2  ) 3.082 0.509 0.623
assign (resid   61 and  name HB2  )(resid  100 and  name HD2  ) 3.097 0.512 0.626
assign ((resid   58 and  name HN   ) or (resid   57 and  name HB1))(resid  100 and  name HD2  ) 3.354 0.554 0.678 
assign ((resid   58 and  name HN   ) or (resid   57 and  name HB1))(resid  100 and  name HE1  ) 3.471 0.574 0.701 
assign (resid   58 and  name HB1  )(resid  100 and  name HD2  ) 3.986 0.659 0.806
assign (resid   58 and  name HB1  )(resid  100 and  name HE1  ) 4.684 0.774 0.947
assign (resid   57 and  name HA   )(resid  100 and  name HD2  ) 3.858 0.683 0.780 
assign (resid  100 and  name HE1  )(resid   57 and  name HN   ) 4.403 0.624 0.728
assign (resid   57 and  name HA   )(resid  100 and  name HE1  ) 3.427 0.566 0.693
assign (resid  100 and  name HE1  )(resid   57 and  name HA   ) 3.208 0.579 0.706
assign (resid   57 and  name HD2# )(resid  100 and  name HN   ) 3.530 0.501 0.583
assign (resid  100 and  name HA   )(resid   57 and  name HD1# ) 3.430 0.619 0.755
assign (resid   57 and  name HD2# )(resid  100 and  name HA   ) 3.041 0.549 0.669
assign (resid  100 and  name HA   )(resid   57 and  name HD2# ) 2.847 0.514 0.627
assign (resid   57 and  name HD1# )(resid  100 and  name HD2  ) 4.434 0.733 0.896
assign (resid   57 and  name HD2# )(resid  100 and  name HD2  ) 3.410 0.564 0.689
assign (resid   57 and  name HD2# )(resid  100 and  name HE1  ) 3.522 0.582 0.712
assign (resid   55 and  name HB#  )(resid  100 and  name HE1  ) 4.737 0.783 0.958

! C99
assign (resid   99 and  name HA   )(resid   99 and  name HN   ) 2.790 0.396 0.461
assign (resid   99 and  name HN   )(resid   99 and  name HA   ) 2.871 0.518 0.632
assign (resid   99 and  name HB1  )(resid   99 and  name HN   ) 2.771 0.393 0.458
assign (resid   99 and  name HB2  )(resid   99 and  name HN   ) 3.070 0.426 0.496
assign (resid   98 and  name HN   )(resid   99 and  name HN   ) 3.444 0.488 0.569
assign (resid   99 and  name HN   )(resid   98 and  name HN   ) 2.982 0.423 0.493
assign (resid   98 and  name HA1  )(resid   99 and  name HN   ) 3.770 0.535 0.624
assign (resid   98 and  name HA2  )(resid   99 and  name HN   ) 3.614 0.512 0.597
assign (resid   97 and  name HA1  )(resid   99 and  name HN   ) 3.483 0.494 0.576
assign (resid   97 and  name HA2  )(resid   99 and  name HN   ) 3.868 0.548 0.639
assign ((resid   99 and  name HA   ) or (resid   55 and  name HB#  ))(resid   57 and  name HD2# ) 3.465 0.625 0.763
assign (resid   99 and  name HB1  )(resid   57 and  name HD2# ) 2.962 0.534 0.652
assign (resid   99 and  name HB2  )(resid   57 and  name HD2# ) 3.542 0.639 0.780

! G98
assign (resid   98 and  name HA1  )(resid   98 and  name HN   ) 2.752 0.390 0.455
assign (resid   98 and  name HA2  )(resid   98 and  name HN   ) 2.674 0.379 0.442
assign (resid   98 and  name HN   )(resid   98 and  name HA2  ) 2.677 0.483 0.589
assign (resid   97 and  name HN   )(resid   98 and  name HN   ) 4.230 0.600 0.699
assign ((resid   98 or resid   42) and  name HN   )(resid   97 and  name HN   ) 4.089 0.580 0.676
assign (resid   97 and  name HA1  )(resid   98 and  name HN   ) 2.576 0.365 0.426
assign (resid   98 and  name HN   )(resid   97 and  name HA1  ) 2.728 0.492 0.600
assign (resid   97 and  name HA2  )(resid   98 and  name HN   ) 2.423 0.344 0.401
assign (resid   98 and  name HN   )(resid   97 and  name HA2  ) 2.518 0.454 0.554
assign (resid   79 and  name HG2# )(resid   98 and  name HN   ) 3.736 0.530 0.618
assign (resid   79 and  name HG2# )(resid   98 and  name HA1  ) 2.473 0.446 0.544
assign (resid   98 and  name HA1  )(resid   79 and  name HG2# ) 3.059 0.552 0.673
assign (resid   79 and  name HG2# )(resid   98 and  name HA2  ) 2.229 0.402 0.491
assign (resid   98 and  name HA2  )(resid   79 and  name HG2# ) 2.855 0.515 0.628

! G97
assign (resid   97 and  name HA1  )(resid   97 and  name HN   ) 2.538 0.360 0.420
assign (resid   97 and  name HN   )(resid   97 and  name HA1  ) 2.608 0.470 0.574
assign (resid   97 and  name HA2  )(resid   97 and  name HN   ) 2.605 0.369 0.431
assign (resid   97 and  name HN   )(resid   97 and  name HA2  ) 2.763 0.498 0.608
assign (resid   96 and  name HN   )(resid   97 and  name HN   ) 2.918 0.414 0.483
assign (resid   97 and  name HN   )(resid   96 and  name HN   ) 2.895 0.411 0.480
assign (resid   96 and  name HA   )(resid   97 and  name HN   ) 2.838 0.402 0.469
assign (resid   97 and  name HN   )(resid   96 and  name HA   ) 3.060 0.552 0.674
assign ((resid   96 and  name HB1  ) or (resid   95 and  name HB2  ))(resid   97 and  name HN   ) 3.140 0.446 0.519
assign (resid   96 and  name HB2  )(resid   97 and  name HN   ) 3.888 0.551 0.642
assign ((resid   97 or resid   95 or resid   53) and  name HN   )(resid   96 and  name HD#  ) 4.165 0.689 0.842
assign (resid   95 and  name HG   )(resid   97 and  name HN   ) 4.148 0.588 0.686

! F96
assign (resid   96 and  name HA   )(resid   96 and  name HN   ) 2.632 0.373 0.435
assign (resid   96 and  name HN   )(resid   96 and  name HA   ) 2.657 0.479 0.585
assign ((resid 96 and name HB1) or (resid 95 and name HB2) or (resid 52 and name HD1))(resid 96 and name HN) 3.076 0.436 0.508
assign (resid   96 and  name HB2  )(resid   96 and  name HN   ) 2.610 0.370 0.431
assign (resid   96 and  name HD#  )(resid   96 and  name HN   ) 2.877 0.408 0.475
assign (resid   96 and  name HN   )(resid   96 and  name HD#  ) 3.237 0.535 0.654
assign (resid   96 and  name HD#  )(resid   96 and  name HA   ) 2.493 0.450 0.549
assign (resid   96 and  name HA   )(resid   96 and  name HD#  ) 2.862 0.473 0.579
assign (resid   96 and  name HN   )(resid   95 and  name HN   ) 4.805 0.681 0.794
assign (resid   95 and  name HA   )(resid   96 and  name HN   ) 2.300 0.326 0.380
assign (resid   96 and  name HN   )(resid   95 and  name HA   ) 2.312 0.417 0.509
assign ((resid 95 or resid 94 or resid 82 or resid 53 or resid 51) and  name HA   )(resid   96 and  name HD#  ) 3.580 0.592 0.724
assign ((resid 95 or resid 94 or resid 82 or resid 53 or resid 51) and  name HA   )(resid   96 and  name HD#  ) 3.848 0.636 0.778
assign (resid   96 and  name HN   )(resid   94 and  name HD#  ) 4.500 0.500 999.0
assign (resid   96 and  name HN   )(resid   94 and  name HE#  ) 4.500 0.500 999.0
assign (resid   94 and  name HB2  )(resid   96 and  name HD#  ) 3.424 0.566 0.692
assign (resid   94 and  name HB2  )(resid   96 and  name HE#  ) 3.230 0.534 0.653
assign (resid   96 and  name HN   )(resid   82 and  name HN   ) 5.000 0.500 999.0
assign ((resid   96 and  name HD#  ) or (resid   49 and  name HN   ))(resid   94 and  name HD#  ) 3.401 0.562 0.687
assign (resid   82 and  name HD*  )(resid   96 and  name HN   ) 3.608 0.512 0.596
assign (resid   96 and  name HD#  )(resid   82 and  name HD1# ) 2.960 0.534 0.652
assign (resid   96 and  name HD#  )(resid   82 and  name HN   ) 4.275 0.606 0.707
assign (resid   81 and  name HG2# )(resid   96 and  name HN   ) 3.364 0.477 0.556
assign (resid   96 and  name HD#  )(resid   53 and  name HN   ) 5.076 0.718 0.839
assign (resid   96 and  name HE#  )(resid   53 and  name HN   ) 4.666 0.662 0.771
assign (resid   53 and  name HD1# )(resid   96 and  name HA   ) 3.490 0.629 0.768
assign (resid   96 and  name HA   )(resid   53 and  name HD1# ) 3.854 0.695 0.848
assign (resid   53 and  name HB1  )(resid   96 and  name HD#  ) 3.678 0.608 0.743
assign (resid   96 and  name HD#  )(resid   53 and  name HD1# ) 3.454 0.623 0.760
assign (resid   53 and  name HD1# )(resid   96 and  name HD#  ) 3.061 0.506 0.619
assign (resid   53 and  name HD1# )(resid   96 and  name HE#  ) 3.368 0.557 0.681
assign (resid   96 and  name HD#  )(resid   53 and  name HD2# ) 3.999 0.721 0.880
assign (resid   52 and  name HG#  )(resid   96 and  name HE#  ) 3.100 0.513 0.627
assign (resid   52 and  name HG#  )(resid   96 and  name HZ   ) 3.339 0.552 0.675
assign (resid   52 and  name HD2  )(resid   96 and  name HD#  ) 4.653 0.769 0.940
assign (resid   52 and  name HD2  )(resid   96 and  name HE#  ) 4.337 0.717 0.876
assign (resid   52 and  name HD2  )(resid   96 and  name HZ   ) 4.661 0.770 0.942
assign ((resid   52 and  name HD1  ) or (resid   96 and  name HB1  ))(resid   96 and  name HE#  ) 3.549 0.587 0.717
assign ((resid   52 and  name HD1  ) or (resid   96 and  name HB1  ))(resid   96 and  name HZ   ) 4.434 0.733 0.896

! S95
assign (resid   95 and  name HN   )(resid   95 and  name HA   ) 2.925 0.528 0.644
assign (resid   95 and  name HB1  )(resid   95 and  name HN   ) 2.953 0.419 0.488
assign (resid   95 and  name HB2  )(resid   95 and  name HN   ) 2.709 0.384 0.448
assign (resid   95 and  name HG   )(resid   95 and  name HN   ) 4.007 0.569 0.662
assign (resid   94 and  name HN   )(resid   95 and  name HN   ) 4.195 0.595 0.694
assign (resid   95 and  name HN   )(resid   94 and  name HN   ) 3.784 0.536 0.626
assign (resid   94 and  name HA   )(resid   95 and  name HN   ) 2.146 0.304 0.355
assign (resid   95 and  name HN   )(resid   94 and  name HA   ) 2.126 0.384 0.468
assign (resid   94 and  name HB1  )(resid   95 and  name HN   ) 3.956 0.561 0.654
assign (resid   94 and  name HB2  )(resid   95 and  name HN   ) 3.334 0.473 0.551
assign (resid   94 and  name HD#  )(resid   95 and  name HN   ) 3.416 0.484 0.565
assign (resid   95 and  name HN   )(resid   94 and  name HD#  ) 3.547 0.586 0.717
assign (resid   81 and  name HA   )(resid   95 and  name HA   ) 2.381 0.430 0.524
assign (resid   95 and  name HA   )(resid   81 and  name HA   ) 2.533 0.457 0.558
assign (resid   81 and  name HG2# )(resid   95 and  name HA   ) 2.901 0.523 0.638
assign (resid   95 and  name HA   )(resid   81 and  name HG2# ) 2.901 0.523 0.638
assign (resid   95 and  name HB1  )(resid   81 and  name HG2# ) 3.162 0.570 0.696
assign ((resid 81 and name HG2# ) or (resid 50 and (name HB or name HG1)))(resid 95 and name HN ) 3.406 0.482 0.563
assign ((resid   81 and  name HG2# ) or (resid   79 and  name HD*  ))(resid   95 and  name HB1  ) 2.846 0.513 0.626
assign ((resid   81 and  name HG2# ) or (resid   79 and  name HD*  ))(resid   95 and  name HB2  ) 3.415 0.616 0.751
assign (resid   95 and  name HG   )(resid   79 and  name HG2# ) 3.980 0.718 0.876
assign (resid   51 and  name HB#  )(resid   95 and  name HN   ) 4.615 0.654 0.763
assign (resid   51 and  name HG1  )(resid   95 and  name HN   ) 4.195 0.595 0.694
assign (resid   51 and  name HG2  )(resid   95 and  name HN   ) 3.776 0.536 0.625
assign (resid   51 and  name HG1  )(resid   95 and  name HB1  ) 4.020 0.725 0.885
assign (resid   51 and  name HG2  )(resid   95 and  name HB1  ) 3.481 0.627 0.766
assign (resid   51 and  name HG1  )(resid   95 and  name HB2  ) 3.655 0.658 0.804
assign (resid   51 and  name HG2  )(resid   95 and  name HB2  ) 3.481 0.627 0.766
assign (resid   95 and  name HG   )(resid   51 and  name HE   ) 3.834 0.544 0.634
assign (resid   50 and  name HN   )(resid   95 and  name HN   ) 3.643 0.517 0.602
assign ((resid   51 or resid   95) and  name HN   )(resid   50 and  name HN   ) 3.278 0.465 0.542
assign ((resid 49 and name HD2#) or (resid 50 and (name HG2# or name HD*)))(resid 95 and name HN) 3.747 0.530 0.619
assign ((resid 49 and name HD2#) or (resid 50 and (name HG2# or name HD*)))(resid 95 and name HB1) 3.481 0.627 0.766
assign ((resid 49 and name HD2#) or (resid 50 and (name HG2# or name HD*)))(resid 95 and name HB2) 3.829 0.690 0.843

! Y94
assign (resid   94 and  name HA   )(resid   94 and  name HN   ) 3.208 0.455 0.530
assign (resid   94 and  name HN   )(resid   94 and  name HA   ) 2.825 0.510 0.622
assign ((resid   94 or resid   93) and  name HB1  )(resid   94 and  name HN   ) 2.530 0.359 0.418
assign ((resid   94 or resid   93) and  name HB2  )(resid   94 and  name HN   ) 2.679 0.380 0.443
assign (resid   94 and  name HD#  )(resid   94 and  name HN   ) 2.861 0.406 0.473
assign (resid   94 and  name HN   )(resid   94 and  name HD#  ) 3.116 0.515 0.630
assign (resid   94 and  name HD#  )(resid   94 and  name HA   ) 2.675 0.483 0.589
assign ((resid   94 or resid   51) and  name HA   )(resid   94 and  name HD#  ) 3.073 0.508 0.621
assign ((resid   94 or resid   51) and  name HA   )(resid   94 and  name HE#  ) 3.398 0.562 0.687
assign ((resid   94 and  name HB2  ) or (resid   52 and  name HB1  ))(resid   94 and  name HE#  ) 3.310 0.547 0.669
assign (resid   93 and  name HN   )(resid   94 and  name HN   ) 4.486 0.636 0.742
assign (resid   94 and  name HN   )(resid   93 and  name HN   ) 4.109 0.583 0.679
assign (resid   93 and  name HA   )(resid   94 and  name HN   ) 2.088 0.296 0.345
assign (resid   94 and  name HN   )(resid   93 and  name HA   ) 2.159 0.389 0.475
assign (resid   93 and  name HD#  )(resid   94 and  name HN   ) 3.614 0.512 0.597
assign (resid   94 and  name HN   )(resid   93 and  name HD#  ) 4.250 0.703 0.859
assign (resid   93 and  name HA   )(resid   94 and  name HD#  ) 3.936 0.651 0.795
assign (resid   92 and  name HB#  )(resid   94 and  name HD#  ) 3.003 0.496 0.607
assign ((resid 84 and (name HG2# or name HD*)) or (resid 50 and (name HB or name HG12)))(resid 94 and name HD#) 3.038 0.502 0.614
assign ((resid 84 and (name HG2# or name HD*)) or (resid 50 and (name HB or name HG12)))(resid 94 and name HE#) 2.932 0.485 0.593
assign ((resid   94 and (name HD# or name HE#)) or (resid   83 and  name HD1  ))(resid   84 and  name HG2# ) 3.692 0.666 0.813
assign ((resid   94 and (name HD# or name HE#)) or (resid   83 and  name HD1  ))(resid   84 and  name HD*  ) 3.407 0.615 0.750
assign (resid   83 and  name HA   )(resid   94 and  name HN   ) 3.660 0.519 0.605
assign (resid   94 and  name HN   )(resid   83 and  name HA   ) 3.483 0.628 0.767
assign (resid   94 and  name HB1  )(resid   82 and  name HN   ) 3.609 0.512 0.597
assign (resid   94 and  name HB2  )(resid   82 and  name HN   ) 4.113 0.583 0.680
assign (resid   81 and  name HG1# )(resid   94 and  name HN   ) 2.881 0.409 0.476
assign (resid   94 and  name HN   )(resid   81 and  name HG1# ) 3.210 0.579 0.707
assign (resid   94 and  (name HE#  or  name HD#  ))(resid   52 and  name HG#  ) 2.503 0.452 0.551
assign (resid   52 and  name HG#  )(resid   94 and  name HD#  ) 2.969 0.491 0.600
assign (resid   52 and  name HG#  )(resid   94 and  name HE#  ) 2.642 0.437 0.534
assign (resid   52 and  name HD2  )(resid   94 and  name HD#  ) 3.254 0.538 0.658
assign (resid   52 and  name HD1  )(resid   94 and  name HD#  ) 3.715 0.614 0.751
assign (resid   52 and  name HD2  )(resid   94 and  name HE#  ) 3.250 0.537 0.657
assign (resid   52 and  name HD1  )(resid   94 and  name HE#  ) 4.165 0.689 0.842
assign (resid   50 and  name HN   )(resid   94 and  name HA   ) 2.750 0.496 0.605
assign (resid   94 and  name HA   )(resid   50 and  name HN   ) 2.884 0.409 0.477
assign (resid   50 and  name HG2# )(resid   94 and  name HA   ) 2.969 0.536 0.653
assign (resid   94 and  name HA   )(resid   50 and  name HG2# ) 3.154 0.569 0.694
assign (resid   50 and  name HG2# )(resid   94 and  name HD#  ) 3.282 0.543 0.663
assign (resid   50 and  (name HG2# or name HD*))(resid   94 and  name HE#  ) 2.678 0.443 0.541
assign (resid   50 and  (name HB   or  name HG12 ))(resid   94 and  name HN   ) 3.771 0.535 0.623
assign (resid   50 and  (name HB   or  name HG12 ))(resid   94 and  name HA   ) 2.544 0.459 0.560
assign ((resid 94 and  (name HD# or name HE#)) or ((resid 92 or resid 102) and name HE#))(resid 49 and name HD1#) 2.912 0.525 0.641

! F93
assign (resid   93 and  name HA   )(resid   93 and  name HN   ) 2.982 0.423 0.493
assign (resid   93 and  name HN   )(resid   93 and  name HA   ) 3.113 0.562 0.685 
assign ((resid   93 and  name HB1  ) or (resid   92 and  name HB#))(resid   93 and  name HN   ) 2.328 0.330 0.385
assign (resid   93 and  name HB2  )(resid   93 and  name HN   ) 2.970 0.421 0.491
assign (resid   93 and  name HD#  )(resid   93 and  name HN   ) 3.069 0.435 0.507
assign (resid   93 and  name HN   )(resid   93 and  name HD#  ) 3.399 0.562 0.687
assign (resid   93 and  name HD#  )(resid   93 and  name HA   ) 3.327 0.600 0.732
assign (resid   93 and  name HA   )(resid   93 and  name HD#  ) 3.317 0.548 0.670
assign ((resid   93 and  name HB1  ) or (resid   83 and  name HB2 ))(resid   93 and  name HE#  ) 4.093 0.677 0.827
assign (resid   92 and  name HN   )(resid   93 and  name HN   ) 4.057 0.575 0.671
assign (resid   93 and  name HN   )(resid   92 and  name HN   ) 4.075 0.578 0.674
assign (resid   92 and  name HA   )(resid   93 and  name HN   ) 2.053 0.291 0.339
assign (resid   93 and  name HN   )(resid   92 and  name HA   ) 2.006 0.362 0.442
assign (resid   93 and  name HN   )(resid   92 and  name HD#  ) 3.783 0.625 0.765
assign ((resid   93 and  name HZ   ) or (resid   93 and  name HE#  ))(resid   91 and  name HB1  ) 2.871 0.518 0.632
assign ((resid   93 and  name HZ   ) or (resid   93 and  name HE#  ))(resid   91 and  name HB2  ) 2.849 0.514 0.627
assign ((resid   48 or resid   92) and  name HA   )(resid   93 and  name HD#  ) 3.703 0.612 0.748
assign (resid   91 and  name HB1  )(resid   93 and  name HE#  ) 3.837 0.634 0.775
assign (resid   91 and  name HB1  )(resid   93 and  name HZ   ) 4.103 0.678 0.829
assign (resid   91 and  name HB2  )(resid   93 and  name HE#  ) 3.738 0.618 0.755
assign (resid   91 and  name HB2  )(resid   93 and  name HZ   ) 3.708 0.613 0.749
assign (resid   83 and  name HA   )(resid   93 and  name HA   ) 2.693 0.486 0.593
assign (resid   93 and  name HA   )(resid   83 and  name HA   ) 2.622 0.473 0.577
assign (resid   83 and  name HA   )(resid   93 and  name HD#  ) 3.723 0.615 0.752
assign (resid   83 and  name HB1  )(resid   93 and  name HD#  ) 4.166 0.689 0.842 
assign (resid   83 and  name HB1  )(resid   93 and  name HE#  ) 4.375 0.723 0.884 
assign (resid   83 and  name HD1  )(resid   93 and  name HD#  ) 3.722 0.615 0.752
assign (resid   93 and  name HA   )(resid   83 and  name HD1  ) 4.100 0.678 0.829
assign (resid   93 and  name HD#  )(resid   83 and  name HD1  ) 4.044 0.668 0.817
assign ((resid 83 and name HE1) or (resid 81 and name HG1#) or (resid 48 and name HG*))(resid 93 and name HD#) 2.756 0.456 0.557
assign ((resid 83 and name HE1) or (resid 81 and name HG1#) or (resid 48 and name HG*))(resid 93 and name HE#) 3.405 0.563 0.688
assign ((resid 83 and name HE1) or (resid 81 and name HG1#) or (resid 48 and name HG*))(resid 93 and name HZ ) 3.906 0.646 0.789
assign (resid   93 and  (name HZ   or  name HE#  ))(resid   83 and  name HD1  ) 3.815 0.631 0.771
assign (resid   93 and  (name HZ   or  name HE#  ))(resid   83 and  name HE1  ) 4.187 0.594 0.692
assign (resid   83 and  name HD1  )(resid   93 and  name HZ   ) 3.955 0.654 0.799
assign (resid   93 and  (name HZ   or  name HE#  ))(resid   83 and  name HE3  ) 4.620 0.764 0.934
assign (resid   93 and  (name HZ   or  name HE#  ))(resid   83 and  name HZ2  ) 4.553 0.753 0.920
assign (resid   83 and  name HZ2  )(resid   93 and  name HZ   ) 4.557 0.753 0.921
assign (resid   81 and  name HG1# )(resid   93 and  name HA   ) 2.693 0.498 0.607
assign (resid   93 and  name HA   )(resid   81 and  name HG1# ) 3.115 0.562 0.686
assign (resid   93 and  name HB1  )(resid   81 and  name HG1# ) 3.406 0.614 0.750
assign (resid   93 and  name HB2  )(resid   81 and  name HG1# ) 3.078 0.555 0.678
assign (resid   50 and  name HD*  )(resid   93 and  name HN   ) 3.015 0.427 0.498
assign (resid   93 and  name HN   )(resid   50 and  name HD*  ) 3.217 0.580 0.708
assign ((resid 50 and (name HG2# or name HD*)) or (resid 44 and name HG1#))(resid   93 and  name HD#  ) 3.708 0.613 0.749
assign (resid   49 and  name HA   )(resid   93 and  name HN   ) 4.032 0.572 0.666
assign (resid   93 and  name HN   )(resid   49 and  name HA   ) 4.518 0.815 0.994
assign (resid   48 and  name HB   )(resid   93 and  name HD#  ) 3.962 0.655 0.801

! Y92
assign (resid   92 and  name HA   )(resid   92 and  name HN   ) 2.920 0.414 0.483
assign (resid   92 and  name HN   )(resid   92 and  name HA   ) 2.799 0.505 0.616 
assign (resid   92 and  name HB#  )(resid   92 and  name HN   ) 2.596 0.368 0.429
assign (resid   92 and  name HD#  )(resid   92 and  name HN   ) 2.547 0.361 0.421
assign (resid   92 and  name HN   )(resid   92 and  name HD#  ) 3.019 0.499 0.610
assign ((resid   92 and  name HE#  ) or (resid   83 and  name HD1  ))(resid   92 and  name HN   ) 2.759 0.391 0.456
assign (resid   92 and  name HD#  )(resid   92 and  name HA   ) 2.916 0.526 0.642 
assign (resid   92 and  name HA   )(resid   92 and  name HD#  ) 3.133 0.518 0.633
assign (resid   91 and  name HN   )(resid   92 and  name HN   ) 4.480 0.635 0.741
assign (resid   91 and  name HA   )(resid   92 and  name HN   ) 2.106 0.299 0.348
assign (resid   92 and  name HN   )(resid   91 and  name HA   ) 2.172 0.392 0.478
assign (resid   91 and  name HB1  )(resid   92 and  name HN   ) 3.679 0.522 0.608
assign (resid   91 and  name HB2  )(resid   92 and  name HN   ) 3.445 0.488 0.569
assign ((resid   92 and  name HE#  ) or (resid   83 and  name HD1  ))(resid   91 and  name HN   ) 3.913 0.555 0.647
assign (resid   91 and  name HN   )(resid   92 and  name HD#  ) 4.539 0.750 0.917
assign (resid   91 and  name HN   )(resid   92 and  name HE#  ) 3.989 0.659 0.806
assign (resid   91 and  name HA   )(resid   92 and  name HD#  ) 3.614 0.597 0.730
assign (resid   91 and  name HA   )(resid   92 and  name HE#  ) 4.421 0.731 0.894
assign (resid   90 and  name HA#  )(resid   92 and  name HN   ) 4.481 0.635 0.741
assign (resid   92 and  name HD#  )(resid   90 and  name HN   ) 4.697 0.666 0.776
assign (resid   90 and  name HN   )(resid   92 and  name HD#  ) 4.644 0.768 0.937
assign ((resid   92 and  name HE#  ) or (resid   83 and  name HD1  ))(resid   90 and  name HN   ) 3.815 0.541 0.631
assign (resid   90 and  name HN   )(resid   92 and  name HE#  ) 4.136 0.684 0.836
assign ((resid   86 and  name HA1  ) or (resid   90 and  name HA#  ))(resid   92 and  name HD#  ) 3.887 0.642 0.786
assign ((resid   92 and  name HE#  ) or (resid   83 and  name HD1  ))(resid   90 and  name HA1  ) 3.370 0.607 0.742
assign ((resid   92 and  name HE#  ) or (resid   83 and  name HD1  ))(resid   90 and  name HA2  ) 3.373 0.609 0.743
assign ((resid   86 and  name HA1  ) or (resid   90 and  name HA#  ))(resid   92 and  name HE#  ) 2.995 0.495 0.605
assign ((resid 92 and name HE#) or (resid  83 and name HD1) or (resid 137 and name HE22))(resid  87 and name HN) 3.757 0.533 0.621
assign (resid   86 and  name HN   )(resid   92 and  name HN   ) 4.665 0.662 0.771
assign (resid   92 and  name HD#  )(resid   86 and  name HN   ) 3.136 0.445 0.518
assign (resid   86 and  name HN   )(resid   92 and  name HD#  ) 3.419 0.565 0.691
assign ((resid   92 and  name HE#  ) or (resid   83 and  name HD1  ))(resid   86 and  name HN   ) 2.952 0.419 0.488
assign (resid   86 and  name HN   )(resid   92 and  name HE#  ) 3.262 0.539 0.659
assign (resid   86 and  name HA2  )(resid   92 and  name HD#  ) 3.863 0.639 0.781
assign (resid   86 and  name HA2  )(resid   92 and  name HE#  ) 3.033 0.501 0.613
assign (resid   85 and  name HA   )(resid   92 and  name HN   ) 3.307 0.469 0.547
assign (resid   85 and  name HA   )(resid   92 and  name HD#  ) 3.606 0.596 0.729
assign (resid   85 and  name HA   )(resid   92 and  name HE#  ) 4.071 0.673 0.823
assign (resid   84 and  name HN   )(resid   92 and  name HN   ) 3.596 0.510 0.594
assign (resid   84 and  name HN   )(resid   92 and  name HD#  ) 4.893 0.809 0.989
assign ((resid 85 and (name HD1 or name HB#)) or (resid   84 and  name HB ))(resid 92 and name HN ) 3.559 0.505 0.588
assign ((resid 85 and (name HD1 or name HB#)) or (resid   84 and  name HB ))(resid 92 and name HD#) 3.780 0.625 0.764
assign (resid   92 and  name HB#  )(resid   84 and  name HG2# ) 3.543 0.639 0.780
assign (resid   83 and  name HA   )(resid   92 and  name HN   ) 4.240 0.601 0.701
assign (resid   92 and  name HN   )(resid   83 and  name HD1  ) 3.346 0.553 0.676
assign (resid   83 and  name HE1  )(resid   92 and  name HN   ) 3.793 0.538 0.627
assign (resid   92 and  name HN   )(resid   83 and  name HE1  ) 4.225 0.599 0.698
assign ((resid   83 and  name HB2  ) or (resid   92 and  name HB#  ))(resid   84 and  name HN   ) 3.088 0.438 0.510
assign (resid   92 and  name HA   )(resid   50 and  name HD*  ) 3.304 0.596 0.727
assign (resid   92 and  name HD#  )(resid   50 and  name HD*  ) 3.108 0.561 0.684
assign (resid   50 and  (name HD* or name HG12 or name HB))(resid   92 and  name HD#  ) 2.836 0.469 0.573
assign ((resid   92 or resid   94) and  name HE#  )(resid   50 and  name HD*  ) 3.310 0.597 0.728
assign ((resid   92 or resid   94) and  name HE#  )(resid   50 and  name HG2# ) 3.102 0.560 0.682

! D91
assign (resid   91 and  name HA   )(resid   91 and  name HN   ) 3.091 0.438 0.511
assign (resid   91 and  name HN   )(resid   91 and  name HA   ) 3.039 0.431 0.502
assign (resid   91 and  name HB1  )(resid   91 and  name HN   ) 2.553 0.362 0.422
assign (resid   91 and  name HB2  )(resid   91 and  name HN   ) 2.922 0.414 0.483
assign (resid   90 and  name HN   )(resid   91 and  name HN   ) 3.596 0.510 0.594
assign (resid   91 and  name HN   )(resid   90 and  name HN   ) 3.788 0.466 0.544
assign (resid   90 and  name HA#  )(resid   91 and  name HN   ) 2.197 0.312 0.363
assign (resid   91 and  name HN   )(resid   90 and  name HA1  ) 2.718 0.490 0.598
assign (resid   91 and  name HN   )(resid   90 and  name HA2  ) 2.672 0.482 0.588
assign (resid   91 and  name HA   )(resid   86 and  name HN   ) 3.637 0.516 0.601
assign (resid   85 and  name HA   )(resid   91 and  name HA   ) 2.533 0.457 0.558
assign (resid   91 and  name HA   )(resid   85 and  name HA   ) 2.622 0.473 0.577
assign (resid   91 and  name HA   )(resid   83 and  name HD1  ) 3.775 0.624 0.763
assign (resid   91 and  name HB1  )(resid   83 and  name HD1  ) 4.431 0.732 0.895
assign (resid   91 and  name HB2  )(resid   83 and  name HD1  ) 3.893 0.643 0.787
assign (resid   91 and  name HA   )(resid   83 and  name HE1  ) 3.151 0.447 0.521
assign (resid   91 and  name HA   )(resid   83 and  name HZ2  ) 5.395 0.892 1.090
assign (resid   83 and  name HE1  )(resid   91 and  name HA   ) 2.914 0.526 0.641
assign (resid   91 and  name HB1  )(resid   83 and  name HE1  ) 3.257 0.462 0.538
assign (resid   91 and  name HB2  )(resid   83 and  name HE1  ) 3.024 0.429 0.500

! G90
assign (resid   90 and  name HA#  )(resid   90 and  name HN   ) 2.351 0.333 0.389
assign (resid   90 and  name HN   )(resid   90 and  name HA1  ) 2.859 0.516 0.629
assign (resid   90 and  name HN   )(resid   90 and  name HA2  ) 2.813 0.507 0.619
assign (resid   89 and  name HN   )(resid   90 and  name HN   ) 2.845 0.403 0.470
assign (resid   90 and  name HN   )(resid   89 and  name HN   ) 2.841 0.403 0.470
assign (resid   89 and  name HA1  )(resid   90 and  name HN   ) 3.564 0.505 0.589
assign (resid   90 and  name HN   )(resid   89 and  name HA1  ) 3.361 0.606 0.740
assign (resid   89 and  name HA2  )(resid   90 and  name HN   ) 3.255 0.462 0.538
assign ((resid   88 or resid   86) and  name HN   )(resid   90 and  name HN   ) 3.352 0.475 0.554
assign (resid   90 and  name HN   )(resid   88 and  name HN   ) 3.588 0.509 0.593
assign (resid   88 and  name HA   )(resid   90 and  name HN   ) 4.885 0.693 0.807
assign (resid   88 and  (name HB1  or name HG1  ))(resid   90 and  name HN   ) 4.616 0.655 0.763
assign ((resid   87  or resid   85) and  (name HB#  or name HD1))(resid   90 and  name HN   ) 4.522 0.641 0.747
assign ((resid   90 or resid   86) and  name HA2  )(resid   87 and  name HB#  ) 3.709 0.669 0.816
assign (resid   86 and  name HN   )(resid   90 and  name HN   ) 4.038 0.572 0.667
assign ((resid   86 and  name HA1  ) or (resid   90 and  name HA#  ))(resid   86 and  name HN   ) 2.609 0.370 0.431

! G89
assign (resid   89 and  name HA1  )(resid   89 and  name HN   ) 2.517 0.357 0.416
assign (resid   89 and  name HN   )(resid   89 and  name HA1  ) 2.606 0.470 0.574
assign (resid   89 and  name HA2  )(resid   89 and  name HN   ) 2.341 0.332 0.387
assign (resid   89 and  name HN   )(resid   89 and  name HA2  ) 2.532 0.457 0.557
assign (resid   88 and  name HN   )(resid   89 and  name HN   ) 2.846 0.404 0.470
assign (resid   89 and  name HN   )(resid   88 and  name HN   ) 2.839 0.403 0.469
assign (resid   88 and  name HA   )(resid   89 and  name HN   ) 3.157 0.448 0.522
assign (resid   89 and  name HN   )(resid   88 and  name HA   ) 3.201 0.577 0.704
assign (resid   88 and  (name HB1  or  name HG1  ))(resid   89 and  name HN   ) 3.976 0.564 0.657
assign (resid   88 and  name HB2  )(resid   89 and  name HN   ) 4.061 0.576 0.671
assign (resid   88 and  name HG2  )(resid   89 and  name HN   ) 4.774 0.677 0.789
assign (resid   87 and  name HN   )(resid   89 and  name HN   ) 4.683 0.664 0.774
assign (resid   89 and  name HN   )(resid   87 and  name HN   ) 4.143 0.588 0.685
assign (resid   87 and  name HA   )(resid   89 and  name HN   ) 3.739 0.530 0.618
assign ((resid   87 or resid   85) and  (name HB#  or name HD1))(resid   89 and  name HN   ) 3.719 0.527 0.615
assign ((resid   87 or resid   85) and  (name HB#  or name HD1))(resid   89 and  name HA1  ) 3.140 0.566 0.691
assign ((resid   87 or resid   85) and  (name HB#  or name HD1))(resid   89 and  name HA2  ) 3.303 0.596 0.727
assign (resid   85 and  name HE1  )(resid   89 and  name HA2  ) 3.827 0.690 0.842
assign (resid   85 and  name HE2  )(resid   89 and  name HA2  ) 3.856 0.696 0.849

! Q88
assign (resid   88 and  name HA   )(resid   88 and  name HN   ) 3.084 0.437 0.510
assign (resid   88 and  name HN   )(resid   88 and  name HA   ) 3.160 0.570 0.696
assign (resid   88 and  (name HB1  or  name HG1  ))(resid   88 and  name HN   ) 2.757 0.391 0.456
assign (resid   88 and  name HB2  )(resid   88 and  name HN   ) 2.843 0.403 0.470
assign (resid   88 and  name HG2  )(resid   88 and  name HN   ) 3.226 0.457 0.533
assign (resid   88 and  (name HB1  or  name HG1  ))(resid   88 and  name HE21 ) 2.962 0.420 0.489
assign (resid   88 and  name HB2  )(resid   88 and  name HE21 ) 4.131 0.586 0.683
assign (resid   88 and  name HG2  )(resid   88 and  name HE21 ) 3.296 0.467 0.545
assign (resid   88 and  (name HB1  or  name HG1  ))(resid   88 and  name HE22 ) 3.316 0.470 0.548
assign (resid   88 and  name HB2  )(resid   88 and  name HE22 ) 4.566 0.647 0.755
assign (resid   88 and  name HG2  )(resid   88 and  name HE22 ) 3.706 0.526 0.613
assign (resid   87 and  name HN   )(resid   88 and  name HN   ) 3.294 0.467 0.544
assign ((resid   88 or resid   86) and  name HN   )(resid   87 and  name HN   ) 3.075 0.436 0.508
assign (resid   87 and  name HA   )(resid   88 and  name HN   ) 3.419 0.485 0.565
assign (resid   88 and  name HN   )(resid   87 and  name HA   ) 3.315 0.598 0.730
assign (resid   87 and  name HB#  )(resid   88 and  name HN   ) 2.947 0.418 0.487
assign (resid   88 and  name HN   )(resid   87 and  name HB#  ) 3.869 0.698 0.851
assign (resid   88 and  name HA   )(resid   87 and  name HB#  ) 3.705 0.668 0.815
assign (resid   88 and  name HG1  )(resid   87 and  name HB#  ) 3.579 0.646 0.788
assign (resid   88 and  name HG2  )(resid   87 and  name HB#  ) 3.576 0.645 0.787
assign (resid   87 and  name HB#  )(resid   88 and  name HE21 ) 4.135 0.586 0.683
assign (resid   88 and  name HE21 )(resid   87 and  name HB#  ) 3.888 0.701 0.856
assign (resid   87 and  name HB#  )(resid   88 and  name HE22 ) 4.756 0.674 0.786
assign (resid   88 and  name HE22 )(resid   87 and  name HB#  ) 4.157 0.750 0.915
assign (resid   86 and  name HA1  )(resid   88 and  name HN   ) 3.744 0.531 0.619
assign (resid   86 and  name HA2  )(resid   88 and  name HN   ) 3.494 0.495 0.578

! A87
assign (resid   87 and  name HA   )(resid   87 and  name HN   ) 2.492 0.353 0.412
assign (resid   87 and  name HN   )(resid   87 and  name HA   ) 2.845 0.513 0.626
assign (resid   87 and  name HB#  )(resid   87 and  name HN   ) 2.092 0.297 0.346
assign (resid   87 and  name HN   )(resid   86 and  name HN   ) 3.825 0.542 0.632
assign (resid   86 and  name HA1  )(resid   87 and  name HN   ) 2.384 0.338 0.394
assign (resid   87 and  name HN   )(resid   86 and  name HA1  ) 2.509 0.453 0.552
assign (resid   86 and  name HA2  )(resid   87 and  name HN   ) 2.547 0.361 0.421
assign (resid   87 and  name HN   )(resid   86 and  name HA2  ) 2.731 0.493 0.601

! G86
assign (resid   86 and  name HN   )(resid   86 and  name HA1  ) 2.483 0.448 0.547
assign (resid   86 and  name HA2  )(resid   86 and  name HN   ) 2.463 0.349 0.407
assign (resid   86 and  name HN   )(resid   86 and  name HA2  ) 2.444 0.441 0.538
assign (resid   85 and  name HN   )(resid   86 and  name HN   ) 4.444 0.630 0.735
assign (resid   86 and  name HN   )(resid   85 and  name HN   ) 5.044 0.715 0.834
assign (resid   85 and  name HA   )(resid   86 and  name HN   ) 2.075 0.294 0.343
assign (resid   86 and  name HN   )(resid   85 and  name HA   ) 2.183 0.394 0.480
assign (resid   85 and  (name HB#  or  name HD1  ))(resid   86 and  name HN   ) 2.691 0.382 0.445
assign (resid   85 and  name HD1  )(resid   86 and  name HN   ) 4.122 0.585 0.681
assign (resid   84 and  (name HG2# or  name HD*  ))(resid   86 and  name HN   ) 4.322 0.613 0.714

! K85
assign (resid   85 and  name HA   )(resid   85 and  name HN   ) 3.151 0.447 0.521
assign (resid   85 and  name HN   )(resid   85 and  name HA   ) 3.097 0.559 0.682
assign (resid   85 and  (name HB#  or  name HD1  ))(resid   85 and  name HN   ) 2.355 0.334 0.389
assign ((resid   85 and  name HG1  ) or (resid   84 and  name HG11 ))(resid   85 and  name HN   ) 3.198 0.454 0.529
assign (resid   85 and  name HG2  )(resid   85 and  name HN   ) 3.887 0.551 0.643
assign (resid   85 and  name HD2  )(resid   85 and  name HN   ) 3.835 0.544 0.634
assign (resid   84 and  name HN   )(resid   85 and  name HN   ) 4.320 0.613 0.714
assign (resid   84 and  name HA   )(resid   85 and  name HN   ) 2.110 0.299 0.349
assign (resid   85 and  name HN   )(resid   84 and  name HA   ) 2.198 0.397 0.484
assign (resid   84 and  name HG12 )(resid   85 and  name HN   ) 4.755 0.674 0.786
assign (resid   84 and  name HG2# )(resid   85 and  name HN   ) 2.591 0.367 0.428
assign (resid   84 and  (name HG2# or  name HD*  ))(resid   85 and  name HA   ) 3.231 0.582 0.711
assign ((resid   85 and  (name HB#  or  name HD1  )) or (resid   84 and  name HB   ))(resid   83 and  name HD1  ) 4.501 0.744 0.910
assign (resid   85 and  name HD2  )(resid   83 and  name HD1  ) 5.199 0.859 1.051
assign ((resid   85 and  (name HB#  or  name HD1  )) or (resid   84 and  name HB   ))(resid   83 and  name HE1  ) 3.592 0.509 0.594
assign ((resid   85 and  name HG1  ) or (resid   84 and  name HG11 ))(resid   83 and  name HE1  ) 4.075 0.578 0.674
assign (resid   85 and  name HG2  )(resid   83 and  name HE1  ) 4.646 0.659 0.768
assign (resid   85 and  name HD2  )(resid   83 and  name HE1  ) 4.386 0.622 0.725
assign ((resid   85 and  name HE1  ) or (resid   83 and  name HB2  ))(resid   83 and  name HE1  ) 4.320 0.613 0.714
assign (resid   85 and  name HE2  )(resid   83 and  name HE1  ) 4.158 0.590 0.687
assign (resid   85 and  name HG1  )(resid   83 and  name HZ2  ) 5.527 0.914 1.117
assign ((resid   85 and  (name HB#  or  name HD1  )) or (resid   37 and  name HG#  ))(resid   83 and  name HZ2  ) 4.791 0.792 0.968
assign (resid   85 and  name HD2  )(resid   83 and  name HZ2  ) 5.155 0.852 1.042
assign (resid   85 and  name HE1  )(resid   83 and  name HZ2  ) 4.831 0.799 0.976
assign (resid   85 and  name HE2  )(resid   83 and  name HZ2  ) 3.957 0.654 0.800
assign (resid   85 and  name HZ#  )(resid   83 and  name HZ2  ) 2.458 0.406 0.497
assign ((resid   85 and  (name HB#  or  name HD1  )) or (resid   37 and  name HG#  ))(resid   83 and  name HH2  ) 4.979 0.823 1.006
assign (resid   85 and  name HD2  )(resid   83 and  name HH2  ) 5.007 0.828 1.012
assign (resid   85 and  name HE2  )(resid   83 and  name HH2  ) 4.936 0.816 0.998

! I84
assign (resid   84 and  name HA   )(resid   84 and  name HN   ) 2.838 0.402 0.469
assign (resid   84 and  name HN   )(resid   84 and  name HA   ) 3.012 0.543 0.663
assign (resid   84 and  name HB   )(resid   84 and  name HN   ) 2.642 0.375 0.437
assign (resid   84 and  name HG11 )(resid   84 and  name HN   ) 3.212 0.456 0.531
assign (resid   84 and  name HG12 )(resid   84 and  name HN   ) 3.244 0.460 0.536
assign (resid   84 and  (name HG2# or  name HD*  ))(resid   84 and  name HN   ) 3.093 0.439 0.511
assign (resid   84 and  name HN   )(resid   84 and  name HG2# ) 3.503 0.632 0.771
assign (resid   84 and  name HN   )(resid   84 and  name HD*  ) 3.864 0.697 0.850
assign (resid   84 and  name HB   )(resid   84 and  name HA   ) 3.059 0.552 0.673
assign (resid   84 and  name HG11 )(resid   84 and  name HA   ) 2.958 0.534 0.651
assign (resid   84 and  name HG12 )(resid   84 and  name HA   ) 3.198 0.577 0.704
assign (resid   84 and  (name HG2# or  name HD*  ))(resid   84 and  name HA   ) 2.412 0.435 0.531
assign (resid   84 and  name HA   )(resid   84 and  name HG2# ) 2.709 0.489 0.596
assign (resid   84 and  name HA   )(resid   84 and  name HD*  ) 3.804 0.686 0.837
assign (resid   83 and  name HA   )(resid   84 and  name HN   ) 2.016 0.286 0.333
assign (resid   84 and  name HN   )(resid   83 and  name HA   ) 2.117 0.382 0.466
assign (resid   83 and  name HD1  )(resid   84 and  name HN   ) 2.387 0.338 0.395
assign (resid   84 and  name HN   )(resid   83 and  name HD1  ) 2.937 0.486 0.594
assign (resid   84 and  name HA   )(resid   83 and  name HD1  ) 4.470 0.739 0.903
assign (resid   84 and  (name HG2# or  name HD*  ))(resid   83 and  name HD1  ) 4.768 0.788 0.964
assign (resid   84 and  name HN   )(resid   83 and  name HE1  ) 4.640 0.658 0.767

! W83
assign (resid   83 and  name HA   )(resid   83 and  name HN   ) 3.026 0.429 0.500
assign (resid   83 and  name HN   )(resid   83 and  name HA   ) 3.247 0.586 0.715
assign (resid   83 and  name HB1  )(resid   83 and  name HN   ) 2.450 0.347 0.405
assign (resid   83 and  name HB2  )(resid   83 and  name HN   ) 2.605 0.369 0.431
assign (resid   83 and  name HE3  )(resid   83 and  name HN   ) 4.139 0.587 0.684
assign (resid   83 and  name HN   )(resid   83 and  name HE3  ) 4.142 0.685 0.837
assign (resid   83 and  name HA   )(resid   83 and  name HE3  ) 4.733 0.782 0.956
assign (resid   83 and  name HD1  )(resid   83 and  name HA   ) 2.792 0.504 0.614 
assign (resid   83 and  name HA   )(resid   83 and  name HD1  ) 2.970 0.491 0.600 
assign (resid   83 and  name HA   )(resid   83 and  name HE1  ) 4.437 0.629 0.734 
assign (resid   83 and  name HE3  )(resid   83 and  name HB1  ) 2.515 0.454 0.553
assign ((resid   83 and  name HB1  ) or (resid   37 and  name HD#  ))(resid   83 and  name HE3  ) 3.258 0.539 0.659
assign (resid   83 and  name HB2  )(resid   83 and  name HE3  ) 3.417 0.565 0.691
assign (resid   83 and  name HB1  )(resid   83 and  name HD1  ) 4.229 0.699 0.855
assign (resid   83 and  name HB2  )(resid   83 and  name HD1  ) 3.950 0.653 0.798
assign (resid   83 and  name HB2  )(resid   83 and  name HZ3  ) 5.106 0.844 1.032
assign (resid   83 and  name HN   )(resid   82 and  name HN   ) 4.159 0.590 0.688
assign (resid   82 and  name HA   )(resid   83 and  name HN   ) 2.094 0.297 0.346
assign (resid   83 and  name HN   )(resid   82 and  name HA   ) 2.162 0.390 0.476
assign (resid   82 and  (name HB1  or  name HG   ))(resid   83 and  name HN   ) 3.871 0.549 0.640
assign (resid   82 and  name HB2  )(resid   83 and  name HN   ) 3.340 0.474 0.552
assign (resid   83 and  name HN   )(resid   82 and  name HD2# ) 3.484 0.628 0.767
assign (resid   83 and  name HE3  )(resid   39 and  name HB#  ) 4.124 0.744 0.908 
assign (resid   38 and  name HG2# )(resid   83 and  name HZ3  ) 4.788 0.791 0.968
assign ((resid   38 and  name HB   ) or (resid   37 and  name HB1  ))(resid   83 and  name HH2  ) 5.031 0.832 1.017

! L82
assign (resid   82 and  name HA   )(resid   82 and  name HN   ) 2.985 0.423 0.493
assign (resid   82 and  name HN   )(resid   82 and  name HA   ) 3.024 0.546 0.666
assign (resid   82 and  (name HB1  or  name HG   ))(resid   82 and  name HN   ) 2.443 0.346 0.404
assign (resid   82 and  name HB2  )(resid   82 and  name HN   ) 3.332 0.472 0.551
assign (resid   82 and  name HD1# )(resid   82 and  name HN   ) 3.126 0.443 0.517
assign (resid   82 and  name HN   )(resid   82 and  name HD1# ) 3.450 0.622 0.759
assign (resid   82 and  name HN   )(resid   82 and  name HD2# ) 4.299 0.776 0.927
assign (resid   82 and  name HA   )(resid   82 and  name HD1# ) 3.425 0.618 0.754
assign (resid   82 and  name HA   )(resid   82 and  name HD2# ) 2.807 0.506 0.617
assign (resid   81 and  name HN   )(resid   82 and  name HN   ) 3.972 0.563 0.657
assign (resid   81 and  name HA   )(resid   82 and  name HN   ) 2.287 0.413 0.503
assign (resid   81 and  name HG1# )(resid   82 and  name HN   ) 2.627 0.372 0.434
assign (resid   82 and  name HN   )(resid   81 and  name HG1# ) 3.053 0.551 0.672
assign (resid   81 and  name HG2# )(resid   82 and  name HN   ) 3.142 0.446 0.519
assign (resid   82 and  name HN   )(resid   81 and  name HG2# ) 3.260 0.588 0.717

! V81
assign (resid   81 and  name HN   )(resid   81 and  name HA   ) 3.150 0.568 0.693
assign (resid   81 and  name HB   )(resid   81 and  name HN   ) 2.444 0.347 0.404
assign (resid   81 and  name HG1# )(resid   81 and  name HN   ) 3.634 0.515 0.600
assign (resid   81 and  name HG2# )(resid   81 and  name HN   ) 3.010 0.427 0.498
assign (resid   81 and  name HN   )(resid   81 and  name HG2# ) 3.146 0.567 0.692
assign (resid   80 and  name HN   )(resid   81 and  name HN   ) 3.878 0.550 0.641
assign (resid   80 and  name HA   )(resid   81 and  name HN   ) 2.025 0.287 0.335
assign (resid   81 and  name HN   )(resid   80 and  name HA   ) 2.106 0.380 0.466
assign (resid   80 and  name HB1  )(resid   81 and  name HN   ) 3.730 0.529 0.617
assign (resid   80 and  name HB2  )(resid   81 and  name HN   ) 3.317 0.470 0.548

! D80
assign (resid   80 and  name HA   )(resid   80 and  name HN   ) 2.866 0.406 0.474
assign (resid   80 and  name HN   )(resid   80 and  name HA   ) 2.962 0.534 0.652
assign (resid   80 and  name HB1  )(resid   80 and  name HN   ) 2.501 0.353 0.413
assign (resid   80 and  name HB2  )(resid   80 and  name HN   ) 2.836 0.402 0.469
assign (resid   79 and  name HN   )(resid   80 and  name HN   ) 4.188 0.594 0.692
assign (resid   79 and  name HA   )(resid   80 and  name HN   ) 2.225 0.315 0.368
assign (resid   80 and  name HN   )(resid   79 and  name HA   ) 2.270 0.410 0.500
assign (resid   79 and  name HB   )(resid   80 and  name HN   ) 2.535 0.359 0.419
assign (resid   79 and  name HG11 )(resid   80 and  name HN   ) 4.705 0.667 0.778
assign (resid   79 and  (name HG12 or  name HG2# ))(resid   80 and  name HN   ) 3.025 0.429 0.500
assign (resid   79 and  name HD*  )(resid   80 and  name HN   ) 3.459 0.490 0.572
assign (resid   80 and  name HN   )(resid   79 and  name HG2# ) 2.855 0.515 0.628

! I79
assign (resid   79 and  name HN   )(resid   79 and  name HA   ) 3.135 0.565 0.690
assign (resid   79 and  name HB   )(resid   79 and  name HN   ) 3.463 0.491 0.572 
assign (resid   79 and  name HG11 )(resid   79 and  name HN   ) 2.690 0.381 0.445 
assign (resid   79 and  name HN   )(resid   79 and  name HG2# ) 2.743 0.494 0.604 
assign (resid   79 and  name HD*  )(resid   79 and  name HN   ) 3.039 0.431 0.502 
assign (resid   79 and  name HN   )(resid   79 and  name HD*  ) 3.335 0.602 0.734 
assign (resid   79 and  name HG2# )(resid   79 and  name HA   ) 2.383 0.430 0.524 
assign (resid   79 and  name HA   )(resid   79 and  name HG2# ) 2.478 0.447 0.546 
assign ((resid   79 or resid   78) and  name HA   )(resid   79 and  name HD*  ) 3.397 0.613 0.748 
assign (resid   78 and  name HA   )(resid   79 and  name HN   ) 2.068 0.293 0.342 
assign (resid   78 and  name HB1  )(resid   79 and  name HN   ) 2.889 0.410 0.477 
assign (resid   78 and  name HB2  )(resid   79 and  name HN   ) 2.955 0.419 0.488 
assign (resid   79 and  name HD*  )(resid   79 and  name HA   ) 3.481 0.628 0.766 

! P78
assign (resid   78 and  name HD1  )(resid   77 and  name HA   ) 2.435 0.439 0.536 
assign (resid   78 and  name HD2  )(resid   77 and  name HA   ) 2.340 0.422 0.515 
assign (resid   78 and  name HD1  )(resid   77 and  name HB1  ) 2.595 0.468 0.571 
assign (resid   77 and  name HB1  )(resid   78 and  name HD1  ) 2.995 0.540 0.659 
assign (resid   78 and  name HD2  )(resid   77 and  name HB1  ) 2.961 0.534 0.652 
assign (resid   77 and  name HB1  )(resid   78 and  name HD2  ) 3.255 0.587 0.716 
assign (resid   78 and  name HD1  )(resid   77 and  name HB2  ) 2.942 0.531 0.648 
assign (resid   78 and  name HB2  )(resid   41 and  name HG1# ) 2.881 0.507 0.619 
assign (resid   78 and  name HB2  )(resid   41 and  name HG2# ) 2.939 0.530 0.647 
assign (resid   41 and  name HG*  )(resid   78 and  name HG1  ) 2.778 0.501 0.612 
assign (resid   41 and  name HG*  )(resid   78 and  name HG2  ) 2.732 0.493 0.601 

! P77
assign (resid   77 and  name HD1  )(resid   76 and  name HA   ) 2.556 0.461 0.563 
assign (resid   77 and  name HD2  )(resid   76 and  name HA   ) 2.403 0.434 0.529 
assign (resid   77 and  name HD1  )(resid   76 and  name HG1# ) 3.226 0.582 0.710 
assign (resid   76 and  name HG1# )(resid   77 and  name HD1  ) 2.459 0.444 0.541 

! V76
assign (resid   76 and  name HA   )(resid   76 and  name HN   ) 3.403 0.483 0.563 
assign (resid   76 and  name HN   )(resid   76 and  name HA   ) 3.106 0.560 0.684 
assign (resid   76 and  name HB   )(resid   76 and  name HN   ) 2.553 0.362 0.422 
assign (resid   76 and  name HG1# )(resid   76 and  name HN   ) 3.525 0.500 0.583 
assign (resid   76 and  name HN   )(resid   76 and  name HG1# ) 3.656 0.660 0.805 
assign (resid   76 and  name HG2# )(resid   76 and  name HN   ) 2.659 0.377 0.440 
assign (resid   76 and  name HN   )(resid   76 and  name HG2# ) 2.791 0.504 0.614 
assign (resid   76 and  name HG1# )(resid   76 and  name HA   ) 2.788 0.503 0.614 
assign (resid   76 and  name HA   )(resid   76 and  name HG1# ) 3.030 0.547 0.667 
assign (resid   76 and  name HG2# )(resid   76 and  name HA   ) 2.672 0.482 0.588 
assign (resid   76 and  name HA   )(resid   76 and  name HG2# ) 2.743 0.495 0.604 
assign (resid   75 and  name HN   )(resid   76 and  name HN   ) 2.814 0.399 0.465 
assign (resid   76 and  name HN   )(resid   75 and  name HN   ) 2.750 0.390 0.455 
assign (resid   75 and  name HA   )(resid   76 and  name HN   ) 3.810 0.540 0.630 
assign (resid   76 and  name HN   )(resid   75 and  name HA   ) 3.471 0.626 0.764 
assign (resid   75 and  name HB1  )(resid   76 and  name HN   ) 3.646 0.517 0.603 
assign (resid   75 and  name HB2  )(resid   76 and  name HN   ) 4.456 0.631 0.737 
assign (resid   74 and  name HN   )(resid   76 and  name HN   ) 4.787 0.679 0.791 
assign (resid   76 and  name HN   )(resid   74 and  name HN   ) 4.856 0.689 0.803 
assign (resid   76 and  name HN   )(resid   74 and  name HA   ) 3.723 0.672 0.819 
assign (resid   73 and  name HA   )(resid   76 and  name HN   ) 5.246 0.744 0.867 
assign (resid   76 and  name HN   )(resid   73 and  name HA   ) 3.718 0.671 0.818 
assign (resid   69 and  name HD*  )(resid   76 and  name HG1# ) 3.679 0.664 0.810 
assign (resid   76 and  name HG1# )(resid   69 and  name HD*  ) 3.001 0.541 0.660 
assign (resid   69 and  name HD*  )(resid   76 and  name HG2# ) 3.396 0.613 0.747 
assign (resid   68 and  name HG2# )(resid   76 and  name HN   ) 4.303 0.610 0.711 
assign (resid   76 and  name HN   )(resid   68 and  name HG2# ) 3.693 0.666 0.813 
assign (resid   76 and  name HG1# )(resid   68 and  name HN   ) 4.872 0.691 0.805 
assign ((resid 76 and name HG2#) or (resid 65 and  name HD#) or (resid 69 and name HG12))(resid 68 and name HN) 3.537 0.502 0.585 
assign (resid   76 and  name HG2# )(resid   68 and  name HB   ) 2.481 0.448 0.546 
assign (resid   68 and  name HG2# )(resid   76 and  name HG2# ) 2.464 0.444 0.542 
assign (resid   76 and  name HG2# )(resid   68 and  name HG2# ) 2.433 0.439 0.536 

! S75
assign (resid   75 and  name HA   )(resid   75 and  name HN   ) 2.974 0.422 0.492 
assign (resid   75 and  name HN   )(resid   75 and  name HA   ) 3.121 0.563 0.687 
assign (resid   75 and  name HB#  )(resid   75 and  name HN   ) 2.835 0.402 0.469 
assign (resid   74 and  name HN   )(resid   75 and  name HN   ) 2.874 0.407 0.475 
assign (resid   75 and  name HN   )(resid   74 and  name HN   ) 2.884 0.409 0.477 
assign (resid   74 and  name HA   )(resid   75 and  name HN   ) 3.593 0.510 0.594 
assign (resid   75 and  name HN   )(resid   74 and  name HA   ) 3.585 0.647 0.789 
assign (resid   74 and  name HB#  )(resid   75 and  name HN   ) 3.461 0.491 0.572 
assign (resid   73 and  name HA   )(resid   75 and  name HN   ) 4.205 0.596 0.695 
assign (resid   75 and  name HN   )(resid   73 and  name HA   ) 3.684 0.665 0.811 
assign (resid   72 and  name HA   )(resid   75 and  name HN   ) 4.815 0.683 0.796 
assign (resid   68 and  name HG2# )(resid   75 and  name HN   ) 4.750 0.638 0.744 
assign (resid   75 and  name HN   )(resid   68 and  name HG2# ) 4.306 0.777 0.948 
assign (resid   68 and  name HG2# )(resid   75 and  name HB1  ) 2.597 0.468 0.572 
assign ((resid   68 and  name HA   ) or (resid   75 and  name HB1  ))(resid   72 and  name HN   ) 3.781 0.536 0.625 

! D74
assign (resid   74 and  name HA   )(resid   74 and  name HN   ) 2.887 0.409 0.477 
assign (resid   74 and  name HN   )(resid   74 and  name HA   ) 2.951 0.532 0.650 
assign ((resid   74 and  name HB#  ) or (resid   73 and  name HB1  ))(resid   74 and  name HN   ) 2.553 0.362 0.422 
assign (resid   73 and  name HA   )(resid   74 and  name HN   ) 3.875 0.549 0.641 
assign (resid   74 and  name HN   )(resid   73 and  name HA   ) 3.543 0.639 0.780 
assign (resid   73 and  (name HB2  or  name HG1  ))(resid   74 and  name HN   ) 3.422 0.485 0.566 
assign (resid   73 and  name HG2  )(resid   74 and  name HN   ) 3.196 0.453 0.528 
assign (resid   73 and  name HD1  )(resid   74 and  name HN   ) 3.849 0.546 0.636 
assign (resid   73 and  name HD2  )(resid   74 and  name HN   ) 3.489 0.495 0.577 
assign (resid   72 and  name HN   )(resid   74 and  name HN   ) 5.628 0.798 0.930 
assign ((resid   74 or resid   75) and  name HN   )(resid   72 and  name HN   ) 5.560 0.789 0.919 
assign (resid   72 and  name HA   )(resid   74 and  name HN   ) 3.901 0.553 0.645 
assign (resid   74 and  name HN   )(resid   72 and  name HA   ) 3.228 0.582 0.711 

! P73
assign (resid   73 and  name HD1  )(resid   72 and  name HN   ) 3.455 0.490 0.571 
assign (resid   73 and  name HD2  )(resid   72 and  name HN   ) 3.836 0.544 0.634 
assign (resid   73 and  name HD1  )(resid   72 and  name HA   ) 2.582 0.466 0.568 
assign (resid   73 and  name HD2  )(resid   72 and  name HA   ) 2.297 0.414 0.506 
assign (resid   73 and  name HG1  )(resid   72 and  name HA   ) 3.743 0.675 0.824 
assign (resid   69 and  name HA   )(resid   73 and  name HA   ) 2.514 0.454 0.553 
assign (resid   73 and  name HA   )(resid   69 and  name HA   ) 2.322 0.419 0.511 
assign (resid   73 and  name HB1  )(resid   69 and  name HA   ) 3.093 0.558 0.681 
assign (resid   69 and  name HG2# )(resid   73 and  name HA   ) 3.142 0.567 0.692 
assign (resid   73 and  name HA   )(resid   69 and  name HG2# ) 3.308 0.597 0.728 
assign (resid   73 and  name HB1  )(resid   69 and  name HG2# ) 3.430 0.619 0.755 
assign (resid   73 and  name HB2  )(resid   69 and  name HG2# ) 3.717 0.671 0.818 

! D72
assign (resid   72 and  name HA   )(resid   72 and  name HN   ) 3.215 0.456 0.531 
assign (resid   72 and  name HN   )(resid   72 and  name HA   ) 2.901 0.523 0.639 
assign (resid   72 and  name HB1  )(resid   72 and  name HN   ) 3.331 0.472 0.551 
assign (resid   72 and  name HB2  )(resid   72 and  name HN   ) 3.544 0.502 0.586 
assign (resid   71 and  name HN   )(resid   72 and  name HN   ) 2.533 0.359 0.419 
assign (resid   72 and  name HN   )(resid   71 and  name HN   ) 2.534 0.359 0.419 
assign (resid   71 and  name HA   )(resid   72 and  name HN   ) 3.558 0.505 0.588 
assign (resid   72 and  name HN   )(resid   71 and  name HA   ) 3.373 0.608 0.742 
assign (resid   72 and  name HA   )(resid   71 and  name HN   ) 4.904 0.695 0.811
assign (resid   72 and  name HB1  )(resid   71 and  name HN   ) 4.458 0.632 0.737 
assign (resid   72 and  name HB2  )(resid   71 and  name HN   ) 4.458 0.632 0.737
assign (resid   71 and  name HB1  )(resid   72 and  name HN   ) 3.288 0.466 0.544 
assign (resid   71 and  name HB2  )(resid   72 and  name HN   ) 3.120 0.442 0.516 
assign (resid   71 and  name HG1  )(resid   72 and  name HN   ) 4.390 0.622 0.726 
assign (resid   70 and  name HN   )(resid   72 and  name HN   ) 4.542 0.644 0.751 
assign (resid   72 and  name HN   )(resid   70 and  name HN   ) 4.439 0.629 0.734 
assign (resid   72 and  name HN   )(resid   69 and  name HA   ) 3.718 0.671 0.818 
assign (resid   69 and  name HA   )(resid   72 and  name HN   ) 4.458 0.632 0.737 
assign (resid   72 and  name HN   )(resid   68 and  name HG2# ) 4.269 0.770 0.940 
assign (resid   68 and  name HG2# )(resid   72 and  name HN   ) 4.075 0.578 0.674 
assign (resid   72 and  name HN   )(resid   68 and  name HA   ) 3.298 0.595 0.726 
assign (resid   72 and  name HB1  )(resid   68 and  name HG2# ) 3.431 0.619 0.755 
assign (resid   72 and  name HB2  )(resid   68 and  name HG2# ) 3.774 0.681 0.831 

! E71
assign (resid   71 and  name HA   )(resid   71 and  name HN   ) 2.820 0.400 0.466 
assign (resid   71 and  name HN   )(resid   71 and  name HA   ) 2.844 0.513 0.626 
assign (resid   71 and  name HB1  )(resid   71 and  name HN   ) 3.107 0.441 0.514 
assign ((resid   71 and  name HB2  ) or (resid   70 and  name HB1  ))(resid   71 and  name HN   ) 2.547 0.361 0.421 
assign (resid   71 and  name HN   )(resid   71 and  name HB2  ) 2.787 0.503 0.613 
assign (resid   71 and  name HG#  )(resid   71 and  name HN   ) 3.401 0.482 0.562 
assign (resid   70 and  name HN   )(resid   71 and  name HN   ) 3.032 0.430 0.501 
assign (resid   71 and  name HN   )(resid   70 and  name HN   ) 2.897 0.411 0.479 
assign (resid   70 and  name HA   )(resid   71 and  name HN   ) 3.749 0.532 0.620 
assign (resid   71 and  name HN   )(resid   70 and  name HA   ) 3.549 0.640 0.781 
assign (resid   71 and  name HN   )(resid   70 and  name HB1  ) 3.314 0.598 0.729 
assign (resid   70 and  (name HB2  or  name HG1  ))(resid   71 and  name HN   ) 3.200 0.454 0.529 
assign (resid   70 and  name HG2  )(resid   71 and  name HN   ) 4.945 0.701 0.817 
assign ((resid   70 and  name HD#  ) or (resid   69 and  name HA   ))(resid   71 and  name HN   ) 4.184 0.594 0.692 
assign (resid   69 and  name HN   )(resid   71 and  name HN   ) 4.791 0.679 0.792 
assign (resid   71 and  name HN   )(resid   69 and  name HN   ) 4.164 0.591 0.688 
assign (resid   68 and  name HA   )(resid   71 and  name HN   ) 3.724 0.528 0.616 
assign (resid   71 and  name HN   )(resid   68 and  name HA   ) 3.132 0.565 0.689 
assign (resid   71 and  name HB2  )(resid   68 and  name HA   ) 3.199 0.577 0.704 
assign (resid   68 and  name HG2# )(resid   71 and  name HN   ) 4.953 0.702 0.819

! R70
assign (resid   70 and  name HA   )(resid   70 and  name HN   ) 2.796 0.396 0.462 
assign (resid   70 and  name HN   )(resid   70 and  name HA   ) 2.841 0.512 0.625 
assign ((resid   70 and  name HB1  ) or (resid   71 and  name HB2  ))(resid   70 and  name HN   ) 2.642 0.375 0.437 
assign (resid   70 and  (name HB2  or  name HG1  ))(resid   70 and  name HN   ) 2.592 0.367 0.428 
assign (resid   70 and  name HN   )(resid   70 and  name HB2  ) 2.818 0.508 0.620 
assign (resid   70 and  name HN   )(resid   70 and  name HG1  ) 2.813 0.507 0.619 
assign ((resid   70 and  name HG2  ) or (resid   69 and  name HB   ))(resid   70 and  name HN   ) 2.780 0.396 0.461 
assign (resid   70 and  name HN   )(resid   70 and  name HG2  ) 3.385 0.611 0.745 
assign ((resid   70 and  name HD#  ) or (resid   69 and  name HA   ))(resid   70 and  name HN   ) 3.356 0.476 0.555 
assign (resid   70 and  name HD#  )(resid   70 and  name HA   ) 3.455 0.623 0.761 
assign (resid   69 and  name HN   )(resid   70 and  name HN   ) 3.037 0.431 0.502 
assign (resid   70 and  name HN   )(resid   69 and  name HN   ) 2.664 0.378 0.440 
assign (resid   70 and  name HN   )(resid   69 and  name HA   ) 3.178 0.573 0.700 
assign (resid   69 and  name HG11 )(resid   70 and  name HN   ) 4.640 0.658 0.767 
assign (resid   70 and  name HN   )(resid   69 and  name HG2# ) 3.396 0.613 0.748 
assign (resid   68 and  name HN   )(resid   70 and  name HN   ) 4.711 0.668 0.779 
assign (resid   68 and  name HA   )(resid   70 and  name HN   ) 5.164 0.732 0.854 
assign (resid   68 and  name HB   )(resid   70 and  name HN   ) 5.121 0.726 0.847 
assign (resid   67 and  name HA   )(resid   70 and  name HB1  ) 3.373 0.608 0.742 
assign (resid   67 and  name HA   )(resid   70 and  name HB2  ) 3.093 0.558 0.681 
assign (resid   67 and  name HA   )(resid   70 and  name HN   ) 3.582 0.508 0.592 
assign ((resid   67 or resid   70) and  name HN   )(resid   67 and  name HA   ) 2.723 0.386 0.450 
assign (resid   70 and  name HD#  )(resid   67 and  name HA   ) 3.440 0.621 0.757 

! I69
assign ((resid   69 or resid   66) and  name HA   )(resid   69 and  name HN   ) 2.637 0.374 0.436 
assign (resid   69 and  name HN   )(resid   69 and  name HA   ) 2.809 0.507 0.618 
assign (resid   69 and  name HB   )(resid   69 and  name HN   ) 2.338 0.332 0.386 
assign (resid   69 and  name HG11 )(resid   69 and  name HN   ) 2.465 0.350 0.407 
assign (resid   69 and  name HG12 )(resid   69 and  name HN   ) 2.497 0.354 0.413 
assign (resid   69 and  name HN   )(resid   69 and  name HG2# ) 3.231 0.583 0.711 
assign (resid   69 and  name HN   )(resid   69 and  name HD*  ) 3.263 0.589 0.718 
assign (resid   69 and  name HB   )(resid   69 and  name HA   ) 3.079 0.555 0.677 
assign (resid   69 and  name HG11 )(resid   69 and  name HA   ) 2.757 0.497 0.607 
assign (resid   69 and  name HG12 )(resid   69 and  name HA   ) 2.376 0.429 0.523 
assign (resid   69 and  name HG2# )(resid   69 and  name HA   ) 2.534 0.457 0.558 
assign (resid   69 and  name HA   )(resid   69 and  name HG2# ) 2.725 0.492 0.600 
assign ((resid   69 or resid   66) and  name HA   )(resid   69 and  name HD*  ) 2.838 0.512 0.625 
assign (resid   68 and  name HN   )(resid   69 and  name HN   ) 2.708 0.384 0.448 
assign (resid   69 and  name HN   )(resid   68 and  name HN   ) 2.706 0.384 0.447 
assign (resid   68 and  name HA   )(resid   69 and  name HN   ) 3.521 0.499 0.582 
assign (resid   69 and  name HN   )(resid   68 and  name HA   ) 3.436 0.620 0.756 
assign ((resid   69 or resid   66) and  name HA   )(resid   68 and  name HN   ) 4.107 0.582 0.679 
assign (resid   68 and  name HB   )(resid   69 and  name HN   ) 2.645 0.375 0.437 
assign (resid   69 and  name HN   )(resid   68 and  name HB   ) 2.355 0.425 0.518 
assign (resid   69 and  name HB   )(resid   68 and  name HN   ) 4.145 0.588 0.685 
assign (resid   69 and  name HG11 )(resid   68 and  name HN   ) 4.560 0.647 0.754 
assign (resid   68 and  name HG2# )(resid   69 and  name HN   ) 3.330 0.472 0.550 
assign (resid   69 and  name HN   )(resid   68 and  name HG2# ) 3.928 0.708 0.864 
assign (resid   69 and  name HN   )(resid   67 and  name HN   ) 4.787 0.679 0.791 
assign (resid   67 and  name HA   )(resid   69 and  name HN   ) 4.136 0.587 0.684 
assign (resid   69 and  name HN   )(resid   66 and  name HA   ) 3.399 0.613 0.748 
assign (resid   69 and  name HD*  )(resid   66 and  name HN   ) 4.604 0.652 0.761 
assign (resid   69 and  name HD*  )(resid   66 and  name HA   ) 2.966 0.535 0.653 
assign (resid   65 and  name HA   )(resid   69 and  name HN   ) 4.136 0.587 0.684 
assign (resid   69 and  name HN   )(resid   65 and  name HA   ) 3.407 0.615 0.750 

! T68
assign (resid   68 and  name HA   )(resid   68 and  name HN   ) 2.700 0.383 0.446 
assign (resid   68 and  name HN   )(resid   68 and  name HA   ) 2.846 0.513 0.627 
assign ((resid   68 and  name HB   ) or (resid   65 and  name HA   ))(resid   68 and  name HN   ) 2.278 0.323 0.377 
assign ((resid   68 or resid   65) and  name HN   )(resid   65 and  name HA   ) 2.544 0.361 0.420 
assign (resid   68 and  name HN   )(resid   68 and  name HB   ) 2.355 0.425 0.518 
assign (resid   68 and  name HG2# )(resid   68 and  name HN   ) 3.143 0.446 0.520 
assign ((resid   67 or resid   70) and  name HN   )(resid   68 and  name HN   ) 2.638 0.374 0.436 
assign ((resid   68 or resid   65) and  name HN   )(resid   67 and  name HN   ) 2.871 0.407 0.475 
assign ((resid   67 or resid   64) and  name HA   )(resid   68 and  name HN   ) 2.998 0.425 0.496 
assign ((resid   68 or resid   65) and  name HN   )(resid   66 and  name HN   ) 2.645 0.375 0.437 
assign (resid   68 and  name HN   )(resid   67 and  name HA   ) 3.729 0.673 0.821 
assign (resid   67 and  name HB1  )(resid   68 and  name HN   ) 2.792 0.396 0.462 
assign (resid   67 and  name HB2  )(resid   68 and  name HN   ) 2.984 0.423 0.493 
assign ((resid   68 and  name HB   ) or (resid   65 and  name HA   ))(resid   67 and  name HN   ) 4.369 0.620 0.722 
assign (resid   66 and  name HN   )(resid   68 and  name HN   ) 3.994 0.566 0.660 
assign (resid   68 and  name HG2# )(resid   65 and  name HA   ) 3.500 0.500 999.0 

! D67
assign ((resid   67 or resid   64) and  name HA   )(resid   67 and  name HN   ) 2.634 0.374 0.435 
assign (resid   67 and  name HB1  )(resid   67 and  name HN   ) 2.630 0.373 0.435 
assign (resid   67 and  name HB2  )(resid   67 and  name HN   ) 2.916 0.413 0.482 
assign (resid   66 and  name HN   )(resid   67 and  name HN   ) 2.987 0.424 0.494 
assign (resid   67 and  name HN   )(resid   66 and  name HN   ) 2.719 0.386 0.449 
assign (resid   66 and  name HA   )(resid   67 and  name HN   ) 3.752 0.532 0.620 
assign ((resid   64 or resid   67) and  name HA   )(resid   66 and  name HN   ) 3.945 0.559 0.652 
assign (resid   67 and  name HN   )(resid   66 and  name HA   ) 3.260 0.588 0.717 
assign (resid   66 and  name HB   )(resid   67 and  name HN   ) 2.677 0.380 0.442 
assign (resid   66 and  name HG1# )(resid   67 and  name HN   ) 3.448 0.489 0.570 
assign (resid   66 and  name HG2# )(resid   67 and  name HN   ) 3.112 0.441 0.514 
assign (resid   66 and  name HG2# )(resid   67 and  name HA   ) 3.241 0.585 0.713 
assign (resid   67 and  name HA   )(resid   66 and  name HG2# ) 3.305 0.596 0.727 
assign (resid   67 and  name HN   )(resid   65 and  name HN   ) 4.394 0.623 0.726 
assign (resid   67 and  name HN   )(resid   64 and  name HA   ) 3.618 0.653 0.796 
assign (resid   67 and  name HB1  )(resid   64 and  name HA   ) 3.094 0.558 0.681 
assign (resid   67 and  name HB2  )(resid   64 and  name HA   ) 3.627 0.654 0.798 
assign (resid   63 and  name HA   )(resid   67 and  name HN   ) 3.986 0.565 0.659 
assign ((resid   67 and  name HN   ) or (resid   63 and  name HE21))(resid   63 and  name HA   ) 3.673 0.663 0.809 

! V66
assign (resid   66 and  name HA   )(resid   66 and  name HN   ) 2.764 0.392 0.457 
assign (resid   66 and  name HN   )(resid   66 and  name HA   ) 2.985 0.539 0.657 
assign (resid   66 and  name HB   )(resid   66 and  name HN   ) 2.233 0.317 0.369 
assign (resid   66 and  name HG1# )(resid   66 and  name HN   ) 2.294 0.325 0.379 
assign (resid   66 and  name HN   )(resid   66 and  name HG1# ) 2.407 0.434 0.530 
assign (((resid   66 or resid   62) and  name HG2# ) or (resid   65 and  name HD* ))(resid   66 and  name HN  ) 2.560 0.363 0.423 
assign (resid   66 and  name HN   )(resid   66 and  name HG2# ) 3.269 0.590 0.720 
assign (resid   66 and  name HN   )(resid   65 and  name HN   ) 2.868 0.407 0.474 
assign (resid   65 and  name HA   )(resid   66 and  name HN   ) 3.412 0.484 0.564 
assign (resid   66 and  name HN   )(resid   65 and  name HA   ) 3.694 0.666 0.813 
assign (resid   66 and  name HB   )(resid   65 and  name HN   ) 4.062 0.576 0.671 
assign (resid   65 and  name HB1  )(resid   66 and  name HN   ) 2.861 0.406 0.473 
assign (resid   65 and  name HB2  )(resid   66 and  name HN   ) 3.343 0.474 0.553 
assign ((resid   63 or resid   64) and  name HN   )(resid   66 and  name HN   ) 3.673 0.521 0.607 
assign (resid   66 and  name HN   )(resid   64 and  name HN   ) 4.460 0.632 0.737 
assign (resid   66 and  name HN   )(resid   63 and  name HN   ) 5.157 0.731 0.852 
assign (resid   63 and  name HA   )(resid   66 and  name HN   ) 2.906 0.412 0.480 
assign (resid   66 and  name HN   )(resid   63 and  name HA   ) 2.981 0.537 0.656 
assign (resid   66 and  name HB   )(resid   63 and  name HA   ) 2.484 0.448 0.547 
assign (resid   66 and  name HG1# )(resid   63 and  name HA   ) 2.842 0.513 0.626 
assign (resid   66 and  name HG2# )(resid   63 and  name HA   ) 2.902 0.523 0.639 
assign ((resid   66 or resid   62) and  name HG2# )(resid   63 and  name HE22 ) 4.123 0.585 0.682
assign ((resid   66 or resid   62) and  name HG2# )(resid   63 and  name HE21 ) 4.202 0.596 0.695
assign (resid   62 and  name HA   )(resid   66 and  name HN   ) 4.242 0.601 0.701 

! L65
assign (resid   65 and  name HA   )(resid   65 and  name HN   ) 2.831 0.402 0.469 
assign (resid   65 and  name HB1  )(resid   65 and  name HN   ) 2.525 0.358 0.417 
assign (resid   65 and  name HB2  )(resid   65 and  name HN   ) 2.847 0.404 0.471 
assign (resid   65 and  name HG   )(resid   65 and  name HN   ) 2.661 0.377 0.440 
assign (resid   65 and  name HD*  )(resid   65 and  name HN   ) 2.938 0.417 0.486 
assign (resid   65 and  name HN   )(resid   65 and  name HD2# ) 3.120 0.563 0.687 
assign (resid   65 and  name HD*  )(resid   65 and  name HA   ) 2.240 0.404 0.493 
assign (resid   65 and  name HA   )(resid   65 and  name HD1# ) 2.258 0.407 0.497 
assign (resid   65 and  name HA   )(resid   65 and  name HD2# ) 3.233 0.583 0.712 
assign ((resid   64 or resid   63) and  name HN   )(resid   65 and  name HN   ) 2.758 0.391 0.456 
assign (resid   65 and  name HN   )(resid   64 and  name HN   ) 3.002 0.426 0.496 
assign (resid   64 and  name HA   )(resid   65 and  name HN   ) 3.449 0.489 0.570 
assign (resid   65 and  name HN   )(resid   64 and  name HA   ) 3.659 0.660 0.805 
assign (resid   64 and  name HB#  )(resid   65 and  name HN   ) 2.831 0.402 0.469 
assign (resid   65 and  name HG   )(resid   64 and  name HN   ) 4.713 0.668 0.779 
assign (resid   63 and  name HA   )(resid   65 and  name HN   ) 3.938 0.558 0.651 
assign (resid   62 and  name HA   )(resid   65 and  name HN   ) 3.389 0.481 0.560 
assign (resid   65 and  name HN   )(resid   62 and  name HA   ) 3.434 0.620 0.756 
assign (resid   65 and  name HB1  )(resid   62 and  name HA   ) 3.067 0.553 0.675 
assign (resid   65 and  name HB2  )(resid   62 and  name HA   ) 3.374 0.608 0.743 

! S64
assign (resid   64 and  name HA   )(resid   64 and  name HN   ) 2.833 0.402 0.468 
assign (resid   64 and  name HN   )(resid   64 and  name HA   ) 2.920 0.527 0.643 
assign (resid   64 and  name HB#  )(resid   64 and  name HN   ) 2.399 0.340 0.397 
assign (resid   64 and  name HN   )(resid   63 and  name HN   ) 2.862 0.406 0.473 
assign (resid   64 and  name HB#  )(resid   63 and  name HN   ) 4.347 0.616 0.719 
assign (resid   63 and  name HA   )(resid   64 and  name HN   ) 3.498 0.496 0.578 
assign (resid   63 and  name HB2  )(resid   64 and  name HN   ) 2.934 0.416 0.485 
assign (resid   63 and  name HG2  )(resid   64 and  name HN   ) 4.533 0.643 0.749 
assign (resid   62 and  name HA   )(resid   64 and  name HN   ) 4.935 0.700 0.816
assign (resid   61 and  name HA   )(resid   64 and  name HN   ) 3.373 0.478 0.558
assign ((resid   64 or resid   62) and  name HN   )(resid   61 and  name HA   ) 2.908 0.525 0.640
assign (resid   64 and  name HB#  )(resid   61 and  name HA   ) 2.368 0.427 0.521 
assign (resid   60 and  name HB#  )(resid   64 and  name HN   ) 4.664 0.662 0.771

! Q63
assign (resid   63 and  name HA   )(resid   63 and  name HN   ) 2.798 0.396 0.463 
assign ((resid   63 or resid   62) and  name HN   )(resid   63 and  name HA   ) 2.742 0.495 0.604 
assign (resid   63 and  name HB#  )(resid   63 and  name HN   ) 2.521 0.357 0.417 
assign (resid   63 and  name HG1  )(resid   63 and  name HN   ) 3.407 0.483 0.563 
assign (resid   63 and  name HA   )(resid   63 and  name HE22 ) 5.144 0.729 0.850 
assign (resid   63 and  name HA   )(resid   63 and  name HE21 ) 4.606 0.653 0.761 
assign (resid   62 and  name HA   )(resid   63 and  name HN   ) 3.765 0.534 0.622 
assign ((resid   63 or resid   62) and  name HN   )(resid   62 and  name HA   ) 2.713 0.489 0.597 
assign (resid   63 and  name HB#  )(resid   62 and  name HN   ) 4.064 0.576 0.672
assign (resid   63 and  name HG1  )(resid   62 and  name HN   ) 4.805 0.681 0.794
assign (resid   62 and  name HB   )(resid   63 and  name HN   ) 2.620 0.371 0.433 
assign (resid   62 and  name HG1# )(resid   63 and  name HN   ) 3.565 0.505 0.589 
assign ((resid   62 or resid   63) and  name HN   )(resid   62 and  name HG1# ) 2.350 0.424 0.517
assign (resid   62 and  name HG2# )(resid   63 and  name HN   ) 3.313 0.470 0.548 
assign ((resid   62 or resid   63) and  name HN   )(resid   62 and  name HG2# ) 2.969 0.536 0.654
assign (resid   61 and  name HN   )(resid   63 and  name HN   ) 4.625 0.656 0.764 
assign ((resid   63 or resid   62) and  name HN   )(resid   61 and  name HN   ) 2.586 0.367 0.427 
assign (resid   61 and  name HA   )(resid   63 and  name HN   ) 4.565 0.647 0.755 
assign ((resid   60 or resid   59) and  name HA   )(resid   63 and  name HN   ) 3.231 0.458 0.534 
assign ((resid   62 or resid   63) and  name HN   )(resid   59 and  name HA   ) 2.990 0.539 0.658
assign ((resid   63 or resid   62) and  name HN   )(resid   60 and  name HA   ) 2.899 0.523 0.638 
assign (resid   63 and  name HB#  )(resid   60 and  name HA   ) 2.958 0.534 0.651 

! V62
assign (resid   62 and  name HA   )(resid   62 and  name HN   ) 2.924 0.415 0.483 
assign (resid   62 and  name HB   )(resid   62 and  name HN   ) 2.610 0.370 0.431
assign ((resid   62 and  name HG1# ) or (resid   61 and  name HG1  ))(resid   62 and  name HN   ) 2.349 0.333 0.388
assign (resid   62 and  name HG2# )(resid   62 and  name HN   ) 3.297 0.468 0.545
assign (resid   61 and  name HN   )(resid   62 and  name HN   ) 2.675 0.379 0.442
assign (resid   61 and  name HA   )(resid   62 and  name HN   ) 3.533 0.501 0.584
assign (resid   61 and  name HB1  )(resid   62 and  name HN   ) 3.371 0.478 0.557
assign (resid   61 and  name HB2  )(resid   62 and  name HN   ) 3.616 0.513 0.598
assign (resid   61 and  (name HG2  and name HD2  ))(resid   62 and  name HN   ) 4.604 0.653 0.761
assign (resid   62 and  name HB   )(resid   61 and  name HN   ) 4.382 0.621 0.724
assign (resid   61 and  name HN   )(resid   62 and  name HG1# ) 4.135 0.746 0.911
assign (resid   60 and  name HN   )(resid   62 and  name HN   ) 3.733 0.529 0.435
assign (resid   62 and  name HN   )(resid   60 and  name HN   ) 3.884 0.529 0.435
assign ((resid   62 and  name HG1# ) or (resid   61 and  name HG1  ))(resid   60 and  name HN   ) 4.576 0.649 0.756
assign ((resid   60 or resid   59) and  name HA   )(resid   62 and  name HN   ) 3.118 0.442 0.515
assign ((resid   62 and  name HB   ) or (resid   59 and  name HG1  ))(resid   59 and  name HA   ) 2.701 0.487 0.595
assign (resid   59 and  name HA   )(resid   62 and  name HG1# ) 2.780 0.502 0.612
assign (resid   62 and  name HG1# )(resid   59 and  name HA   ) 2.947 0.532 0.649
assign (resid   59 and  name HA   )(resid   62 and  name HG2# ) 3.446 0.622 0.759
assign (resid   62 and  name HG2# )(resid   59 and  name HA   ) 3.425 0.618 0.754
assign (resid   58 and  name HB1  )(resid   62 and  name HN   ) 5.062 0.718 0.837
assign (resid   58 and  name HB2  )(resid   62 and  name HN   ) 4.882 0.693 0.807
assign (resid   57 and  name HD1# )(resid   62 and  name HG1# ) 2.688 0.485 0.591
assign (resid   62 and  name HG1# )(resid   57 and  name HD1# ) 2.682 0.484 0.590
assign (resid   57 and  name HD2# )(resid   62 and  name HG1# ) 2.971 0.536 0.654
assign (resid   62 and  name HG1# )(resid   57 and  name HD2# ) 2.659 0.480 0.585

! K61
assign (resid   61 and  name HA   )(resid   61 and  name HN   ) 2.825 0.401 0.467 
assign (resid   61 and  name HN   )(resid   61 and  name HA   ) 2.886 0.521 0.635 
assign (resid   61 and  name HB1  )(resid   61 and  name HN   ) 2.660 0.377 0.440 
assign (resid   61 and  name HB2  )(resid   61 and  name HN   ) 2.549 0.361 0.421 
assign (resid   61 and  name HG1  )(resid   61 and  name HN   ) 3.226 0.457 0.533 
assign (resid   61 and  (name HG2  or name HD2  ))(resid   61 and  name HN   ) 4.207 0.597 0.695 
assign (resid   61 and  name HG1  )(resid   61 and  name HA   ) 2.725 0.492 0.600 
assign (resid   61 and  (name HG2  or name HD2  ))(resid   61 and  name HA   ) 3.057 0.552 0.673 
assign (resid   61 and  name HD1  )(resid   61 and  name HA   ) 3.500 0.500 999.0 
assign (resid   60 and  name HN   )(resid   61 and  name HN   ) 2.532 0.359 0.419 
assign (resid   61 and  name HN   )(resid   60 and  name HN   ) 2.606 0.370 0.431 
assign ((resid   60 or resid   59) and  name HA   )(resid   61 and  name HN   ) 3.154 0.447 0.521 
assign (resid   61 and  name HN   )(resid   60 and  name HA   ) 3.620 0.653 0.797 
assign (resid   60 and  name HB#  )(resid   61 and  name HN   ) 2.697 0.382 0.446 
assign (resid   61 and  name HN   )(resid   60 and  name HB#  ) 3.029 0.546 0.667 
assign (resid   61 and  name HB1  )(resid   60 and  name HN   ) 5.046 0.715 0.834 
assign (resid   61 and  name HB2  )(resid   60 and  name HN   ) 4.888 0.693 0.808 
assign (resid   61 and  name HN   )(resid   59 and  name HA   ) 3.932 0.709 0.865 
assign (resid   58 and  name HA   )(resid   61 and  name HN   ) 4.720 0.669 0.780 
assign (resid   58 and  name HB1  )(resid   61 and  name HN   ) 3.600 0.511 0.595 
assign (resid   58 and  name HB2  )(resid   61 and  name HN   ) 4.147 0.588 0.686 
assign (resid   61 and  name HB1  )(resid   58 and  name HB1  ) 3.180 0.573 0.700 
assign (resid   61 and  name HB1  )(resid   58 and  name HB2  ) 3.509 0.632 0.772 

! A60
assign (((resid   60 or resid   59) and  name HA   ) or (resid   59 and  name HD2))(resid   60 and  name HN   ) 2.661 0.377 0.440 
assign (resid   60 and  name HN   )(resid   60 and  name HA   ) 2.899 0.523 0.638 
assign (resid   60 and  name HB#  )(resid   60 and  name HN   ) 2.275 0.323 0.376 
assign (resid   60 and  name HN   )(resid   60 and  name HB#  ) 2.484 0.448 0.547 
assign (resid   60 and  name HN   )(resid   59 and  name HA   ) 4.105 0.740 0.903 
assign (resid   59 and  name HB1  )(resid   60 and  name HN   ) 4.445 0.630 0.735 
assign (resid   59 and  (name HB2  or  name HG2  ))(resid   60 and  name HN   ) 3.242 0.460 0.536 
assign (resid   59 and  name HG1  )(resid   60 and  name HN   ) 3.399 0.482 0.562 
assign (resid   60 and  name HN   )(resid   59 and  name HD2  ) 3.351 0.604 0.738 
assign (resid   60 and  name HN   )(resid   59 and  name HD1  ) 2.986 0.539 0.657 
assign (resid   59 and  name HD1  )(resid   60 and  name HN   ) 3.133 0.444 0.518 
assign (resid   59 and  name HD1  )(resid   60 and  name HB#  ) 3.216 0.580 0.708 
assign (resid   59 and  name HG1  )(resid   60 and  name HB#  ) 4.132 0.746 0.910 
assign (resid   59 and  name HG2  )(resid   60 and  name HB#  ) 3.979 0.716 0.873 
assign (resid   58 and  name HA   )(resid   60 and  name HN   ) 4.028 0.571 0.666 
assign (resid   60 and  name HN   )(resid   58 and  name HA   ) 3.394 0.612 0.747 
assign (resid   58 and  name HB1  )(resid   60 and  name HN   ) 4.789 0.679 0.792 

! P59
assign (resid   59 and  name HD1  )(resid   58 and  name HA   ) 2.063 0.372 0.454 
assign (resid   59 and  name HD2  )(resid   58 and  name HA   ) 2.093 0.378 0.461 

! D58
assign (resid   58 and  name HA   )(resid   58 and  name HN   ) 2.914 0.413 0.482 
assign (resid   58 and  name HN   )(resid   58 and  name HA   ) 2.740 0.494 0.603 
assign (resid   58 and  name HB1  )(resid   58 and  name HN   ) 2.400 0.340 0.397 
assign (resid   58 and  name HB2  )(resid   58 and  name HN   ) 2.462 0.349 0.426 
assign (resid   58 and  name HN   )(resid   57 and  name HN   ) 4.231 0.600 0.699 
assign (resid   57 and  name HA   )(resid   58 and  name HN   ) 2.020 0.286 0.334 
assign (resid   57 and  name HB1  )(resid   58 and  name HN   ) 3.082 0.437 0.509 
assign (resid   57 and  name HB2  )(resid   58 and  name HN   ) 2.785 0.394 0.460 
assign (resid   57 and  name HD2# )(resid   58 and  name HN   ) 2.868 0.407 0.474 

! L57
assign (resid   57 and  name HA   )(resid   57 and  name HN   ) 3.130 0.444 0.517 
assign (resid   57 and  name HN   )(resid   57 and  name HA   ) 3.191 0.576 0.702 
assign (resid   57 and  name HB1  )(resid   57 and  name HN   ) 2.682 0.380 0.443 
assign ((resid   57 and  name HB2  ) or (resid   56 and  name HG2#))(resid   57 and  name HN   ) 2.556 0.362 0.422 
assign (resid   57 and  name HG   )(resid   57 and  name HN   ) 2.654 0.376 0.439 
assign (resid   57 and  name HD1# )(resid   57 and  name HN   ) 3.622 0.514 0.599 
assign (resid   57 and  name HN   )(resid   57 and  name HD1# ) 3.148 0.568 0.693 
assign (resid   57 and  name HD2# )(resid   57 and  name HN   ) 3.536 0.501 0.585 
assign (resid   57 and  name HA   )(resid   57 and  name HD1# ) 3.818 0.689 0.840 
assign (resid   57 and  name HD2# )(resid   57 and  name HA   ) 2.502 0.451 0.551 
assign (resid   57 and  name HA   )(resid   57 and  name HD2# ) 2.700 0.487 0.594 
assign (resid   56 and  name HA   )(resid   57 and  name HN   ) 1.996 0.283 0.330 
assign ((resid   57 or resid   56) and  name HN   )(resid   56 and  name HA   ) 2.120 0.382 0.467 
assign (resid   56 and  name HB   )(resid   57 and  name HN   ) 3.995 0.566 0.660 
assign ((resid   56 or resid   57) and  name HN   )(resid   56 and  name HG2# ) 3.011 0.543 0.663 
assign (resid   57 and  name HG   )(resid   55 and  name HB1  ) 3.452 0.623 0.761 
assign (resid   57 and  name HG   )(resid   55 and  name HB2  ) 3.452 0.623 0.761 
assign (resid   57 and  name HD2# )(resid   55 and  name HB1  ) 2.877 0.519 0.634 
assign (resid   57 and  name HD2# )(resid   55 and  name HB2  ) 2.877 0.519 0.634 

! V56
assign (resid   56 and  name HA   )(resid   56 and  name HN   ) 3.075 0.436 0.508 
assign (resid   56 and  name HB   )(resid   56 and  name HN   ) 2.334 0.331 0.386 
assign (resid   56 and  name HG*  )(resid   56 and  name HN   ) 2.501 0.355 0.413 
assign (resid   56 and  name HN   )(resid   56 and  name HG1# ) 3.029 0.546 0.667 
assign (resid   55 and  name HN   )(resid   56 and  name HN   ) 4.611 0.654 0.762 
assign (resid   55 and  name HA   )(resid   56 and  name HN   ) 2.495 0.354 0.413 
assign (resid   56 and  name HN   )(resid   56 and  name HA   ) 2.409 0.435 0.530 
assign (resid   55 and  name HB#  )(resid   56 and  name HN   ) 2.784 0.395 0.460 
assign (resid   56 and  name HN   )(resid   55 and  name HB1  ) 3.029 0.546 0.667 
assign (resid   56 and  name HN   )(resid   55 and  name HB2  ) 3.029 0.546 0.667 

! S55
assign (resid   55 and  name HA   )(resid   55 and  name HN   ) 2.882 0.409 0.476 
assign (resid   55 and  name HN   )(resid   55 and  name HA   ) 3.372 0.608 0.742 
assign (resid   55 and  name HB#  )(resid   55 and  name HN   ) 3.041 0.431 0.503 
assign (resid   55 and  name HN   )(resid   55 and  name HB1  ) 3.345 0.611 0.747 
assign (resid   55 and  name HN   )(resid   55 and  name HB2  ) 3.178 0.580 0.710 
assign (resid   54 and  name HA   )(resid   55 and  name HN   ) 2.151 0.305 0.355 
assign (resid   55 and  name HN   )(resid   54 and  name HA   ) 2.274 0.410 0.500 
assign (resid   54 and  name HB1  )(resid   55 and  name HN   ) 3.259 0.462 0.539 
assign (resid   54 and  name HB2  )(resid   55 and  name HN   ) 3.182 0.451 0.526 
assign ((resid   55 and  name HB#  ) or (resid   54 and  name HD2))(resid   53 and  name HN   ) 4.828 0.685 0.798 

! P54
assign (resid   54 and  name HD1  )(resid   53 and  name HA   ) 2.566 0.463 0.565 
assign (resid   53 and  name HA   )(resid   54 and  name HD1  ) 2.417 0.436 0.532 
assign (resid   54 and  name HD2  )(resid   53 and  name HA   ) 2.697 0.487 0.594 
assign (resid   53 and  name HA   )(resid   54 and  name HD2  ) 2.487 0.449 0.547 
assign (resid   54 and  name HD1  )(resid   53 and  name HD2# ) 3.736 0.674 0.822 
assign (resid   54 and  name HD2  )(resid   53 and  name HD2# ) 3.869 0.698 0.852 

! L53
assign (resid   53 and  name HA   )(resid   53 and  name HN   ) 3.122 0.443 0.516 
assign (resid   53 and  name HN   )(resid   53 and  name HA   ) 2.849 0.514 0.627 
assign (resid   53 and  name HB1  )(resid   53 and  name HN   ) 3.052 0.433 0.504 
assign (resid   53 and  (name HB2  or  name HG   ))(resid   53 and  name HN   ) 3.257 0.462 0.538 
assign (resid   53 and  name HD1# )(resid   53 and  name HN   ) 4.355 0.618 0.720 
assign (resid   53 and  name HD2# )(resid   53 and  name HN   ) 4.034 0.572 0.667 
assign (resid   53 and  name HN   )(resid   53 and  name HD2# ) 3.957 0.714 0.871 
assign (resid   53 and  name HD1# )(resid   53 and  name HA   ) 3.302 0.596 0.727 
assign (resid   53 and  name HA   )(resid   53 and  name HD1# ) 3.878 0.700 0.854 
assign (resid   53 and  name HD2# )(resid   53 and  name HA   ) 2.374 0.428 0.523 
assign (resid   53 and  name HA   )(resid   53 and  name HD2# ) 2.629 0.474 0.579 
assign (resid   52 and  name HA   )(resid   53 and  name HN   ) 3.599 0.510 0.595 
assign (resid   52 and  name HB1  )(resid   53 and  name HN   ) 5.402 0.766 0.893 
assign (resid   52 and  name HG#  )(resid   53 and  name HN   ) 3.511 0.498 0.580 
assign (resid   52 and  name HD1  )(resid   53 and  name HN   ) 3.510 0.498 0.580 
assign (resid   52 and  name HD2  )(resid   53 and  name HN   ) 3.967 0.562 0.656 

! P52
assign (resid   52 and  name HD1  )(resid   51 and  name HA   ) 2.368 0.427 0.521 
assign (resid   52 and  name HD2  )(resid   51 and  name HA   ) 2.210 0.399 0.486 
assign (resid   52 and  name HG#  )(resid   50 and  name HG2# ) 2.857 0.515 0.629 
assign (resid   52 and  name HD1  )(resid   50 and  name HG2# ) 3.605 0.650 0.793 
assign (resid   52 and  name HD2  )(resid   50 and  name HG2# ) 2.879 0.519 0.634 

! R51
assign (resid   51 and  name HA   )(resid   51 and  name HN   ) 3.101 0.440 0.513
assign (resid   51 and  name HB#  )(resid   51 and  name HN   ) 2.487 0.353 0.411
assign (resid   51 and  name HG1  )(resid   51 and  name HN   ) 3.511 0.498 0.580
assign (resid   51 and  name HG2  )(resid   51 and  name HN   ) 3.114 0.442 0.515
assign (resid   50 and  name HN   )(resid   51 and  name HN   ) 4.820 0.683 0.797
assign (resid   50 and  name HA   )(resid   51 and  name HN   ) 1.973 0.280 0.326
assign (resid   51 and  name HN   )(resid   50 and  name HA   ) 2.120 0.396 0.483
assign (resid   50 and  (name HB   or  name HG12 ))(resid   51 and  name HN   ) 3.274 0.464 0.541
assign (resid   50 and  name HG2# )(resid   51 and  name HN   ) 2.659 0.377 0.440
assign (resid   51 and  name HN   )(resid   50 and  name HG2# ) 3.003 0.542 0.661

! I50
assign (resid   50 and  name HA   )(resid   50 and  name HN   ) 2.987 0.424 0.494
assign (resid   50 and  name HN   )(resid   50 and  name HA   ) 3.075 0.555 0.677
assign (resid   50 and  (name HB   or  name HG12 ))(resid   50 and  name HN   ) 2.435 0.345 0.402
assign (resid   50 and  name HG11 )(resid   50 and  name HN   ) 2.670 0.379 0.441
assign ((resid   50 and  (name HG2# or  name HD*  )) or (resid   49 and  name HD2# ))(resid   50 and  name HN   ) 2.605 0.369 0.431
assign (resid   50 and  name HN   )(resid   50 and  name HD*  ) 3.074 0.555 0.677
assign (resid   50 and  name HG11 )(resid   50 and  name HA   ) 2.779 0.501 0.612
assign (resid   50 and  name HG2# )(resid   50 and  name HA   ) 2.328 0.420 0.512
assign (resid   50 and  name HA   )(resid   50 and  name HG2# ) 2.497 0.451 0.550
assign (resid   50 and  name HA   )(resid   50 and  name HD*  ) 3.401 0.613 0.748
assign (resid   49 and  name HN   )(resid   50 and  name HN   ) 3.744 0.531 0.619
assign (resid   50 and  name HN   )(resid   49 and  name HN   ) 4.366 0.619 0.722
assign (resid   49 and  name HA   )(resid   50 and  name HN   ) 2.051 0.291 0.339
assign (resid   50 and  name HN   )(resid   49 and  name HA   ) 2.387 0.431 0.525
assign (resid   49 and  (name HB1  or  name HG   ))(resid   50 and  name HN   ) 3.649 0.517 0.603
assign (resid   49 and  name HB2  )(resid   50 and  name HN   ) 3.606 0.511 0.596
assign (resid   50 and  name HN   )(resid   49 and  name HD2# ) 3.390 0.612 0.746

! L49
assign (resid   49 and  name HA   )(resid   49 and  name HN   ) 3.121 0.443 0.516
assign (resid   49 and  name HN   )(resid   49 and  name HA   ) 2.919 0.526 0.642
assign (resid   49 and  name HB1  )(resid   49 and  name HN   ) 2.780 0.394 0.460
assign (resid   49 and  name HB2  )(resid   49 and  name HN   ) 3.078 0.437 0.509
assign (resid   49 and  name HG   )(resid   49 and  name HN   ) 2.560 0.363 0.423
assign ((resid   49 and  name HD1# ) or (resid   48 and  name HG*  ))(resid   49 and  name HN   ) 2.743 0.389 0.453
assign (resid   49 and  name HN   )(resid   49 and  name HD1# ) 3.074 0.554 0.677
assign (resid   49 and  name HD2# )(resid   49 and  name HN   ) 3.471 0.492 0.574
assign (resid   49 and  name HN   )(resid   49 and  name HD2# ) 3.549 0.640 0.781
assign (resid   49 and  name HD1# )(resid   49 and  name HA   ) 3.238 0.584 0.713
assign (resid   49 and  name HA   )(resid   49 and  name HD1# ) 3.392 0.612 0.747
assign (resid   49 and  name HD2# )(resid   49 and  name HA   ) 2.571 0.464 0.566
assign (resid   49 and  name HA   )(resid   49 and  name HD2# ) 2.665 0.481 0.587
assign (resid   48 and  name HN   )(resid   49 and  name HN   ) 2.493 0.354 0.412
assign (resid   49 and  name HN   )(resid   48 and  name HN   ) 2.500 0.355 0.413
assign (resid   48 and  name HA   )(resid   49 and  name HN   ) 3.229 0.458 0.534
assign (resid   49 and  name HN   )(resid   48 and  name HA   ) 3.247 0.586 0.715
assign (resid   48 and  name HB   )(resid   49 and  name HN   ) 4.189 0.594 0.692
assign (resid   49 and  name HN   )(resid   48 and  name HG1# ) 3.497 0.631 0.770
assign (resid   49 and  name HN   )(resid   48 and  name HG2# ) 3.128 0.564 0.688
assign (resid   47 and  name HN   )(resid   49 and  name HN   ) 4.881 0.692 0.807
assign (resid   49 and  name HN   )(resid   47 and  name HN   ) 4.736 0.672 0.783
assign (resid   47 and  name HA   )(resid   49 and  name HN   ) 4.293 0.609 0.710
assign (resid   49 and  name HN   )(resid   47 and  name HA   ) 3.575 0.645 0.787
assign (resid   49 and  name HN   )(resid   46 and  name HA   ) 3.512 0.634 0.773
assign (resid   46 and  name HA   )(resid   49 and  name HD1# ) 2.916 0.526 0.642
assign (resid   46 and  name HA   )(resid   49 and  name HD2# ) 3.976 0.717 0.875

! V48
assign (resid   48 and  name HA   )(resid   48 and  name HN   ) 2.948 0.344 0.401
assign (resid   48 and  name HN   )(resid   48 and  name HA   ) 2.690 0.485 0.592
assign (resid   48 and  name HB   )(resid   48 and  name HN   ) 3.111 0.441 0.514
assign (resid   48 and  name HG*  )(resid   48 and  name HN   ) 2.332 0.331 0.385
assign (resid   48 and  name HN   )(resid   48 and  name HG2# ) 2.693 0.486 0.593
assign (resid   48 and  name HN   )(resid   48 and  name HG1# ) 2.968 0.535 0.653
assign (resid   48 and  name HA   )(resid   48 and  name HG2# ) 3.102 0.560 0.683
assign (resid   48 and  name HA   )(resid   48 and  name HG1# ) 2.702 0.487 0.595
assign (resid   48 and  name HN   )(resid   47 and  name HN   ) 2.898 0.411 0.479
assign (resid   47 and  name HN   )(resid   48 and  name HN   ) 3.373 0.478 0.558
assign (resid   47 and  name HA   )(resid   48 and  name HN   ) 3.689 0.523 0.610
assign (resid   48 and  name HN   )(resid   47 and  name HA   ) 3.741 0.675 0.823
assign (resid   47 and  name HB1  )(resid   48 and  name HN   ) 4.579 0.649 0.757
assign ((resid   47 and  name HB2  ) or (resid   46 and  name HA   ))(resid   48 and  name HN   ) 3.817 0.541 0.631
assign (resid   48 and  name HN   )(resid   46 and  name HA   ) 3.822 0.689 0.841
assign (resid   45 and  name HG1  )(resid   48 and  name HN   ) 4.764 0.676 0.787
assign (resid   45 and  (name HB2  or  name HG2  ))(resid   48 and  name HN   ) 3.065 0.435 0.507
assign (resid   45 and  name HG1  )(resid   48 and  name HG2# ) 3.500 0.631 0.770
assign (resid   45 and  name HG2  )(resid   48 and  name HG2# ) 3.117 0.562 0.686
assign (resid   45 and  name HD1  )(resid   48 and  name HG2# ) 3.062 0.552 0.674
assign (resid   45 and  name HD2  )(resid   48 and  name HG2# ) 3.821 0.689 0.841
assign (resid   44 and  name HG*  )(resid   48 and  name HG1# ) 3.522 0.635 0.775
assign (resid   44 and  name HG*  )(resid   48 and  name HG2# ) 2.763 0.498 0.608
assign (resid   48 and  name HG*  )(resid   44 and  name HG1# ) 2.808 0.507 0.618
assign (resid   48 and  name HG*  )(resid   44 and  name HG2# ) 2.858 0.516 0.629

! S47
assign (resid   47 and  name HA   )(resid   47 and  name HN   ) 2.666 0.378 0.441
assign (resid   47 and  name HN   )(resid   47 and  name HA   ) 2.787 0.503 0.613
assign (resid   47 and  name HB1  )(resid   47 and  name HN   ) 2.776 0.394 0.459
assign ((resid   47 and  name HB2  ) or (resid   46 and  name HA   ))(resid   47 and  name HN   ) 2.493 0.354 0.412
assign (resid   46 and  name HN   )(resid   47 and  name HN   ) 3.036 0.430 0.502
assign (resid   47 and  name HN   )(resid   46 and  name HN   ) 2.927 0.415 0.484
assign (resid   47 and  name HN   )(resid   46 and  name HA   ) 3.827 0.690 0.842
assign (resid   46 and  name HB1  )(resid   47 and  name HN   ) 3.265 0.463 0.540
assign (resid   46 and  name HB2  )(resid   47 and  name HN   ) 2.934 0.416 0.485
assign (resid   46 and  name HD1# )(resid   47 and  name HN   ) 4.366 0.619 0.722
assign (resid   45 and  name HB1  )(resid   47 and  name HN   ) 3.696 0.524 0.611
assign (resid   45 and  name HB2  )(resid   47 and  name HN   ) 3.263 0.463 0.539

! L46
assign (resid   46 and  name HA   )(resid   46 and  name HN   ) 2.644 0.375 0.437
assign (resid   46 and  name HN   )(resid   46 and  name HA   ) 2.897 0.523 0.638
assign (resid   46 and  name HB1  )(resid   46 and  name HN   ) 2.929 0.415 0.484
assign (resid   46 and  name HB2  )(resid   46 and  name HN   ) 2.435 0.345 0.403
assign (resid   46 and  name HG   )(resid   46 and  name HN   ) 2.763 0.392 0.457
assign (resid   46 and  name HN   )(resid   46 and  name HD1# ) 3.208 0.578 0.706
assign (resid   46 and  name HD2# )(resid   46 and  name HN   ) 4.039 0.573 0.668
assign (resid   46 and  name HN   )(resid   46 and  name HD2# ) 4.124 0.744 0.908
assign (resid   46 and  name HD1# )(resid   46 and  name HA   ) 3.051 0.550 0.672
assign (resid   46 and  name HA   )(resid   46 and  name HD1# ) 3.326 0.600 0.732
assign (resid   46 and  name HD2# )(resid   46 and  name HA   ) 3.147 0.568 0.693
assign (resid   46 and  name HA   )(resid   46 and  name HD2# ) 3.122 0.563 0.687
assign (resid   46 and  name HN   )(resid   45 and  name HA   ) 2.123 0.383 0.467
assign (resid   45 and  name HB1  )(resid   46 and  name HN   ) 3.178 0.451 0.525
assign (resid   45 and  name HB2  )(resid   46 and  name HN   ) 3.392 0.481 0.561

! P45
assign (resid   45 and  name HD1  )(resid   44 and  name HA   ) 2.551 0.460 0.561
assign (resid   45 and  name HD2  )(resid   44 and  name HA   ) 2.275 0.410 0.501 
assign (resid   45 and  name HD1  )(resid   44 and  name HG2# ) 3.137 0.566 0.690

! V44
assign (resid   44 and  name HA   )(resid   44 and  name HN   ) 2.964 0.420 0.490
assign (resid   44 and  name HN   )(resid   44 and  name HA   ) 3.002 0.542 0.661
assign (resid   44 and  name HB   )(resid   44 and  name HN   ) 2.664 0.378 0.440
assign (resid   44 and  name HN   )(resid   44 and  name HG1# ) 2.852 0.515 0.628
assign (resid   44 and  name HN   )(resid   44 and  name HG2# ) 3.471 0.626 0.746
assign (resid   44 and  name HA   )(resid   44 and  name HG1# ) 2.938 0.530 0.647
assign (resid   44 and  name HA   )(resid   44 and  name HG2# ) 2.829 0.510 0.623
assign (resid   44 and  name HN   )(resid   43 and  name HN   ) 4.158 0.590 0.687
assign (resid   43 and  name HA   )(resid   44 and  name HN   ) 2.247 0.319 0.371
assign (resid   44 and  name HN   )(resid   43 and  name HA   ) 2.164 0.390 0.476
assign ((resid   43 and  name HB1  ) or (resid   42 and  name HB2  ))(resid   44 and  name HN   ) 3.676 0.521 0.608
assign (resid   43 and  name HB2  )(resid   44 and  name HN   ) 3.488 0.495 0.577
assign ((resid   42 or resid   93) and  name HB1  )(resid   44 and  name HG1# ) 3.399 0.613 0.748
assign (((resid 42 or resid 93) and  name HB2  ) or (resid   43 and  name HB1  ))(resid   44 and  name HG1# ) 3.601 0.650 0.793
assign ((resid   42 or resid   93) and  name HB1  )(resid   44 and  name HG2# ) 3.563 0.642 0.783
assign (((resid 42 or resid 93) and  name HB2  ) or (resid   43 and  name HB1  ))(resid   44 and  name HG2# ) 3.726 0.672 0.820

! N43
assign (resid   43 and  name HA   )(resid   43 and  name HN   ) 3.374 0.478 0.558
assign (resid   43 and  name HN   )(resid   43 and  name HA   ) 3.241 0.585 0.713
assign ((resid   43 and  name HB1  ) or (resid   42 and  name HB2  ))(resid   43 and  name HN   ) 2.634 0.373 0.435
assign (resid   43 and  name HB2  )(resid   43 and  name HN   ) 3.145 0.446 0.520
assign (resid   43 and  name HD22 )(resid   43 and  name HN   ) 3.873 0.549 0.640
assign (resid   43 and  name HN   )(resid   43 and  name HD21 ) 4.476 0.635 0.740
assign (resid   43 and  name HA   )(resid   43 and  name HD22 ) 4.422 0.627 0.731
assign (resid   43 and  name HA   )(resid   43 and  name HD21 ) 4.265 0.605 0.705
assign ((resid   43 and  name HB1  ) or (resid   42 and  name HB2  ))(resid   43 and  name HD22 ) 3.412 0.484 0.564
assign (resid   43 and  name HB2  )(resid   43 and  name HD22 ) 3.680 0.522 0.608
assign ((resid   43 and  name HB1  ) or (resid   42 and  name HB2  ))(resid   43 and  name HD21 ) 2.992 0.424 0.495
assign (resid   43 and  name HB2  )(resid   43 and  name HD21 ) 3.284 0.466 0.543
assign (resid   42 and  name HN   )(resid   43 and  name HN   ) 4.039 0.573 0.668
assign (resid   43 and  name HN   )(resid   42 and  name HN   ) 4.586 0.650 0.758
assign (resid   42 and  name HA   )(resid   43 and  name HN   ) 2.642 0.375 0.437
assign (resid   43 and  name HN   )(resid   42 and  name HA   ) 2.673 0.482 0.588
assign (resid   42 and  name HB1  )(resid   43 and  name HN   ) 2.983 0.423 0.493

! H42
assign (resid   42 and  name HB1  )(resid   42 and  name HN   ) 3.284 0.466 0.543
assign ((resid   42 and  name HB2  ) or (resid   43 and  name HB1  ))(resid   42 and  name HN   ) 2.670 0.379 0.441
assign (resid   42 and  name HD2  )(resid   42 and  name HN   ) 3.889 0.551 0.643
assign (resid   42 and  name HN   )(resid   42 and  name HD2  ) 3.980 0.658 0.804
assign (resid   42 and  name HA   )(resid   42 and  name HD2  ) 3.476 0.575 0.703
assign (resid   42 and  name HB1  )(resid   42 and  name HD2  ) 3.892 0.643 0.787
assign ((resid   42 and  name HB2  )  or (resid   43 and  name HB1  ))(resid   42 and  name HD2  ) 3.616 0.598 0.731
assign (resid   41 and  name HN   )(resid   42 and  name HN   ) 3.959 0.561 0.655
assign (resid   42 and  name HN   )(resid   41 and  name HN   ) 4.364 0.619 0.721
assign (resid   42 and  name HN   )(resid   41 and  name HA   ) 2.269 0.409 0.499
assign (resid   41 and  name HB   )(resid   42 and  name HN   ) 3.280 0.465 0.542
assign (resid   41 and  name HG2# )(resid   42 and  name HN   ) 2.496 0.354 0.413
assign (resid   42 and  name HN   )(resid   41 and  name HG1# ) 3.640 0.657 0.801
assign (resid   42 and  name HN   )(resid   41 and  name HG2# ) 3.082 0.556 0.678

! V41
assign (resid   41 and  name HA   )(resid   41 and  name HN   ) 2.877 0.408 0.476
assign (resid   41 and  name HN   )(resid   41 and  name HA   ) 2.962 0.534 0.490
assign (resid   41 and  name HB   )(resid   41 and  name HN   ) 2.203 0.312 0.364
assign (resid   41 and  name HG1# )(resid   41 and  name HN   ) 2.478 0.351 0.410
assign (resid   41 and  name HN   )(resid   41 and  name HG1# ) 2.887 0.521 0.635
assign (resid   41 and  name HN   )(resid   41 and  name HG2# ) 3.697 0.667 0.814
assign (resid   40 and  name HN   )(resid   41 and  name HN   ) 3.849 0.546 0.636
assign (resid   41 and  name HN   )(resid   40 and  name HN   ) 3.748 0.531 0.619
assign (resid   40 and  name HA   )(resid   41 and  name HN   ) 2.191 0.311 0.362
assign (resid   41 and  name HN   )(resid   40 and  name HA   ) 2.436 0.439 0.536
assign (resid   40 and  name HB#  )(resid   41 and  name HN   ) 2.477 0.351 0.410
assign (resid   41 and  name HN   )(resid   40 and  name HB#  ) 2.828 0.510 0.622

! A40
assign (resid   40 and  name HN   )(resid   40 and  name HA   ) 3.547 0.640 0.781
assign ((resid   40 or resid   39) and  name HB#  )(resid   40 and  name HN   ) 2.372 0.336 0.392
assign (resid   40 and  name HN   )(resid   40 and  name HB#  ) 3.048 0.550 0.671
assign (resid   39 and  name HN   )(resid   40 and  name HN   ) 3.706 0.525 0.613
assign ((resid   40 or resid   38) and  name HN   )(resid   39 and  name HN   ) 3.859 0.547 0.638
assign (resid   39 and  name HA   )(resid   40 and  name HN   ) 2.329 0.330 0.385
assign (resid   40 and  name HN   )(resid   39 and  name HA   ) 2.225 0.401 0.490
assign ((resid   40 or resid   38) and  name HN   )(resid   39 and  name HB#  ) 3.028 0.546 0.666
assign (resid   39 and  name HA   )(resid   40 and  name HB#  ) 3.557 0.642 0.783
assign (resid   38 and  name HG2# )(resid   40 and  name HN   ) 3.741 0.531 0.618
assign ((resid   40 or resid   38) and  name HN   )(resid   38 and  name HG2# ) 3.824 0.690 0.842
assign ((resid   39 or resid   40) and  name HB#  )(resid   38 and  name HD*  ) 4.217 0.761 0.928

! A39
assign (resid   39 and  name HA   )(resid   39 and  name HN   ) 2.814 0.399 0.465
assign (resid   39 and  name HN   )(resid   39 and  name HA   ) 3.618 0.653 0.796
assign (resid   39 and  name HB#  )(resid   39 and  name HN   ) 2.490 0.353 0.412
assign (resid   39 and  name HN   )(resid   38 and  name HN   ) 4.069 0.577 0.673
assign (resid   38 and  name HA   )(resid   39 and  name HN   ) 2.181 0.309 0.361
assign (resid   39 and  name HN   )(resid   38 and  name HA   ) 2.694 0.486 0.593
assign (resid   38 and  name HB   )(resid   39 and  name HN   ) 3.994 0.566 0.660
assign (resid   38 and  name HG12 )(resid   39 and  name HN   ) 3.898 0.553 0.645
assign (resid   39 and  name HN   )(resid   38 and  name HG2# ) 4.158 0.750 0.915
assign (resid   39 and  name HB#  )(resid   38 and  name HN   ) 3.936 0.560 0.652
assign (resid   39 and  name HB#  )(resid   38 and  name HA   ) 3.835 0.692 0.844
assign (resid   38 and  name HA   )(resid   39 and  name HB#  ) 4.357 0.786 0.959

! I38
assign (resid   38 and  name HA   )(resid   38 and  name HN   ) 3.127 0.443 0.517
assign (resid   38 and  name HN   )(resid   38 and  name HA   ) 3.721 0.671 0.819
assign ((resid   38 and  name HB   ) or (resid   37 and  name HB1  ))(resid   38 and  name HN   ) 2.513 0.356 0.415
assign (resid   38 and  name HG11 )(resid   38 and  name HN   ) 3.404 0.483 0.563
assign (resid   38 and  name HG12 )(resid   38 and  name HN   ) 3.344 0.474 0.553
assign (resid   38 and  name HG2# )(resid   38 and  name HN   ) 3.482 0.494 0.576 
assign (resid   38 and  name HN   )(resid   38 and  name HD*  ) 5.300 0.956 1.167
assign (resid   38 and  name HG2# )(resid   38 and  name HA   ) 2.787 0.503 0.613
assign (resid   38 and  name HA   )(resid   38 and  name HG2# ) 3.121 0.563 0.687
assign (resid   38 and  name HA   )(resid   38 and  name HD*  ) 3.573 0.644 0.787
assign (resid   37 and  name HA   )(resid   38 and  name HN   ) 2.273 0.332 0.376
assign (resid   38 and  name HN   )(resid   37 and  name HA   ) 2.752 0.496 0.606
assign (resid   37 and  name HB2  )(resid   38 and  name HN   ) 4.312 0.611 0.713

set message=off echo=off end
restraints dihedral reset
!!
!! Phi Psi restraints via talos

!! A18
 assign (resid  17 and name c )   (resid  18 and name n )
        (resid  18 and name ca)   (resid  18 and name c )  1.0 -100.0 70.00 2
!! P19
 assign (resid  18 and name c )   (resid  19 and name n )
        (resid  19 and name ca)   (resid  19 and name c )  1.0 -100.0 70.00 2
!! E20
 assign (resid  19 and name c )   (resid  20 and name n )
        (resid  20 and name ca)   (resid  20 and name c )  1.0 -100.0 70.00 2
!! P22
 assign (resid  21 and name c )   (resid  22 and name n )
        (resid  22 and name ca)   (resid  22 and name c )  1.0 -100.0 70.00 2
!! P24
 assign (resid  23 and name c )   (resid  24 and name n )
        (resid  24 and name ca)   (resid  24 and name c )  1.0 -100.0 70.00 2
!! S25
 assign (resid  24 and name c )   (resid  25 and name n )
        (resid  25 and name ca)   (resid  25 and name c )  1.0 -100.0 70.00 2
!! A28
 assign (resid  27 and name c )   (resid  28 and name n )
        (resid  28 and name ca)   (resid  28 and name c )  1.0 -74.00 18.00 2
!! A28
 assign (resid  28 and name n )   (resid  28 and name ca)
        (resid  28 and name c )   (resid  29 and name n )  1.0 -30.00 26.00 2
!! Q29
 assign (resid  28 and name c )   (resid  29 and name n )
        (resid  29 and name ca)   (resid  29 and name c )  1.0 -100.0 70.00 2
!! S32
 assign (resid  31 and name c )   (resid  32 and name n )
        (resid  32 and name ca)   (resid  32 and name c )  1.0 -106.0 80.00 2
!! S32
 assign (resid  32 and name n )   (resid  32 and name ca)
        (resid  32 and name c )   (resid  33 and name n )  1.0  148.0 32.00 2
!! I33
 assign (resid  32 and name c )   (resid  33 and name n )
        (resid  33 and name ca)   (resid  33 and name c )  1.0 -100.0 70.00 2
!! H34
 assign (resid  33 and name c )   (resid  34 and name n )
        (resid  34 and name ca)   (resid  34 and name c )  1.0 -100.0 70.00 2
!! S35
 assign (resid  34 and name c )   (resid  35 and name n )
        (resid  35 and name ca)   (resid  35 and name c )  1.0 -100.0 70.00 2
!! R37
 assign (resid  36 and name c )   (resid  37 and name n )
        (resid  37 and name ca)   (resid  37 and name c )  1.0 -100.0 70.00 2
!! I38
 assign (resid  37 and name c )   (resid  38 and name n )
        (resid  38 and name ca)   (resid  38 and name c )  1.0 -100.0 70.00 2
!! A39
 assign (resid  38 and name c )   (resid  39 and name n )
        (resid  39 and name ca)   (resid  39 and name c )  1.0 -100.0 70.00 2
!! A40
 assign (resid  39 and name c )   (resid  40 and name n )
        (resid  40 and name ca)   (resid  40 and name c )  1.0 -102.0 60.00 2
!! A40
 assign (resid  40 and name n )   (resid  40 and name ca)
        (resid  40 and name c )   (resid  41 and name n )  1.0  137.0 46.00 2
!! V41
 assign (resid  40 and name c )   (resid  41 and name n )
        (resid  41 and name ca)   (resid  41 and name c )  1.0 -104.4 28.60 2
!! V41
 assign (resid  41 and name n )   (resid  41 and name ca)
        (resid  41 and name c )   (resid  42 and name n )  1.0  134.5 24.60 2
!! H42
 assign (resid  41 and name c )   (resid  42 and name n )
        (resid  42 and name ca)   (resid  42 and name c )  1.0 -129.9 44.40 2
!! H42
 assign (resid  42 and name n )   (resid  42 and name ca)
        (resid  42 and name c )   (resid  43 and name n )  1.0  148.6 23.60 2
!! N43
 assign (resid  42 and name c )   (resid  43 and name n )
        (resid  43 and name ca)   (resid  43 and name c )  1.0 -104.0 48.40 2
!! N43
 assign (resid  43 and name n )   (resid  43 and name ca)
        (resid  43 and name c )   (resid  44 and name n )  1.0  122.6 29.20 2
!! V44
 assign (resid  43 and name c )   (resid  44 and name n )
        (resid  44 and name ca)   (resid  44 and name c )  1.0 -113.7 45.40 2
!! V44
 assign (resid  44 and name n )   (resid  44 and name ca)
        (resid  44 and name c )   (resid  45 and name n )  1.0  123.6 36.20 2
!! P45
 assign (resid  44 and name c )   (resid  45 and name n )
        (resid  45 and name ca)   (resid  45 and name c )  1.0 -62.10 11.20 2
!! P45
 assign (resid  45 and name n )   (resid  45 and name ca)
        (resid  45 and name c )   (resid  46 and name n )  1.0  123.6 36.20 2
!! L46
 assign (resid  45 and name c )   (resid  46 and name n )
        (resid  46 and name ca)   (resid  46 and name c )  1.0 -57.00 16.00 2
!! L46
 assign (resid  46 and name n )   (resid  46 and name ca)
        (resid  46 and name c )   (resid  47 and name n )  1.0  -40.0 28.00 2
!! S47
 assign (resid  46 and name c )   (resid  47 and name n )
        (resid  47 and name ca)   (resid  47 and name c )  1.0 -63.30 19.80 2
!! S47
 assign (resid  47 and name n )   (resid  47 and name ca)
        (resid  47 and name c )   (resid  48 and name n )  1.0 -28.00 15.10 2
!! V48
 assign (resid  47 and name c )   (resid  48 and name n )
        (resid  48 and name ca)   (resid  48 and name c )  1.0 -100.6 33.90 2
!! V48
 assign (resid  48 and name n )   (resid  48 and name ca)
        (resid  48 and name c )   (resid  49 and name n )  1.0 -10.20 36.40 2
!! L49
 assign (resid  48 and name c )   (resid  49 and name n )
        (resid  49 and name ca)   (resid  49 and name c )  1.0 -72.20 25.70 2
!! L49
 assign (resid  49 and name n )   (resid  49 and name ca)
        (resid  49 and name c )   (resid  50 and name n )  1.0 127.00 47.60 2
!! I50
 assign (resid  49 and name c )   (resid  50 and name n )
        (resid  50 and name ca)   (resid  50 and name c )  1.0 -82.00 32.60 2
!! I50
 assign (resid  50 and name n )   (resid  50 and name ca)
        (resid  50 and name c )   (resid  51 and name n )  1.0 125.00 20.40 2
!! R51
 assign (resid  50 and name c )   (resid  51 and name n )
        (resid  51 and name ca)   (resid  51 and name c )  1.0 -94.40 37.20 2
!! R51
 assign (resid  51 and name n )   (resid  51 and name ca)
        (resid  51 and name c )   (resid  52 and name n )  1.0 144.20 40.90 2
!! L53
 assign (resid  52 and name c )   (resid  53 and name n )
        (resid  53 and name ca)   (resid  53 and name c )  1.0 -98.80 41.60 2
!! L53
 assign (resid  53 and name n )   (resid  53 and name ca)
        (resid  53 and name c )   (resid  54 and name n )  1.0 140.10 50.80 2
!! P54
 assign (resid  53 and name c )   (resid  54 and name n )
        (resid  54 and name ca)   (resid  54 and name c )  1.0 -59.50 14.20 2
!! P54 
 assign (resid  54 and name n )   (resid  54 and name ca)
        (resid  54 and name c )   (resid  55 and name n )  1.0 144.70 23.90 2
!! S55
 assign (resid  54 and name c )   (resid  55 and name n )
        (resid  55 and name ca)   (resid  55 and name c )  1.0 -111.5 72.30 2
!! S55 
 assign (resid  55 and name n )   (resid  55 and name ca)
        (resid  55 and name c )   (resid  56 and name n )  1.0 137.20 31.00 2
!! V56
 assign (resid  55 and name c )   (resid  56 and name n )
        (resid  56 and name ca)   (resid  56 and name c )  1.0 -80.70 37.60 2
!! V56 
 assign (resid  56 and name n )   (resid  56 and name ca)
        (resid  56 and name c )   (resid  57 and name n )  1.0 126.70 15.70 2
!! L57
 assign (resid  56 and name c )   (resid  57 and name n )
        (resid  57 and name ca)   (resid  57 and name c )  1.0 -99.70 44.80 2
!! L57 
 assign (resid  57 and name n )   (resid  57 and name ca)
        (resid  57 and name c )   (resid  58 and name n )  1.0 123.90 20.20 2
!! D58
 assign (resid  57 and name c )   (resid  58 and name n )
        (resid  58 and name ca)   (resid  58 and name c )  1.0 -96.80 48.10 2
!! D58 
 assign (resid  58 and name n )   (resid  58 and name ca)
        (resid  58 and name c )   (resid  59 and name n )  1.0 116.50 46.50 2
!! A60
 assign (resid  59 and name c )   (resid  60 and name n )
        (resid  60 and name ca)   (resid  60 and name c )  1.0 -67.00 17.80 2
!! A60 
 assign (resid  60 and name n )   (resid  60 and name ca)
        (resid  60 and name c )   (resid  61 and name n )  1.0 -39.60  9.10 2
!! K61
 assign (resid  60 and name c )   (resid  61 and name n )
        (resid  61 and name ca)   (resid  61 and name c )  1.0 -66.80  9.50 2
!! K61 
 assign (resid  61 and name n )   (resid  61 and name ca)
        (resid  61 and name c )   (resid  62 and name n )  1.0 -40.40  7.50 2
!! V62
 assign (resid  61 and name c )   (resid  62 and name n )
        (resid  62 and name ca)   (resid  62 and name c )  1.0 -64.20  6.90 2
!! V62 
 assign (resid  62 and name n )   (resid  62 and name ca)
        (resid  62 and name c )   (resid  63 and name n )  1.0 -44.40  8.40 2
!! Q63
 assign (resid  62 and name c )   (resid  63 and name n )
        (resid  63 and name ca)   (resid  63 and name c )  1.0 -58.40  8.10 2
!! Q63 
 assign (resid  63 and name n )   (resid  63 and name ca)
        (resid  63 and name c )   (resid  64 and name n )  1.0 -42.50  7.50 2
!! S64
 assign (resid  63 and name c )   (resid  64 and name n )
        (resid  64 and name ca)   (resid  64 and name c )  1.0 -62.60  9.00 2
!! S64 
 assign (resid  64 and name n )   (resid  64 and name ca)
        (resid  64 and name c )   (resid  65 and name n )  1.0 -42.20  4.40 2
!! L65
 assign (resid  64 and name c )   (resid  65 and name n )
        (resid  65 and name ca)   (resid  65 and name c )  1.0 -66.10 18.60 2
!! L65 
 assign (resid  65 and name n )   (resid  65 and name ca)
        (resid  65 and name c )   (resid  66 and name n )  1.0 -39.90 12.80 2
!! V66
 assign (resid  65 and name c )   (resid  66 and name n )
        (resid  66 and name ca)   (resid  66 and name c )  1.0 -65.50  7.60 2
!! V66 
 assign (resid  66 and name n )   (resid  66 and name ca)
        (resid  66 and name c )   (resid  67 and name n )  1.0 -42.80 12.10 2
!! D67
 assign (resid  66 and name c )   (resid  67 and name n )
        (resid  67 and name ca)   (resid  67 and name c )  1.0 -62.10 12.80 2
!! D67 
 assign (resid  67 and name n )   (resid  67 and name ca)
        (resid  67 and name c )   (resid  68 and name n )  1.0 -38.40 17.70 2
!! T68
 assign (resid  67 and name c )   (resid  68 and name n )
        (resid  68 and name ca)   (resid  68 and name c )  1.0 -66.70 12.40 2
!! T68 
 assign (resid  68 and name n )   (resid  68 and name ca)
        (resid  68 and name c )   (resid  69 and name n )  1.0 -40.70 10.60 2
!! I69
 assign (resid  68 and name c )   (resid  69 and name n )
        (resid  69 and name ca)   (resid  69 and name c )  1.0 -63.70  5.60 2
!! I69 
 assign (resid  69 and name n )   (resid  69 and name ca)
        (resid  69 and name c )   (resid  70 and name n )  1.0 -47.20 12.00 2
!! R70
 assign (resid  69 and name c )   (resid  70 and name n )
        (resid  70 and name ca)   (resid  70 and name c )  1.0 -62.70 14.10 2
!! R70 
 assign (resid  70 and name n )   (resid  70 and name ca)
        (resid  70 and name c )   (resid  71 and name n )  1.0 -38.50 18.80 2
!! E71
 assign (resid  70 and name c )   (resid  71 and name n )
        (resid  71 and name ca)   (resid  71 and name c )  1.0 -74.40 24.40 2
!! E71 
 assign (resid  71 and name n )   (resid  71 and name ca)
        (resid  71 and name c )   (resid  72 and name n )  1.0 -33.20 40.40 2
!! D74
 assign (resid  73 and name c )   (resid  74 and name n )
        (resid  74 and name ca)   (resid  74 and name c )  1.0 -64.10 28.10 2
!! D74 
 assign (resid  74 and name n )   (resid  74 and name ca)
        (resid  74 and name c )   (resid  75 and name n )  1.0 -32.40 52.50 2
!! V76
 assign (resid  75 and name c )   (resid  76 and name n )
        (resid  76 and name ca)   (resid  76 and name c )  1.0 -104.1 50.70 2
!! V76 
 assign (resid  76 and name n )   (resid  76 and name ca)
        (resid  76 and name c )   (resid  77 and name n )  1.0 121.00 55.60 2
!! P77
 assign (resid  76 and name c )   (resid  77 and name n )
        (resid  77 and name ca)   (resid  77 and name c )  1.0 -65.00 14.10 2
!! P77 
 assign (resid  77 and name n )   (resid  77 and name ca)
        (resid  77 and name c )   (resid  78 and name n )  1.0 148.10 21.60 2
!! D80
 assign (resid  79 and name c )   (resid  80 and name n )
        (resid  80 and name ca)   (resid  80 and name c )  1.0 -86.00 27.30 2
!! D80 
 assign (resid  80 and name n )   (resid  80 and name ca)
        (resid  80 and name c )   (resid  81 and name n )  1.0 127.50 31.60 2
!! V81
 assign (resid  80 and name c )   (resid  81 and name n )
        (resid  81 and name ca)   (resid  81 and name c )  1.0 -124.3 11.10 2
!! V81 
 assign (resid  81 and name n )   (resid  81 and name ca)
        (resid  81 and name c )   (resid  82 and name n )  1.0 132.30 14.00 2
!! L82
 assign (resid  81 and name c )   (resid  82 and name n )
        (resid  82 and name ca)   (resid  82 and name c )  1.0 -112.6 26.70 2
!! L82 
 assign (resid  82 and name n )   (resid  82 and name ca)
        (resid  82 and name c )   (resid  83 and name n )  1.0 120.40 26.10 2
!! W83
 assign (resid  82 and name c )   (resid  83 and name n )
        (resid  83 and name ca)   (resid  83 and name c )  1.0 -106.9 24.30 2
!! W83 
 assign (resid  83 and name n )   (resid  83 and name ca)
        (resid  83 and name c )   (resid  84 and name n )  1.0 122.60 17.40 2
!! I84
 assign (resid  83 and name c )   (resid  84 and name n )
        (resid  84 and name ca)   (resid  84 and name c )  1.0 -127.0 34.10 2
!! I84 
 assign (resid  84 and name n )   (resid  84 and name ca)
        (resid  84 and name c )   (resid  85 and name n )  1.0 132.00 28.20 2
!! K85
 assign (resid  84 and name c )   (resid  85 and name n )
        (resid  85 and name ca)   (resid  85 and name c )  1.0 -113.0 34.00 2
!! K85 
 assign (resid  85 and name n )   (resid  85 and name ca)
        (resid  85 and name c )   (resid  86 and name n )  1.0 137.80 16.60 2
!! A87
 assign (resid  86 and name c )   (resid  87 and name n )
        (resid  87 and name ca)   (resid  87 and name c )  1.0 -60.70 11.40 2
!! A87 
 assign (resid  87 and name n )   (resid  87 and name ca)
        (resid  87 and name c )   (resid  88 and name n )  1.0 -27.80 19.40 2
!! Q88
 assign (resid  86 and name c )   (resid  87 and name n )
        (resid  87 and name ca)   (resid  87 and name c )  1.0 -96.00 28.00 2
!! Q88 
 assign (resid  87 and name n )   (resid  87 and name ca)
        (resid  87 and name c )   (resid  88 and name n )  1.0  8.000 26.00 2
!! D91
 assign (resid  90 and name c )   (resid  91 and name n )
        (resid  91 and name ca)   (resid  91 and name c )  1.0 -108.0 64.00 2
!! D91 
 assign (resid  91 and name n )   (resid  91 and name ca)
        (resid  91 and name c )   (resid  92 and name n )  1.0 146.00 42.00 2
!! Y92
 assign (resid  91 and name c )   (resid  92 and name n )
        (resid  92 and name ca)   (resid  92 and name c )  1.0 -115.6 29.60 2
!! Y92 
 assign (resid  92 and name n )   (resid  92 and name ca)
        (resid  92 and name c )   (resid  93 and name n )  1.0 133.30 32.00 2
!! F93
 assign (resid  92 and name c )   (resid  93 and name n )
        (resid  93 and name ca)   (resid  93 and name c )  1.0 -110.5 32.30 2
!! F93 
 assign (resid  93 and name n )   (resid  93 and name ca)
        (resid  93 and name c )   (resid  94 and name n )  1.0 127.10 20.60 2
!! Y94
 assign (resid  93 and name c )   (resid  94 and name n )
        (resid  94 and name ca)   (resid  94 and name c )  1.0 -133.6 47.40 2
!! Y94 
 assign (resid  94 and name n )   (resid  94 and name ca)
        (resid  94 and name c )   (resid  95 and name n )  1.0 156.40 31.10 2
!! S95
 assign (resid  94 and name c )   (resid  95 and name n )
        (resid  95 and name ca)   (resid  95 and name c )  1.0 -110.2 60.60 2
!! S95 
 assign (resid  95 and name n )   (resid  95 and name ca)
        (resid  95 and name c )   (resid  96 and name n )  1.0 135.50 24.70 2
!! F96
 assign (resid  95 and name c )   (resid  96 and name n )
        (resid  96 and name ca)   (resid  96 and name c )  1.0 -98.60 61.80 2
!! F96 
 assign (resid  96 and name n )   (resid  96 and name ca)
        (resid  96 and name c )   (resid  97 and name n )  1.0 143.90 43.30 2
!! C99
 assign (resid  98 and name c )   (resid  99 and name n )
        (resid  99 and name ca)   (resid  99 and name c )  1.0 -62.60 11.90 2
!! C99 
 assign (resid  99 and name n )   (resid  99 and name ca)
        (resid  99 and name c )   (resid 100 and name n )  1.0 -41.00 15.40 2
!! H100
 assign (resid  99 and name c )   (resid 100 and name n )
        (resid 100 and name ca)   (resid 100 and name c )  1.0 -66.90 11.80 2
!! H100
 assign (resid 100 and name n )   (resid 100 and name ca)
        (resid 100 and name c )   (resid 101 and name n )  1.0 -37.50 17.60 2
!! R101
 assign (resid 100 and name c )   (resid 101 and name n )
        (resid 101 and name ca)   (resid 101 and name c )  1.0 -62.80  8.90 2
!! R101
 assign (resid 101 and name n )   (resid 101 and name ca)
        (resid 101 and name c )   (resid 102 and name n )  1.0 -42.30  9.90 2
!! Y102
 assign (resid 101 and name c )   (resid 102 and name n )
        (resid 102 and name ca)   (resid 102 and name c )  1.0 -63.50 10.10 2
!! Y102
 assign (resid 102 and name n )   (resid 102 and name ca)
        (resid 102 and name c )   (resid 103 and name n )  1.0 -44.30 19.80 2
!! A103
 assign (resid 102 and name c )   (resid 103 and name n )
        (resid 103 and name ca)   (resid 103 and name c )  1.0 -66.60  7.90 2
!! A103
 assign (resid 103 and name n )   (resid 103 and name ca)
        (resid 103 and name c )   (resid 104 and name n )  1.0 -33.10 15.10 2
!! A104
 assign (resid 103 and name c )   (resid 104 and name n )
        (resid 104 and name ca)   (resid 104 and name c )  1.0 -69.60 14.00 2
!! A104
 assign (resid 104 and name n )   (resid 104 and name ca)
        (resid 104 and name c )   (resid 105 and name n )  1.0 -38.70 14.40 2
!! Y105
 assign (resid 104 and name c )   (resid 105 and name n )
        (resid 105 and name ca)   (resid 105 and name c )  1.0 -62.80 16.00 2
!! Y105
 assign (resid 105 and name n )   (resid 105 and name ca)
        (resid 105 and name c )   (resid 106 and name n )  1.0 -43.80  9.20 2
!! Q106
 assign (resid 105 and name c )   (resid 106 and name n )
        (resid 106 and name ca)   (resid 106 and name c )  1.0 -63.00  7.60 2
!! Q106
 assign (resid 106 and name n )   (resid 106 and name ca)
        (resid 106 and name c )   (resid 107 and name n )  1.0 -35.00 17.00 2
!! Q107
 assign (resid 106 and name c )   (resid 107 and name n )
        (resid 107 and name ca)   (resid 107 and name c )  1.0 -64.40 11.30 2
!! Q107
 assign (resid 107 and name n )   (resid 107 and name ca)
        (resid 107 and name c )   (resid 108 and name n )  1.0 -32.50 23.10 2
!! L108
 assign (resid 107 and name c )   (resid 108 and name n )
        (resid 108 and name ca)   (resid 108 and name c )  1.0 -88.40 25.70 2
!! L108
 assign (resid 108 and name n )   (resid 108 and name ca)
        (resid 108 and name c )   (resid 109 and name n )  1.0 -0.300 31.00 2
!! Q109
 assign (resid 108 and name c )   (resid 109 and name n )
        (resid 109 and name ca)   (resid 109 and name c )  1.0  59.00 14.00 2
!! Q109
 assign (resid 109 and name n )   (resid 109 and name ca)
        (resid 109 and name c )   (resid 110 and name n )  1.0  40.00 20.00 2
!! T112
 assign (resid 111 and name c )   (resid 112 and name n )
        (resid 112 and name ca)   (resid 112 and name c )  1.0 -117.7 38.10 2
!! T112
 assign (resid 112 and name n )   (resid 112 and name ca)
        (resid 112 and name c )   (resid 113 and name n )  1.0  156.9 17.60 2
!! I113
 assign (resid 112 and name c )   (resid 113 and name n )
        (resid 113 and name ca)   (resid 113 and name c )  1.0 -117.7 38.10 2
!! I113
 assign (resid 113 and name n )   (resid 113 and name ca)
        (resid 113 and name c )   (resid 114 and name n )  1.0  156.9 17.60 2
!! P114
 assign (resid 113 and name c )   (resid 114 and name n )
        (resid 114 and name ca)   (resid 114 and name c )  1.0 -88.00 42.00 2
!! P114
 assign (resid 114 and name n )   (resid 114 and name ca)
        (resid 114 and name c )   (resid 115 and name n )  1.0  127.0 30.00 2
!! A115
 assign (resid 114 and name c )   (resid 115 and name n )
        (resid 115 and name ca)   (resid 115 and name c )  1.0 -121.2 33.00 2
!! A115
 assign (resid 115 and name n )   (resid 115 and name ca)
        (resid 115 and name c )   (resid 116 and name n )  1.0  137.9 29.50 2
!! K116
 assign (resid 115 and name c )   (resid 116 and name n )
        (resid 116 and name ca)   (resid 116 and name c )  1.0 -94.80 31.70 2
!! K116
 assign (resid 116 and name n )   (resid 116 and name ca)
        (resid 116 and name c )   (resid 117 and name n )  1.0  128.8 23.30 2
!! L117
 assign (resid 116 and name c )   (resid 117 and name n )
        (resid 117 and name ca)   (resid 117 and name c )  1.0 -95.90 27.50 2
!! L117
 assign (resid 117 and name n )   (resid 117 and name ca)
        (resid 117 and name c )   (resid 118 and name n )  1.0  127.0 24.90 2
!! V118
 assign (resid 117 and name c )   (resid 118 and name n )
        (resid 118 and name ca)   (resid 118 and name c )  1.0 -108.8 33.50 2
!! V118
 assign (resid 118 and name n )   (resid 118 and name ca)
        (resid 118 and name c )   (resid 119 and name n )  1.0  129.9 26.70 2
!! S120
 assign (resid 119 and name c )   (resid 120 and name n )
        (resid 120 and name ca)   (resid 120 and name c )  1.0 -117.0 60.00 2
!! S120
 assign (resid 120 and name n )   (resid 120 and name ca)
        (resid 120 and name c )   (resid 121 and name n )  1.0  131.0 50.00 2
!! T121
 assign (resid 120 and name c )   (resid 121 and name n )
        (resid 121 and name ca)   (resid 121 and name c )  1.0 -97.00 36.00 2
!! T121
 assign (resid 121 and name n )   (resid 121 and name ca)
        (resid 121 and name c )   (resid 122 and name n )  1.0  173.0 12.00 2
!! L122
 assign (resid 121 and name c )   (resid 122 and name n )
        (resid 122 and name ca)   (resid 122 and name c )  1.0 -58.00 6.200 2
!! L122
 assign (resid 122 and name n )   (resid 122 and name ca)
        (resid 122 and name c )   (resid 123 and name n )  1.0 -37.50 16.60 2
!! S123
 assign (resid 122 and name c )   (resid 123 and name n )
        (resid 123 and name ca)   (resid 123 and name c )  1.0 -66.00 11.70 2
!! S123
 assign (resid 123 and name n )   (resid 123 and name ca)
        (resid 123 and name c )   (resid 124 and name n )  1.0 -39.00 10.30 2
!! D124
 assign (resid 123 and name c )   (resid 124 and name n )
        (resid 124 and name ca)   (resid 124 and name c )  1.0 -67.10 11.10 2
!! D124
 assign (resid 124 and name n )   (resid 124 and name ca)
        (resid 124 and name c )   (resid 125 and name n )  1.0 -41.00 11.50 2
!! L125
 assign (resid 124 and name c )   (resid 125 and name n )
        (resid 125 and name ca)   (resid 125 and name c )  1.0 -67.10 14.50 2
!! L125
 assign (resid 125 and name n )   (resid 125 and name ca)
        (resid 125 and name c )   (resid 126 and name n )  1.0 -34.70 41.60 2
!! R126
 assign (resid 125 and name c )   (resid 126 and name n )
        (resid 126 and name ca)   (resid 126 and name c )  1.0 -68.40 11.70 2
!! R126
 assign (resid 126 and name n )   (resid 126 and name ca)
        (resid 126 and name c )   (resid 127 and name n )  1.0 -40.60 13.10 2
!! V127
 assign (resid 126 and name c )   (resid 127 and name n )
        (resid 127 and name ca)   (resid 127 and name c )  1.0 -67.00 14.00 2
!! V127
 assign (resid 127 and name n )   (resid 127 and name ca)
        (resid 127 and name c )   (resid 128 and name n )  1.0 -43.00 12.00 2
!! Y128
 assign (resid 127 and name c )   (resid 128 and name n )
        (resid 128 and name ca)   (resid 128 and name c )  1.0 -67.00 22.00 2
!! Y128
 assign (resid 128 and name n )   (resid 128 and name ca)
        (resid 128 and name c )   (resid 129 and name n )  1.0 -33.00 14.00 2
!! T133
 assign (resid 132 and name c )   (resid 133 and name n )
        (resid 133 and name ca)   (resid 133 and name c )  1.0 -75.00 30.00 2
!! T133
 assign (resid 133 and name n )   (resid 133 and name ca)
        (resid 133 and name c )   (resid 134 and name n )  1.0 131.00 26.00 2

end

set message=on echo=on end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY  17          1H        GLY  17   5.512 -12.134 -11.155
    2   2H    GLY  17          2H        GLY  17   4.734 -13.605 -11.500
    3   3H    GLY  17          3H        GLY  17   5.018 -12.479 -12.740
    4   1HA   GLY  17          1HA       GLY  17   7.154 -13.854 -11.205
    5   2HA   GLY  17          2HA       GLY  17   6.579 -14.368 -12.791
    6    H    ALA  18           H        ALA  18   9.141 -13.805 -12.880
    7    HA   ALA  18           HA       ALA  18   9.284 -11.370 -14.491
    8   1HB   ALA  18          1HB       ALA  18  11.164 -10.400 -13.128
    9   2HB   ALA  18          2HB       ALA  18  10.792 -11.577 -11.869
   10   3HB   ALA  18          3HB       ALA  18   9.601 -10.354 -12.313
   11    HA   PRO  19           HA       PRO  19  12.301 -14.877 -15.354
   12   1HB   PRO  19          1HB       PRO  19  11.214 -15.806 -17.667
   13   2HB   PRO  19          2HB       PRO  19  10.647 -16.344 -16.074
   14   1HG   PRO  19          1HG       PRO  19   9.470 -14.292 -17.910
   15   2HG   PRO  19          2HG       PRO  19   8.657 -15.568 -16.987
   16   1HD   PRO  19          1HD       PRO  19   8.776 -12.944 -16.150
   17   2HD   PRO  19          2HD       PRO  19   8.658 -14.314 -15.025
   18    H    GLU  20           H        GLU  20  12.339 -11.965 -15.967
   19    HA   GLU  20           HA       GLU  20  14.304 -12.016 -18.082
   20   1HB   GLU  20          1HB       GLU  20  12.202 -12.180 -19.428
   21   2HB   GLU  20          2HB       GLU  20  11.671 -10.653 -18.725
   22   1HG   GLU  20          1HG       GLU  20  13.452  -9.446 -19.750
   23   2HG   GLU  20          2HG       GLU  20  14.319 -10.926 -20.160
   24    H    GLY  21           H        GLY  21  15.134  -9.772 -18.505
   25   1HA   GLY  21          1HA       GLY  21  14.226  -7.642 -16.705
   26   2HA   GLY  21          2HA       GLY  21  15.799  -8.320 -16.283
   27    HA   PRO  22           HA       PRO  22  16.256  -5.074 -19.667
   28   1HB   PRO  22          1HB       PRO  22  17.564  -3.160 -18.243
   29   2HB   PRO  22          2HB       PRO  22  15.794  -3.283 -18.258
   30   1HG   PRO  22          1HG       PRO  22  17.742  -4.253 -16.201
   31   2HG   PRO  22          2HG       PRO  22  16.203  -3.405 -15.975
   32   1HD   PRO  22          1HD       PRO  22  16.471  -6.137 -15.715
   33   2HD   PRO  22          2HD       PRO  22  14.955  -5.358 -16.219
   34    H    GLY  23           H        GLY  23  18.930  -4.308 -17.581
   35   1HA   GLY  23          1HA       GLY  23  20.812  -6.290 -18.183
   36   2HA   GLY  23          2HA       GLY  23  20.859  -5.173 -19.546
   37    HA   PRO  24           HA       PRO  24  23.456  -3.523 -15.981
   38   1HB   PRO  24          1HB       PRO  24  25.920  -3.756 -17.112
   39   2HB   PRO  24          2HB       PRO  24  25.144  -5.100 -16.252
   40   1HG   PRO  24          1HG       PRO  24  25.312  -4.581 -19.196
   41   2HG   PRO  24          2HG       PRO  24  25.545  -6.098 -18.310
   42   1HD   PRO  24          1HD       PRO  24  23.191  -5.446 -19.590
   43   2HD   PRO  24          2HD       PRO  24  23.255  -6.502 -18.163
   44    H    SER  25           H        SER  25  23.763  -1.320 -15.909
   45    HA   SER  25           HA       SER  25  24.794   0.159 -18.208
   46   1HB   SER  25          1HB       SER  25  21.988   0.812 -17.275
   47   2HB   SER  25          2HB       SER  25  22.853   1.499 -18.650
   48    HG   SER  25           HG       SER  25  22.937  -0.805 -19.378
   49    H    GLY  26           H        GLY  26  25.299  -0.294 -15.279
   50   1HA   GLY  26          1HA       GLY  26  26.312   2.184 -14.529
   51   2HA   GLY  26          2HA       GLY  26  24.658   2.186 -13.916
   52    H    GLY  27           H        GLY  27  27.817   1.331 -13.174
   53   1HA   GLY  27          1HA       GLY  27  27.462  -1.070 -11.665
   54   2HA   GLY  27          2HA       GLY  27  28.755   0.101 -11.410
   55    H    ALA  28           H        ALA  28  25.469  -0.781 -10.494
   56    HA   ALA  28           HA       ALA  28  25.155   1.415  -8.611
   57   1HB   ALA  28          1HB       ALA  28  23.669  -1.214  -8.903
   58   2HB   ALA  28          2HB       ALA  28  23.177   0.347  -9.559
   59   3HB   ALA  28          3HB       ALA  28  23.189   0.088  -7.815
   60    H    GLN  29           H        GLN  29  25.998  -2.040  -8.334
   61    HA   GLN  29           HA       GLN  29  26.303  -1.942  -5.455
   62   1HB   GLN  29          1HB       GLN  29  27.281  -3.901  -7.550
   63   2HB   GLN  29          2HB       GLN  29  27.520  -4.134  -5.818
   64   1HG   GLN  29          1HG       GLN  29  25.161  -4.229  -5.414
   65   2HG   GLN  29          2HG       GLN  29  24.793  -3.650  -7.039
   66   1HE2  GLN  29          1HE2      GLN  29  23.490  -5.713  -7.253
   67   2HE2  GLN  29          2HE2      GLN  29  24.298  -7.155  -7.641
   68    H    GLY  30           H        GLY  30  28.164  -1.562  -4.256
   69   1HA   GLY  30          1HA       GLY  30  30.348  -0.831  -3.799
   70   2HA   GLY  30          2HA       GLY  30  30.818  -1.535  -5.347
   71    H    GLY  31           H        GLY  31  28.246   0.730  -5.509
   72   1HA   GLY  31          1HA       GLY  31  29.782   2.524  -7.168
   73   2HA   GLY  31          2HA       GLY  31  28.143   2.817  -6.588
   74    H    SER  32           H        SER  32  30.805   4.433  -6.620
   75    HA   SER  32           HA       SER  32  31.473   4.883  -3.846
   76   1HB   SER  32          1HB       SER  32  32.528   7.001  -4.763
   77   2HB   SER  32          2HB       SER  32  33.088   5.508  -5.517
   78    HG   SER  32           HG       SER  32  32.553   7.095  -7.065
   79    H    ILE  33           H        ILE  33  31.239   7.358  -3.086
   80    HA   ILE  33           HA       ILE  33  28.360   7.791  -2.831
   81    HB   ILE  33           HB       ILE  33  29.151   9.815  -1.479
   82   1HG1  ILE  33          1HG1      ILE  33  31.850   8.475  -1.786
   83   2HG1  ILE  33          2HG1      ILE  33  31.375   9.889  -2.728
   84   1HG2  ILE  33          1HG2      ILE  33  30.180   7.055  -0.750
   85   2HG2  ILE  33          2HG2      ILE  33  28.562   7.676  -0.424
   86   3HG2  ILE  33          3HG2      ILE  33  29.959   8.387   0.385
   87   1HD1  ILE  33          1HD1      ILE  33  32.630  10.571  -0.722
   88   2HD1  ILE  33          2HD1      ILE  33  31.468   9.725   0.301
   89   3HD1  ILE  33          3HD1      ILE  33  30.962  11.136  -0.629
   90    H    HIS  34           H        HIS  34  28.732   8.029  -5.462
   91    HA   HIS  34           HA       HIS  34  27.984  10.765  -6.017
   92   1HB   HIS  34          1HB       HIS  34  30.455  11.031  -5.821
   93   2HB   HIS  34          2HB       HIS  34  30.661   9.838  -7.104
   94    HD1  HIS  34           HD1      HIS  34  28.887  13.174  -6.560
   95    HD2  HIS  34           HD2      HIS  34  30.608  10.949  -9.637
   96    HE1  HIS  34           HE1      HIS  34  28.798  14.628  -8.632
   97    H    SER  35           H        SER  35  28.259   7.503  -6.778
   98    HA   SER  35           HA       SER  35  27.875   7.633  -9.643
   99   1HB   SER  35          1HB       SER  35  28.704   5.578  -8.683
  100   2HB   SER  35          2HB       SER  35  27.311   5.459  -7.608
  101    HG   SER  35           HG       SER  35  27.218   4.157  -9.564
  102    H    GLY  36           H        GLY  36  25.473   5.881  -7.820
  103   1HA   GLY  36          1HA       GLY  36  23.393   7.906  -8.131
  104   2HA   GLY  36          2HA       GLY  36  23.252   6.583  -9.289
  105    H    ARG  37           H        ARG  37  21.864   7.520  -6.583
  106    HA   ARG  37           HA       ARG  37  21.002   4.870  -5.836
  107   1HB   ARG  37          1HB       ARG  37  23.261   4.942  -4.748
  108   2HB   ARG  37          2HB       ARG  37  22.726   6.339  -3.818
  109   1HG   ARG  37          1HG       ARG  37  22.460   4.329  -2.463
  110   2HG   ARG  37          2HG       ARG  37  20.869   4.960  -2.877
  111   1HD   ARG  37          1HD       ARG  37  22.065   2.929  -4.731
  112   2HD   ARG  37          2HD       ARG  37  21.460   2.363  -3.175
  113    HE   ARG  37           HE       ARG  37  19.830   3.383  -5.384
  114   1HH1  ARG  37          1HH1      ARG  37  20.136   2.768  -2.004
  115   2HH1  ARG  37          2HH1      ARG  37  18.428   2.692  -1.729
  116   1HH2  ARG  37          1HH2      ARG  37  17.599   3.291  -5.043
  117   2HH2  ARG  37          2HH2      ARG  37  16.991   2.989  -3.449
  118    H    ILE  38           H        ILE  38  19.223   4.969  -4.341
  119    HA   ILE  38           HA       ILE  38  18.367   7.693  -3.459
  120    HB   ILE  38           HB       ILE  38  16.614   5.738  -4.996
  121   1HG1  ILE  38          1HG1      ILE  38  17.900   8.377  -5.738
  122   2HG1  ILE  38          2HG1      ILE  38  18.185   6.808  -6.489
  123   1HG2  ILE  38          1HG2      ILE  38  14.875   7.394  -4.838
  124   2HG2  ILE  38          2HG2      ILE  38  15.974   8.577  -4.136
  125   3HG2  ILE  38          3HG2      ILE  38  15.481   7.167  -3.202
  126   1HD1  ILE  38          1HD1      ILE  38  15.714   8.539  -6.651
  127   2HD1  ILE  38          2HD1      ILE  38  15.659   6.819  -7.036
  128   3HD1  ILE  38          3HD1      ILE  38  16.692   7.899  -7.972
  129    H    ALA  39           H        ALA  39  18.618   7.205  -1.305
  130    HA   ALA  39           HA       ALA  39  17.142   4.828  -0.215
  131   1HB   ALA  39          1HB       ALA  39  18.605   5.308   1.834
  132   2HB   ALA  39          2HB       ALA  39  19.519   6.401   0.794
  133   3HB   ALA  39          3HB       ALA  39  19.435   4.682   0.409
  134    H    ALA  40           H        ALA  40  15.211   5.378   0.651
  135    HA   ALA  40           HA       ALA  40  15.019   7.740   2.415
  136   1HB   ALA  40          1HB       ALA  40  14.464   8.313  -0.092
  137   2HB   ALA  40          2HB       ALA  40  13.406   8.908   1.185
  138   3HB   ALA  40          3HB       ALA  40  12.944   7.488   0.246
  139    H    VAL  41           H        VAL  41  12.427   7.817   2.991
  140    HA   VAL  41           HA       VAL  41  11.949   5.312   4.395
  141    HB   VAL  41           HB       VAL  41  10.132   7.717   4.058
  142   1HG1  VAL  41          1HG1      VAL  41   9.157   6.850   6.214
  143   2HG1  VAL  41          2HG1      VAL  41  10.123   5.393   5.998
  144   3HG1  VAL  41          3HG1      VAL  41   8.874   5.807   4.823
  145   1HG2  VAL  41          1HG2      VAL  41  12.065   8.571   5.119
  146   2HG2  VAL  41          2HG2      VAL  41  12.338   7.078   6.016
  147   3HG2  VAL  41          3HG2      VAL  41  11.014   8.151   6.468
  148    H    HIS  42           H        HIS  42  10.344   3.768   3.909
  149    HA   HIS  42           HA       HIS  42   8.616   4.201   1.531
  150   1HB   HIS  42          1HB       HIS  42  10.872   2.230   1.749
  151   2HB   HIS  42          2HB       HIS  42   9.447   1.782   0.814
  152    HD1  HIS  42           HD1      HIS  42   9.387   2.573  -1.542
  153    HD2  HIS  42           HD2      HIS  42  12.055   4.801   0.751
  154    HE1  HIS  42           HE1      HIS  42  10.577   4.131  -3.141
  155    H    ASN  43           H        ASN  43   6.739   2.958   1.602
  156    HA   ASN  43           HA       ASN  43   6.156   1.609   4.155
  157   1HB   ASN  43          1HB       ASN  43   4.502   2.157   1.671
  158   2HB   ASN  43          2HB       ASN  43   3.881   1.320   3.091
  159   1HD2  ASN  43          1HD2      ASN  43   2.616   3.695   2.455
  160   2HD2  ASN  43          2HD2      ASN  43   3.071   4.916   3.540
  161    H    VAL  44           H        VAL  44   7.377  -0.313   4.107
  162    HA   VAL  44           HA       VAL  44   7.237  -2.045   1.730
  163    HB   VAL  44           HB       VAL  44   9.331  -1.651   3.161
  164   1HG1  VAL  44          1HG1      VAL  44   8.067  -2.113   5.334
  165   2HG1  VAL  44          2HG1      VAL  44   9.621  -2.924   5.145
  166   3HG1  VAL  44          3HG1      VAL  44   8.123  -3.817   4.883
  167   1HG2  VAL  44          1HG2      VAL  44   8.440  -4.493   2.603
  168   2HG2  VAL  44          2HG2      VAL  44  10.107  -3.967   2.825
  169   3HG2  VAL  44          3HG2      VAL  44   9.183  -3.401   1.434
  170    HA   PRO  45           HA       PRO  45   3.480  -4.090   3.245
  171   1HB   PRO  45          1HB       PRO  45   4.699  -6.413   1.789
  172   2HB   PRO  45          2HB       PRO  45   3.029  -5.817   1.753
  173   1HG   PRO  45          1HG       PRO  45   4.706  -5.295  -0.238
  174   2HG   PRO  45          2HG       PRO  45   3.555  -4.075   0.327
  175   1HD   PRO  45          1HD       PRO  45   6.515  -4.223   0.758
  176   2HD   PRO  45          2HD       PRO  45   5.465  -2.800   0.605
  177    H    LEU  46           H        LEU  46   2.993  -5.280   5.045
  178    HA   LEU  46           HA       LEU  46   5.104  -6.228   6.755
  179   1HB   LEU  46          1HB       LEU  46   2.138  -6.827   6.785
  180   2HB   LEU  46          2HB       LEU  46   3.247  -7.199   8.091
  181    HG   LEU  46           HG       LEU  46   3.136  -4.358   7.114
  182   1HD1  LEU  46          1HD1      LEU  46   1.260  -3.943   8.727
  183   2HD1  LEU  46          2HD1      LEU  46   1.047  -5.690   8.841
  184   3HD1  LEU  46          3HD1      LEU  46   0.798  -4.871   7.300
  185   1HD2  LEU  46          1HD2      LEU  46   3.389  -3.959   9.601
  186   2HD2  LEU  46          2HD2      LEU  46   4.736  -4.818   8.867
  187   3HD2  LEU  46          3HD2      LEU  46   3.532  -5.699   9.808
  188    H    SER  47           H        SER  47   3.061  -7.693   4.335
  189    HA   SER  47           HA       SER  47   3.470 -10.429   5.085
  190   1HB   SER  47          1HB       SER  47   1.665 -10.186   3.654
  191   2HB   SER  47          2HB       SER  47   2.498  -9.017   2.631
  192    HG   SER  47           HG       SER  47   2.949 -11.808   2.789
  193    H    VAL  48           H        VAL  48   5.667  -8.238   3.485
  194    HA   VAL  48           HA       VAL  48   7.283 -10.587   2.542
  195    HB   VAL  48           HB       VAL  48   8.277  -9.176   0.913
  196   1HG1  VAL  48          1HG1      VAL  48   6.307  -8.359  -0.348
  197   2HG1  VAL  48          2HG1      VAL  48   5.319  -8.560   1.098
  198   3HG1  VAL  48          3HG1      VAL  48   6.043  -9.968   0.324
  199   1HG2  VAL  48          1HG2      VAL  48   6.923  -6.898   2.364
  200   2HG2  VAL  48          2HG2      VAL  48   7.634  -6.737   0.763
  201   3HG2  VAL  48          3HG2      VAL  48   8.652  -7.143   2.142
  202    H    LEU  49           H        LEU  49   7.216  -9.325   5.327
  203    HA   LEU  49           HA       LEU  49   9.940  -8.194   5.530
  204   1HB   LEU  49          1HB       LEU  49   7.792  -8.779   7.595
  205   2HB   LEU  49          2HB       LEU  49   9.382  -8.148   8.003
  206    HG   LEU  49           HG       LEU  49   7.381  -6.794   6.167
  207   1HD1  LEU  49          1HD1      LEU  49   8.289  -6.047   8.963
  208   2HD1  LEU  49          2HD1      LEU  49   6.774  -6.872   8.606
  209   3HD1  LEU  49          3HD1      LEU  49   7.051  -5.237   8.006
  210   1HD2  LEU  49          1HD2      LEU  49  10.215  -6.185   6.963
  211   2HD2  LEU  49          2HD2      LEU  49   9.100  -4.837   6.751
  212   3HD2  LEU  49          3HD2      LEU  49   9.410  -5.938   5.414
  213    H    ILE  50           H        ILE  50  11.674  -9.341   6.305
  214    HA   ILE  50           HA       ILE  50  11.243 -12.263   6.833
  215    HB   ILE  50           HB       ILE  50  13.738 -10.791   5.950
  216   1HG1  ILE  50          1HG1      ILE  50  11.942 -12.684   4.412
  217   2HG1  ILE  50          2HG1      ILE  50  11.846 -10.928   4.283
  218   1HG2  ILE  50          1HG2      ILE  50  14.313 -12.771   7.224
  219   2HG2  ILE  50          2HG2      ILE  50  14.541 -13.138   5.515
  220   3HG2  ILE  50          3HG2      ILE  50  13.110 -13.728   6.359
  221   1HD1  ILE  50          1HD1      ILE  50  13.244 -11.589   2.490
  222   2HD1  ILE  50          2HD1      ILE  50  14.131 -12.736   3.491
  223   3HD1  ILE  50          3HD1      ILE  50  14.357 -11.002   3.722
  224    H    ARG  51           H        ARG  51  11.293 -12.735   8.940
  225    HA   ARG  51           HA       ARG  51  13.323 -11.403  10.700
  226   1HB   ARG  51          1HB       ARG  51  10.467 -12.110  11.434
  227   2HB   ARG  51          2HB       ARG  51  11.669 -11.399  12.510
  228   1HG   ARG  51          1HG       ARG  51  11.846  -9.496  10.819
  229   2HG   ARG  51          2HG       ARG  51  10.400 -10.149  10.063
  230   1HD   ARG  51          1HD       ARG  51   9.130  -9.884  12.111
  231   2HD   ARG  51          2HD       ARG  51  10.572  -9.396  12.997
  232    HE   ARG  51           HE       ARG  51   9.052  -7.728  11.089
  233   1HH1  ARG  51          1HH1      ARG  51  11.909  -8.240  12.970
  234   2HH1  ARG  51          2HH1      ARG  51  12.348  -6.566  12.987
  235   1HH2  ARG  51          1HH2      ARG  51   9.623  -5.548  11.105
  236   2HH2  ARG  51          2HH2      ARG  51  11.059  -5.045  11.933
  237    HA   PRO  52           HA       PRO  52  13.624 -15.935  11.410
  238   1HB   PRO  52          1HB       PRO  52  16.208 -16.289  10.901
  239   2HB   PRO  52          2HB       PRO  52  15.091 -15.924   9.569
  240   1HG   PRO  52          1HG       PRO  52  17.036 -14.130  10.964
  241   2HG   PRO  52          2HG       PRO  52  16.601 -14.198   9.251
  242   1HD   PRO  52          1HD       PRO  52  15.516 -12.410  11.205
  243   2HD   PRO  52          2HD       PRO  52  14.905 -12.661   9.555
  244    H    LEU  53           H        LEU  53  13.878 -13.626  13.414
  245    HA   LEU  53           HA       LEU  53  15.554 -15.087  15.406
  246   1HB   LEU  53          1HB       LEU  53  16.653 -13.020  14.160
  247   2HB   LEU  53          2HB       LEU  53  15.680 -12.079  15.281
  248    HG   LEU  53           HG       LEU  53  17.571 -14.286  16.158
  249   1HD1  LEU  53          1HD1      LEU  53  19.002 -12.302  16.878
  250   2HD1  LEU  53          2HD1      LEU  53  17.982 -11.307  15.837
  251   3HD1  LEU  53          3HD1      LEU  53  18.945 -12.616  15.141
  252   1HD2  LEU  53          1HD2      LEU  53  16.043 -12.094  17.588
  253   2HD2  LEU  53          2HD2      LEU  53  17.360 -12.992  18.339
  254   3HD2  LEU  53          3HD2      LEU  53  15.900 -13.835  17.826
  255    HA   PRO  54           HA       PRO  54  11.277 -14.216  17.052
  256   1HB   PRO  54          1HB       PRO  54  12.438 -16.185  19.005
  257   2HB   PRO  54          2HB       PRO  54  10.802 -16.112  18.320
  258   1HG   PRO  54          1HG       PRO  54  12.568 -17.875  17.415
  259   2HG   PRO  54          2HG       PRO  54  11.478 -17.035  16.298
  260   1HD   PRO  54          1HD       PRO  54  14.405 -16.575  16.794
  261   2HD   PRO  54          2HD       PRO  54  13.486 -16.431  15.280
  262    H    SER  55           H        SER  55  10.651 -13.486  19.338
  263    HA   SER  55           HA       SER  55  12.838 -12.538  21.053
  264   1HB   SER  55          1HB       SER  55  11.192 -10.672  19.349
  265   2HB   SER  55          2HB       SER  55  11.891 -10.125  20.870
  266    HG   SER  55           HG       SER  55  13.324  -9.726  19.186
  267    H    VAL  56           H        VAL  56  11.932 -11.383  22.988
  268    HA   VAL  56           HA       VAL  56   9.326 -12.595  23.762
  269    HB   VAL  56           HB       VAL  56  11.453 -11.199  25.420
  270   1HG1  VAL  56          1HG1      VAL  56   8.846 -12.564  26.128
  271   2HG1  VAL  56          2HG1      VAL  56   9.350 -10.921  26.526
  272   3HG1  VAL  56          3HG1      VAL  56  10.128 -12.296  27.310
  273   1HG2  VAL  56          1HG2      VAL  56  11.717 -13.586  26.309
  274   2HG2  VAL  56          2HG2      VAL  56  12.324 -13.295  24.679
  275   3HG2  VAL  56          3HG2      VAL  56  10.774 -14.103  24.911
  276    H    LEU  57           H        LEU  57   7.628 -11.280  23.256
  277    HA   LEU  57           HA       LEU  57   7.975  -8.343  23.296
  278   1HB   LEU  57          1HB       LEU  57   5.583 -10.006  22.517
  279   2HB   LEU  57          2HB       LEU  57   5.750  -8.274  22.283
  280    HG   LEU  57           HG       LEU  57   7.606 -10.350  21.072
  281   1HD1  LEU  57          1HD1      LEU  57   6.426  -9.597  18.929
  282   2HD1  LEU  57          2HD1      LEU  57   5.204  -8.867  19.972
  283   3HD1  LEU  57          3HD1      LEU  57   5.473 -10.611  20.013
  284   1HD2  LEU  57          1HD2      LEU  57   8.052  -8.211  19.584
  285   2HD2  LEU  57          2HD2      LEU  57   8.857  -8.380  21.140
  286   3HD2  LEU  57          3HD2      LEU  57   7.438  -7.343  20.992
  287    H    ASP  58           H        ASP  58   6.812  -6.985  24.560
  288    HA   ASP  58           HA       ASP  58   5.582  -8.142  27.011
  289   1HB   ASP  58          1HB       ASP  58   7.380  -6.618  27.492
  290   2HB   ASP  58          2HB       ASP  58   6.773  -5.434  26.360
  291    HA   PRO  59           HA       PRO  59   1.733  -6.755  25.112
  292   1HB   PRO  59          1HB       PRO  59  -0.001  -7.213  27.155
  293   2HB   PRO  59          2HB       PRO  59   0.765  -8.537  26.254
  294   1HG   PRO  59          1HG       PRO  59   1.538  -7.364  28.902
  295   2HG   PRO  59          2HG       PRO  59   1.391  -9.060  28.433
  296   1HD   PRO  59          1HD       PRO  59   3.804  -7.760  28.510
  297   2HD   PRO  59          2HD       PRO  59   3.470  -9.088  27.379
  298    H    ALA  60           H        ALA  60   3.037  -5.292  28.003
  299    HA   ALA  60           HA       ALA  60   1.037  -3.123  28.026
  300   1HB   ALA  60          1HB       ALA  60   2.198  -2.302  29.944
  301   2HB   ALA  60          2HB       ALA  60   3.656  -3.209  29.540
  302   3HB   ALA  60          3HB       ALA  60   2.216  -4.059  30.100
  303    H    LYS  61           H        LYS  61   4.363  -3.672  26.986
  304    HA   LYS  61           HA       LYS  61   4.885  -0.918  26.323
  305   1HB   LYS  61          1HB       LYS  61   6.426  -3.152  26.682
  306   2HB   LYS  61          2HB       LYS  61   6.435  -3.055  24.935
  307   1HG   LYS  61          1HG       LYS  61   7.183  -0.689  25.094
  308   2HG   LYS  61          2HG       LYS  61   7.195  -0.845  26.850
  309   1HD   LYS  61          1HD       LYS  61   8.917  -2.549  26.747
  310   2HD   LYS  61          2HD       LYS  61   8.817  -2.602  24.987
  311   1HE   LYS  61          1HE       LYS  61   9.559  -0.238  24.888
  312   2HE   LYS  61          2HE       LYS  61   9.695  -0.217  26.646
  313   1HZ   LYS  61          1HZ       LYS  61  11.552  -1.156  24.752
  314   2HZ   LYS  61          2HZ       LYS  61  11.072  -2.454  25.737
  315   3HZ   LYS  61          3HZ       LYS  61  11.720  -1.047  26.436
  316    H    VAL  62           H        VAL  62   3.462  -3.638  24.584
  317    HA   VAL  62           HA       VAL  62   3.687  -2.410  21.955
  318    HB   VAL  62           HB       VAL  62   2.000  -4.671  23.073
  319   1HG1  VAL  62          1HG1      VAL  62   2.023  -3.455  20.303
  320   2HG1  VAL  62          2HG1      VAL  62   0.632  -3.767  21.342
  321   3HG1  VAL  62          3HG1      VAL  62   1.496  -5.113  20.600
  322   1HG2  VAL  62          1HG2      VAL  62   4.360  -4.522  21.174
  323   2HG2  VAL  62          2HG2      VAL  62   3.443  -5.996  21.488
  324   3HG2  VAL  62          3HG2      VAL  62   4.342  -5.223  22.791
  325    H    GLN  63           H        GLN  63   1.373  -2.467  24.572
  326    HA   GLN  63           HA       GLN  63  -0.826  -1.220  23.242
  327   1HB   GLN  63          1HB       GLN  63   0.061  -1.658  26.066
  328   2HB   GLN  63          2HB       GLN  63  -1.144  -0.402  25.812
  329   1HG   GLN  63          1HG       GLN  63  -2.054  -2.706  26.321
  330   2HG   GLN  63          2HG       GLN  63  -2.706  -1.946  24.875
  331   1HE2  GLN  63          1HE2      GLN  63  -3.207  -4.398  24.481
  332   2HE2  GLN  63          2HE2      GLN  63  -2.016  -5.303  23.676
  333    H    SER  64           H        SER  64   1.986   0.098  24.974
  334    HA   SER  64           HA       SER  64   1.191   2.842  24.871
  335   1HB   SER  64          1HB       SER  64   3.008   2.308  26.311
  336   2HB   SER  64          2HB       SER  64   3.887   1.483  25.023
  337    HG   SER  64           HG       SER  64   3.495   4.232  25.445
  338    H    LEU  65           H        LEU  65   3.015   0.811  22.585
  339    HA   LEU  65           HA       LEU  65   3.503   2.985  20.733
  340   1HB   LEU  65          1HB       LEU  65   3.892   0.028  20.814
  341   2HB   LEU  65          2HB       LEU  65   3.774   0.732  19.211
  342    HG   LEU  65           HG       LEU  65   5.601   1.960  21.281
  343   1HD1  LEU  65          1HD1      LEU  65   7.426   0.546  20.130
  344   2HD1  LEU  65          2HD1      LEU  65   6.102  -0.482  19.580
  345   3HD1  LEU  65          3HD1      LEU  65   6.394  -0.269  21.305
  346   1HD2  LEU  65          1HD2      LEU  65   5.510   1.891  18.251
  347   2HD2  LEU  65          2HD2      LEU  65   6.880   2.523  19.158
  348   3HD2  LEU  65          3HD2      LEU  65   5.302   3.291  19.301
  349    H    VAL  66           H        VAL  66   1.142   0.320  20.884
  350    HA   VAL  66           HA       VAL  66  -0.242   0.842  18.482
  351    HB   VAL  66           HB       VAL  66  -1.131  -0.232  21.167
  352   1HG1  VAL  66          1HG1      VAL  66  -3.129  -1.110  19.852
  353   2HG1  VAL  66          2HG1      VAL  66  -2.704   0.066  18.611
  354   3HG1  VAL  66          3HG1      VAL  66  -3.150   0.613  20.225
  355   1HG2  VAL  66          1HG2      VAL  66  -0.948  -2.370  20.118
  356   2HG2  VAL  66          2HG2      VAL  66   0.509  -1.485  19.669
  357   3HG2  VAL  66          3HG2      VAL  66  -0.815  -1.647  18.515
  358    H    ASP  67           H        ASP  67  -0.300   2.479  21.583
  359    HA   ASP  67           HA       ASP  67  -2.685   4.044  21.035
  360   1HB   ASP  67          1HB       ASP  67  -0.483   4.135  23.096
  361   2HB   ASP  67          2HB       ASP  67  -1.674   5.425  22.997
  362    H    THR  68           H        THR  68   0.818   4.552  20.654
  363    HA   THR  68           HA       THR  68   0.668   7.344  20.030
  364    HB   THR  68           HB       THR  68   2.723   5.430  18.908
  365    HG1  THR  68           HG1      THR  68   2.099   5.444  21.348
  366   1HG2  THR  68          1HG2      THR  68   2.926   8.277  19.920
  367   2HG2  THR  68          2HG2      THR  68   2.750   7.832  18.222
  368   3HG2  THR  68          3HG2      THR  68   4.194   7.353  19.114
  369    H    ILE  69           H        ILE  69   0.852   4.478  17.915
  370    HA   ILE  69           HA       ILE  69   0.636   5.877  15.451
  371    HB   ILE  69           HB       ILE  69  -0.375   3.091  16.101
  372   1HG1  ILE  69          1HG1      ILE  69   2.370   4.162  15.392
  373   2HG1  ILE  69          2HG1      ILE  69   1.918   3.216  16.804
  374   1HG2  ILE  69          1HG2      ILE  69   0.671   4.190  13.473
  375   2HG2  ILE  69          2HG2      ILE  69  -1.046   4.154  13.869
  376   3HG2  ILE  69          3HG2      ILE  69  -0.142   2.649  13.743
  377   1HD1  ILE  69          1HD1      ILE  69   2.103   2.277  13.937
  378   2HD1  ILE  69          2HD1      ILE  69   1.286   1.344  15.190
  379   3HD1  ILE  69          3HD1      ILE  69   3.008   1.689  15.332
  380    H    ARG  70           H        ARG  70  -1.856   4.630  17.652
  381    HA   ARG  70           HA       ARG  70  -4.041   5.371  15.875
  382   1HB   ARG  70          1HB       ARG  70  -3.755   4.174  18.588
  383   2HB   ARG  70          2HB       ARG  70  -5.249   5.054  18.314
  384   1HG   ARG  70          1HG       ARG  70  -5.636   3.696  16.261
  385   2HG   ARG  70          2HG       ARG  70  -4.174   2.780  16.621
  386   1HD   ARG  70          1HD       ARG  70  -6.284   1.668  17.424
  387   2HD   ARG  70          2HD       ARG  70  -5.119   1.984  18.709
  388    HE   ARG  70           HE       ARG  70  -6.874   4.216  18.545
  389   1HH1  ARG  70          1HH1      ARG  70  -6.831   0.858  19.321
  390   2HH1  ARG  70          2HH1      ARG  70  -8.126   0.969  20.466
  391   1HH2  ARG  70          1HH2      ARG  70  -8.566   4.382  20.035
  392   2HH2  ARG  70          2HH2      ARG  70  -9.109   2.964  20.870
  393    H    GLU  71           H        GLU  71  -2.317   6.984  18.508
  394    HA   GLU  71           HA       GLU  71  -4.335   9.159  18.573
  395   1HB   GLU  71          1HB       GLU  71  -1.851   8.539  20.177
  396   2HB   GLU  71          2HB       GLU  71  -2.619  10.122  20.272
  397   1HG   GLU  71          1HG       GLU  71  -4.176   7.559  20.679
  398   2HG   GLU  71          2HG       GLU  71  -3.371   8.392  22.008
  399    H    ASP  72           H        ASP  72  -0.982   8.621  17.529
  400    HA   ASP  72           HA       ASP  72  -1.203  10.958  15.748
  401   1HB   ASP  72          1HB       ASP  72  -0.390  11.786  18.013
  402   2HB   ASP  72          2HB       ASP  72   1.071  10.839  17.732
  403    HA   PRO  73           HA       PRO  73   1.361   7.555  13.995
  404   1HB   PRO  73          1HB       PRO  73   0.652   7.851  11.383
  405   2HB   PRO  73          2HB       PRO  73  -0.370   7.006  12.562
  406   1HG   PRO  73          1HG       PRO  73  -0.596   9.795  11.510
  407   2HG   PRO  73          2HG       PRO  73  -1.869   8.604  11.820
  408   1HD   PRO  73          1HD       PRO  73  -1.262  10.669  13.540
  409   2HD   PRO  73          2HD       PRO  73  -1.993   9.142  14.074
  410    H    ASP  74           H        ASP  74   1.586  10.913  13.716
  411    HA   ASP  74           HA       ASP  74   3.771  10.899  11.726
  412   1HB   ASP  74          1HB       ASP  74   2.392  13.083  13.300
  413   2HB   ASP  74          2HB       ASP  74   3.822  13.392  12.314
  414    H    SER  75           H        SER  75   3.410  11.051  15.243
  415    HA   SER  75           HA       SER  75   6.205  11.855  15.649
  416   1HB   SER  75          1HB       SER  75   4.304  10.722  17.713
  417   2HB   SER  75          2HB       SER  75   5.702  11.762  17.981
  418    HG   SER  75           HG       SER  75   3.600  12.822  18.007
  419    H    VAL  76           H        VAL  76   5.411   9.259  14.201
  420    HA   VAL  76           HA       VAL  76   6.936   7.352  15.942
  421    HB   VAL  76           HB       VAL  76   5.046   6.476  13.760
  422   1HG1  VAL  76          1HG1      VAL  76   5.582   5.174  16.438
  423   2HG1  VAL  76          2HG1      VAL  76   6.671   4.931  15.068
  424   3HG1  VAL  76          3HG1      VAL  76   4.984   4.435  14.953
  425   1HG2  VAL  76          1HG2      VAL  76   4.343   7.392  16.555
  426   2HG2  VAL  76          2HG2      VAL  76   3.314   6.299  15.630
  427   3HG2  VAL  76          3HG2      VAL  76   3.639   7.925  15.028
  428    HA   PRO  77           HA       PRO  77   9.499   7.991  12.193
  429   1HB   PRO  77          1HB       PRO  77  11.908   7.198  13.293
  430   2HB   PRO  77          2HB       PRO  77  11.237   8.830  13.433
  431   1HG   PRO  77          1HG       PRO  77  11.327   6.625  15.421
  432   2HG   PRO  77          2HG       PRO  77  11.364   8.375  15.677
  433   1HD   PRO  77          1HD       PRO  77   9.122   6.714  16.035
  434   2HD   PRO  77          2HD       PRO  77   9.070   8.483  15.882
  435    HA   PRO  78           HA       PRO  78   9.736   3.853  10.618
  436   1HB   PRO  78          1HB       PRO  78  11.781   4.020   8.810
  437   2HB   PRO  78          2HB       PRO  78  10.215   4.801   8.554
  438   1HG   PRO  78          1HG       PRO  78  12.784   5.977   9.533
  439   2HG   PRO  78          2HG       PRO  78  11.617   6.639   8.380
  440   1HD   PRO  78          1HD       PRO  78  11.724   7.423  11.003
  441   2HD   PRO  78          2HD       PRO  78  10.225   7.447  10.063
  442    H    ILE  79           H        ILE  79  11.266   1.968  10.272
  443    HA   ILE  79           HA       ILE  79  13.373   1.928  12.407
  444    HB   ILE  79           HB       ILE  79  13.092  -0.603  12.152
  445   1HG1  ILE  79          1HG1      ILE  79  10.397   0.059  10.953
  446   2HG1  ILE  79          2HG1      ILE  79  11.789  -0.171   9.895
  447   1HG2  ILE  79          1HG2      ILE  79  12.173   0.620  14.057
  448   2HG2  ILE  79          2HG2      ILE  79  11.020  -0.609  13.538
  449   3HG2  ILE  79          3HG2      ILE  79  10.761   1.079  13.107
  450   1HD1  ILE  79          1HD1      ILE  79  10.590  -2.285  10.184
  451   2HD1  ILE  79          2HD1      ILE  79  10.752  -2.157  11.935
  452   3HD1  ILE  79          3HD1      ILE  79  12.184  -2.388  10.931
  453    H    ASP  80           H        ASP  80  15.289   0.546  11.838
  454    HA   ASP  80           HA       ASP  80  16.162   1.192   9.098
  455   1HB   ASP  80          1HB       ASP  80  17.603   1.343  11.255
  456   2HB   ASP  80          2HB       ASP  80  17.742  -0.409  11.120
  457    H    VAL  81           H        VAL  81  16.231  -0.270   7.457
  458    HA   VAL  81           HA       VAL  81  15.944  -3.181   8.063
  459    HB   VAL  81           HB       VAL  81  14.172  -1.446   6.340
  460   1HG1  VAL  81          1HG1      VAL  81  14.819  -3.131   4.763
  461   2HG1  VAL  81          2HG1      VAL  81  13.253  -3.625   5.403
  462   3HG1  VAL  81          3HG1      VAL  81  14.724  -4.400   5.983
  463   1HG2  VAL  81          1HG2      VAL  81  12.418  -2.841   7.446
  464   2HG2  VAL  81          2HG2      VAL  81  13.417  -1.963   8.603
  465   3HG2  VAL  81          3HG2      VAL  81  13.688  -3.685   8.334
  466    H    LEU  82           H        LEU  82  17.177  -4.463   6.754
  467    HA   LEU  82           HA       LEU  82  19.067  -3.100   4.948
  468   1HB   LEU  82          1HB       LEU  82  18.890  -6.033   5.687
  469   2HB   LEU  82          2HB       LEU  82  20.258  -5.223   4.929
  470    HG   LEU  82           HG       LEU  82  19.223  -4.258   7.603
  471   1HD1  LEU  82          1HD1      LEU  82  20.783  -5.747   8.736
  472   2HD1  LEU  82          2HD1      LEU  82  21.274  -6.449   7.194
  473   3HD1  LEU  82          3HD1      LEU  82  19.636  -6.702   7.797
  474   1HD2  LEU  82          1HD2      LEU  82  21.606  -3.586   7.847
  475   2HD2  LEU  82          2HD2      LEU  82  20.850  -2.851   6.435
  476   3HD2  LEU  82          3HD2      LEU  82  21.931  -4.231   6.239
  477    H    TRP  83           H        TRP  83  18.984  -3.190   2.768
  478    HA   TRP  83           HA       TRP  83  16.832  -4.826   1.480
  479   1HB   TRP  83          1HB       TRP  83  16.676  -2.386   1.204
  480   2HB   TRP  83          2HB       TRP  83  18.313  -2.338   0.597
  481    HD1  TRP  83           HD1      TRP  83  16.342  -5.253  -0.768
  482    HE1  TRP  83           HE1      TRP  83  15.668  -4.734  -3.209
  483    HE3  TRP  83           HE3      TRP  83  17.592  -0.310  -0.992
  484    HZ2  TRP  83           HZ2      TRP  83  15.659  -2.504  -5.007
  485    HZ3  TRP  83           HZ3      TRP  83  17.244   0.985  -3.077
  486    HH2  TRP  83           HH2      TRP  83  16.287  -0.112  -5.086
  487    H    ILE  84           H        ILE  84  17.793  -6.734   0.804
  488    HA   ILE  84           HA       ILE  84  20.391  -6.527  -0.701
  489    HB   ILE  84           HB       ILE  84  19.507  -8.848   1.042
  490   1HG1  ILE  84          1HG1      ILE  84  21.463  -6.594   1.585
  491   2HG1  ILE  84          2HG1      ILE  84  19.950  -6.886   2.441
  492   1HG2  ILE  84          1HG2      ILE  84  21.728  -9.690   0.681
  493   2HG2  ILE  84          2HG2      ILE  84  22.241  -8.184  -0.078
  494   3HG2  ILE  84          3HG2      ILE  84  21.108  -9.250  -0.909
  495   1HD1  ILE  84          1HD1      ILE  84  22.438  -8.605   2.441
  496   2HD1  ILE  84          2HD1      ILE  84  20.883  -9.181   3.041
  497   3HD1  ILE  84          3HD1      ILE  84  21.675  -7.808   3.816
  498    H    LYS  85           H        LYS  85  20.554  -7.782  -2.549
  499    HA   LYS  85           HA       LYS  85  18.002  -9.014  -3.525
  500   1HB   LYS  85          1HB       LYS  85  20.260  -7.539  -4.856
  501   2HB   LYS  85          2HB       LYS  85  19.351  -8.720  -5.798
  502   1HG   LYS  85          1HG       LYS  85  17.269  -7.570  -5.275
  503   2HG   LYS  85          2HG       LYS  85  18.142  -6.426  -4.258
  504   1HD   LYS  85          1HD       LYS  85  19.205  -5.395  -6.083
  505   2HD   LYS  85          2HD       LYS  85  18.910  -6.770  -7.143
  506   1HE   LYS  85          1HE       LYS  85  17.370  -5.123  -7.860
  507   2HE   LYS  85          2HE       LYS  85  16.401  -6.213  -6.878
  508   1HZ   LYS  85          1HZ       LYS  85  17.522  -4.330  -5.173
  509   2HZ   LYS  85          2HZ       LYS  85  15.888  -4.501  -5.609
  510   3HZ   LYS  85          3HZ       LYS  85  16.907  -3.474  -6.503
  511    H    GLY  86           H        GLY  86  18.178 -10.969  -4.769
  512   1HA   GLY  86          1HA       GLY  86  20.328 -12.745  -3.750
  513   2HA   GLY  86          2HA       GLY  86  18.829 -13.268  -4.513
  514    H    ALA  87           H        ALA  87  20.483 -14.635  -5.698
  515    HA   ALA  87           HA       ALA  87  22.251 -13.410  -7.616
  516   1HB   ALA  87          1HB       ALA  87  22.170 -15.788  -8.633
  517   2HB   ALA  87          2HB       ALA  87  21.148 -16.198  -7.255
  518   3HB   ALA  87          3HB       ALA  87  22.794 -15.625  -6.992
  519    H    GLN  88           H        GLN  88  18.869 -13.589  -7.597
  520    HA   GLN  88           HA       GLN  88  18.796 -13.232 -10.579
  521   1HB   GLN  88          1HB       GLN  88  16.629 -14.584  -8.957
  522   2HB   GLN  88          2HB       GLN  88  16.771 -14.501 -10.714
  523   1HG   GLN  88          1HG       GLN  88  19.017 -15.710 -10.434
  524   2HG   GLN  88          2HG       GLN  88  18.512 -16.035  -8.775
  525   1HE2  GLN  88          1HE2      GLN  88  18.724 -18.375  -9.843
  526   2HE2  GLN  88          2HE2      GLN  88  17.292 -18.994 -10.504
  527    H    GLY  89           H        GLY  89  18.964 -11.115  -8.645
  528   1HA   GLY  89          1HA       GLY  89  17.981  -9.015  -8.356
  529   2HA   GLY  89          2HA       GLY  89  16.800  -9.487  -9.565
  530    H    GLY  90           H        GLY  90  16.330 -11.901  -7.535
  531   1HA   GLY  90          1HA       GLY  90  13.900 -11.038  -6.485
  532   2HA   GLY  90          2HA       GLY  90  14.853 -12.329  -5.767
  533    H    ASP  91           H        ASP  91  13.688  -9.207  -5.328
  534    HA   ASP  91           HA       ASP  91  15.745  -8.255  -3.511
  535   1HB   ASP  91          1HB       ASP  91  12.969  -7.327  -4.251
  536   2HB   ASP  91          2HB       ASP  91  13.810  -6.612  -2.884
  537    H    TYR  92           H        TYR  92  15.828  -8.515  -1.338
  538    HA   TYR  92           HA       TYR  92  13.548  -9.873   0.055
  539   1HB   TYR  92          1HB       TYR  92  16.505 -10.521   0.314
  540   2HB   TYR  92          2HB       TYR  92  15.221 -11.226   1.296
  541    HD1  TYR  92           HD1      TYR  92  16.882 -11.240  -1.961
  542    HD2  TYR  92           HD2      TYR  92  13.475 -12.677   0.225
  543    HE1  TYR  92           HE1      TYR  92  16.462 -12.924  -3.720
  544    HE2  TYR  92           HE2      TYR  92  13.057 -14.363  -1.539
  545    HH   TYR  92           HH       TYR  92  15.024 -14.456  -4.495
  546    H    PHE  93           H        PHE  93  13.002  -8.807   1.919
  547    HA   PHE  93           HA       PHE  93  14.790  -6.603   2.828
  548   1HB   PHE  93          1HB       PHE  93  11.842  -7.080   3.375
  549   2HB   PHE  93          2HB       PHE  93  12.768  -5.653   3.813
  550    HD1  PHE  93           HD1      PHE  93  13.837  -4.249   1.951
  551    HD2  PHE  93           HD2      PHE  93  10.913  -7.309   1.194
  552    HE1  PHE  93           HE1      PHE  93  13.431  -3.314  -0.304
  553    HE2  PHE  93           HE2      PHE  93  10.512  -6.367  -1.060
  554    HZ   PHE  93           HZ       PHE  93  11.770  -4.370  -1.810
  555    H    TYR  94           H        TYR  94  15.932  -6.955   4.599
  556    HA   TYR  94           HA       TYR  94  15.050  -9.011   6.577
  557   1HB   TYR  94          1HB       TYR  94  17.690  -8.044   5.558
  558   2HB   TYR  94          2HB       TYR  94  17.630  -8.472   7.266
  559    HD1  TYR  94           HD1      TYR  94  17.403 -10.731   7.985
  560    HD2  TYR  94           HD2      TYR  94  17.087  -9.730   3.825
  561    HE1  TYR  94           HE1      TYR  94  17.505 -13.138   7.394
  562    HE2  TYR  94           HE2      TYR  94  17.193 -12.129   3.236
  563    HH   TYR  94           HH       TYR  94  17.582 -14.628   5.753
  564    H    SER  95           H        SER  95  14.679  -8.411   8.663
  565    HA   SER  95           HA       SER  95  15.254  -5.574   9.449
  566   1HB   SER  95          1HB       SER  95  12.750  -6.459   8.924
  567   2HB   SER  95          2HB       SER  95  12.865  -6.915  10.618
  568    HG   SER  95           HG       SER  95  12.542  -4.917  11.051
  569    H    PHE  96           H        PHE  96  16.272  -5.385  11.374
  570    HA   PHE  96           HA       PHE  96  16.263  -7.683  13.291
  571   1HB   PHE  96          1HB       PHE  96  18.642  -6.131  12.243
  572   2HB   PHE  96          2HB       PHE  96  18.676  -7.045  13.751
  573    HD1  PHE  96           HD1      PHE  96  19.025  -7.231  10.202
  574    HD2  PHE  96           HD2      PHE  96  17.948  -9.524  13.649
  575    HE1  PHE  96           HE1      PHE  96  19.478  -9.313   8.948
  576    HE2  PHE  96           HE2      PHE  96  18.385 -11.620  12.397
  577    HZ   PHE  96           HZ       PHE  96  19.152 -11.514  10.042
  578    H    GLY  97           H        GLY  97  14.797  -6.421  14.531
  579   1HA   GLY  97          1HA       GLY  97  15.288  -5.046  16.694
  580   2HA   GLY  97          2HA       GLY  97  15.730  -3.779  15.550
  581    H    GLY  98           H        GLY  98  13.877  -2.594  16.620
  582   1HA   GLY  98          1HA       GLY  98  11.609  -1.916  16.690
  583   2HA   GLY  98          2HA       GLY  98  11.662  -2.335  14.982
  584    H    CYS  99           H        CYS  99  12.202  -4.877  17.321
  585    HA   CYS  99           HA       CYS  99  10.239  -6.583  16.269
  586   1HB   CYS  99          1HB       CYS  99  10.946  -6.667  19.199
  587   2HB   CYS  99          2HB       CYS  99  10.693  -8.006  18.077
  588    HG   CYS  99           HG       CYS  99  13.177  -7.965  17.929
  589    H    HIS 100           H        HIS 100   9.962  -4.652  19.283
  590    HA   HIS 100           HA       HIS 100   7.197  -5.236  19.687
  591   1HB   HIS 100          1HB       HIS 100   9.004  -3.003  20.616
  592   2HB   HIS 100          2HB       HIS 100   7.290  -3.009  21.026
  593    HD1  HIS 100           HD1      HIS 100  10.347  -5.261  21.352
  594    HD2  HIS 100           HD2      HIS 100   6.646  -4.644  23.169
  595    HE1  HIS 100           HE1      HIS 100  10.284  -6.780  23.380
  596    H    ARG 101           H        ARG 101   8.803  -2.752  17.747
  597    HA   ARG 101           HA       ARG 101   6.462  -1.183  17.244
  598   1HB   ARG 101          1HB       ARG 101   8.928  -0.614  16.731
  599   2HB   ARG 101          2HB       ARG 101   8.715  -1.556  15.262
  600   1HG   ARG 101          1HG       ARG 101   7.859   0.310  14.282
  601   2HG   ARG 101          2HG       ARG 101   6.453   0.142  15.319
  602   1HD   ARG 101          1HD       ARG 101   7.517   2.407  15.463
  603   2HD   ARG 101          2HD       ARG 101   7.454   1.570  17.005
  604    HE   ARG 101           HE       ARG 101   9.823   1.275  16.947
  605   1HH1  ARG 101          1HH1      ARG 101   8.545   2.724  14.078
  606   2HH1  ARG 101          2HH1      ARG 101  10.083   3.308  13.542
  607   1HH2  ARG 101          1HH2      ARG 101  11.823   2.031  16.249
  608   2HH2  ARG 101          2HH2      ARG 101  11.934   2.916  14.765
  609    H    TYR 102           H        TYR 102   7.686  -4.153  15.830
  610    HA   TYR 102           HA       TYR 102   5.946  -4.166  13.530
  611   1HB   TYR 102          1HB       TYR 102   7.861  -5.605  13.473
  612   2HB   TYR 102          2HB       TYR 102   7.444  -6.343  15.014
  613    HD1  TYR 102           HD1      TYR 102   6.794  -6.335  11.405
  614    HD2  TYR 102           HD2      TYR 102   5.540  -7.872  15.210
  615    HE1  TYR 102           HE1      TYR 102   5.478  -8.101  10.261
  616    HE2  TYR 102           HE2      TYR 102   4.213  -9.625  14.072
  617    HH   TYR 102           HH       TYR 102   3.161  -9.594  11.250
  618    H    ALA 103           H        ALA 103   5.693  -5.538  16.808
  619    HA   ALA 103           HA       ALA 103   3.234  -6.918  16.478
  620   1HB   ALA 103          1HB       ALA 103   4.820  -6.944  18.496
  621   2HB   ALA 103          2HB       ALA 103   3.093  -6.955  18.850
  622   3HB   ALA 103          3HB       ALA 103   4.015  -5.460  19.007
  623    H    ALA 104           H        ALA 104   3.824  -3.523  17.437
  624    HA   ALA 104           HA       ALA 104   1.091  -2.854  17.868
  625   1HB   ALA 104          1HB       ALA 104   3.493  -1.212  17.056
  626   2HB   ALA 104          2HB       ALA 104   2.703  -1.282  18.631
  627   3HB   ALA 104          3HB       ALA 104   1.904  -0.481  17.278
  628    H    TYR 105           H        TYR 105   3.088  -2.620  14.921
  629    HA   TYR 105           HA       TYR 105   0.960  -1.582  13.281
  630   1HB   TYR 105          1HB       TYR 105   3.725  -2.596  12.919
  631   2HB   TYR 105          2HB       TYR 105   2.684  -2.876  11.533
  632    HD1  TYR 105           HD1      TYR 105   4.431  -0.365  13.530
  633    HD2  TYR 105           HD2      TYR 105   1.603  -0.987  10.362
  634    HE1  TYR 105           HE1      TYR 105   4.712   1.996  12.806
  635    HE2  TYR 105           HE2      TYR 105   1.866   1.371   9.654
  636    HH   TYR 105           HH       TYR 105   2.946   3.701  11.383
  637    H    GLN 106           H        GLN 106   2.209  -4.865  13.871
  638    HA   GLN 106           HA       GLN 106   0.493  -6.184  12.011
  639   1HB   GLN 106          1HB       GLN 106   2.575  -7.131  13.071
  640   2HB   GLN 106          2HB       GLN 106   1.671  -7.311  14.569
  641   1HG   GLN 106          1HG       GLN 106   0.175  -8.468  12.331
  642   2HG   GLN 106          2HG       GLN 106   1.788  -9.162  12.404
  643   1HE2  GLN 106          1HE2      GLN 106  -0.658  -8.205  14.922
  644   2HE2  GLN 106          2HE2      GLN 106  -0.555  -9.674  15.762
  645    H    GLN 107           H        GLN 107   0.103  -5.280  15.409
  646    HA   GLN 107           HA       GLN 107  -2.333  -6.776  15.814
  647   1HB   GLN 107          1HB       GLN 107  -0.971  -6.019  17.709
  648   2HB   GLN 107          2HB       GLN 107  -1.253  -4.338  17.259
  649   1HG   GLN 107          1HG       GLN 107  -3.566  -4.472  17.788
  650   2HG   GLN 107          2HG       GLN 107  -3.535  -6.234  17.836
  651   1HE2  GLN 107          1HE2      GLN 107  -4.066  -6.607  20.035
  652   2HE2  GLN 107          2HE2      GLN 107  -3.159  -6.010  21.338
  653    H    LEU 108           H        LEU 108  -1.616  -3.480  14.732
  654    HA   LEU 108           HA       LEU 108  -4.393  -2.641  14.728
  655   1HB   LEU 108          1HB       LEU 108  -1.911  -1.517  13.407
  656   2HB   LEU 108          2HB       LEU 108  -3.487  -0.732  13.333
  657    HG   LEU 108           HG       LEU 108  -2.095  -1.485  15.925
  658   1HD1  LEU 108          1HD1      LEU 108  -0.929   0.294  14.464
  659   2HD1  LEU 108          2HD1      LEU 108  -1.301   0.736  16.130
  660   3HD1  LEU 108          3HD1      LEU 108  -2.326   1.312  14.813
  661   1HD2  LEU 108          1HD2      LEU 108  -4.688  -0.158  15.220
  662   2HD2  LEU 108          2HD2      LEU 108  -3.816   0.465  16.615
  663   3HD2  LEU 108          3HD2      LEU 108  -4.295  -1.226  16.565
  664    H    GLN 109           H        GLN 109  -3.169  -5.048  13.049
  665    HA   GLN 109           HA       GLN 109  -3.549  -5.991  10.922
  666   1HB   GLN 109          1HB       GLN 109  -6.159  -4.474  11.092
  667   2HB   GLN 109          2HB       GLN 109  -5.856  -6.027  10.313
  668   1HG   GLN 109          1HG       GLN 109  -5.217  -6.913  12.618
  669   2HG   GLN 109          2HG       GLN 109  -5.876  -5.415  13.277
  670   1HE2  GLN 109          1HE2      GLN 109  -7.693  -5.957  10.566
  671   2HE2  GLN 109          2HE2      GLN 109  -8.963  -6.857  11.242
  672    H    ARG 110           H        ARG 110  -2.038  -3.621  10.708
  673    HA   ARG 110           HA       ARG 110  -3.235  -1.928   8.635
  674   1HB   ARG 110          1HB       ARG 110  -0.461  -2.075   9.835
  675   2HB   ARG 110          2HB       ARG 110  -0.923  -0.905   8.604
  676   1HG   ARG 110          1HG       ARG 110  -2.557  -1.167  11.137
  677   2HG   ARG 110          2HG       ARG 110  -1.071  -0.227  11.146
  678   1HD   ARG 110          1HD       ARG 110  -1.968   1.084   9.185
  679   2HD   ARG 110          2HD       ARG 110  -3.502   0.239   9.396
  680    HE   ARG 110           HE       ARG 110  -2.462   2.361  11.112
  681   1HH1  ARG 110          1HH1      ARG 110  -4.495  -0.406  10.802
  682   2HH1  ARG 110          2HH1      ARG 110  -5.553   0.061  12.091
  683   1HH2  ARG 110          1HH2      ARG 110  -3.831   2.987  12.798
  684   2HH2  ARG 110          2HH2      ARG 110  -5.177   1.982  13.222
  685    H    GLU 111           H        GLU 111  -2.201  -1.697   6.512
  686    HA   GLU 111           HA       GLU 111  -1.671  -4.330   5.351
  687   1HB   GLU 111          1HB       GLU 111  -3.133  -3.002   4.077
  688   2HB   GLU 111          2HB       GLU 111  -2.147  -1.556   4.275
  689   1HG   GLU 111          1HG       GLU 111  -0.579  -2.247   2.692
  690   2HG   GLU 111          2HG       GLU 111  -1.024  -3.946   2.827
  691    H    THR 112           H        THR 112   0.166  -1.254   5.731
  692    HA   THR 112           HA       THR 112   2.671  -2.844   5.187
  693    HB   THR 112           HB       THR 112   3.555  -0.738   4.081
  694    HG1  THR 112           HG1      THR 112   0.792  -0.101   4.084
  695   1HG2  THR 112          1HG2      THR 112   1.669  -2.705   3.010
  696   2HG2  THR 112          2HG2      THR 112   3.117  -2.028   2.266
  697   3HG2  THR 112          3HG2      THR 112   1.583  -1.176   2.137
  698    H    ILE 113           H        ILE 113   4.645  -1.366   5.818
  699    HA   ILE 113           HA       ILE 113   4.029   0.225   8.268
  700    HB   ILE 113           HB       ILE 113   4.636  -2.125   8.914
  701   1HG1  ILE 113          1HG1      ILE 113   6.669  -0.018   9.696
  702   2HG1  ILE 113          2HG1      ILE 113   5.033  -0.098  10.347
  703   1HG2  ILE 113          1HG2      ILE 113   6.328  -2.303   6.966
  704   2HG2  ILE 113          2HG2      ILE 113   6.831  -2.964   8.522
  705   3HG2  ILE 113          3HG2      ILE 113   7.425  -1.389   7.999
  706   1HD1  ILE 113          1HD1      ILE 113   5.630  -2.543  10.985
  707   2HD1  ILE 113          2HD1      ILE 113   6.354  -1.253  11.944
  708   3HD1  ILE 113          3HD1      ILE 113   7.302  -2.062  10.698
  709    HA   PRO 114           HA       PRO 114   7.158   2.808   6.283
  710   1HB   PRO 114          1HB       PRO 114   7.694   4.107   8.894
  711   2HB   PRO 114          2HB       PRO 114   7.036   4.814   7.410
  712   1HG   PRO 114          1HG       PRO 114   5.540   4.404   9.627
  713   2HG   PRO 114          2HG       PRO 114   4.868   4.323   7.991
  714   1HD   PRO 114          1HD       PRO 114   5.630   2.073   9.841
  715   2HD   PRO 114          2HD       PRO 114   4.244   2.224   8.753
  716    H    ALA 115           H        ALA 115   9.294   2.314   5.925
  717    HA   ALA 115           HA       ALA 115  11.048   1.577   8.185
  718   1HB   ALA 115          1HB       ALA 115   9.966  -0.560   7.497
  719   2HB   ALA 115          2HB       ALA 115  11.706  -0.564   7.206
  720   3HB   ALA 115          3HB       ALA 115  10.588  -0.322   5.864
  721    H    LYS 116           H        LYS 116  13.023   2.413   7.827
  722    HA   LYS 116           HA       LYS 116  13.616   3.775   5.338
  723   1HB   LYS 116          1HB       LYS 116  14.480   4.199   7.842
  724   2HB   LYS 116          2HB       LYS 116  15.793   3.152   7.326
  725   1HG   LYS 116          1HG       LYS 116  16.213   4.635   5.398
  726   2HG   LYS 116          2HG       LYS 116  14.879   5.669   5.910
  727   1HD   LYS 116          1HD       LYS 116  16.018   6.278   7.937
  728   2HD   LYS 116          2HD       LYS 116  17.254   5.046   7.681
  729   1HE   LYS 116          1HE       LYS 116  17.950   7.415   7.072
  730   2HE   LYS 116          2HE       LYS 116  18.151   6.223   5.788
  731   1HZ   LYS 116          1HZ       LYS 116  16.031   6.918   4.861
  732   2HZ   LYS 116          2HZ       LYS 116  17.103   8.232   4.963
  733   3HZ   LYS 116          3HZ       LYS 116  15.845   8.069   6.092
  734    H    LEU 117           H        LEU 117  14.484   2.846   3.541
  735    HA   LEU 117           HA       LEU 117  15.534   0.077   3.728
  736   1HB   LEU 117          1HB       LEU 117  15.255   1.854   1.286
  737   2HB   LEU 117          2HB       LEU 117  15.602   0.130   1.285
  738    HG   LEU 117           HG       LEU 117  13.039   1.463   2.221
  739   1HD1  LEU 117          1HD1      LEU 117  12.128  -0.093   0.380
  740   2HD1  LEU 117          2HD1      LEU 117  13.804  -0.276  -0.135
  741   3HD1  LEU 117          3HD1      LEU 117  13.048   1.314  -0.161
  742   1HD2  LEU 117          1HD2      LEU 117  12.325  -1.046   2.364
  743   2HD2  LEU 117          2HD2      LEU 117  13.250  -0.361   3.696
  744   3HD2  LEU 117          3HD2      LEU 117  14.055  -1.366   2.488
  745    H    VAL 118           H        VAL 118  17.652  -0.462   3.555
  746    HA   VAL 118           HA       VAL 118  19.640   1.674   2.885
  747    HB   VAL 118           HB       VAL 118  19.792  -0.300   5.186
  748   1HG1  VAL 118          1HG1      VAL 118  21.918   0.988   5.687
  749   2HG1  VAL 118          2HG1      VAL 118  21.775   1.709   4.083
  750   3HG1  VAL 118          3HG1      VAL 118  21.996  -0.033   4.251
  751   1HG2  VAL 118          1HG2      VAL 118  19.794   2.726   5.263
  752   2HG2  VAL 118          2HG2      VAL 118  19.629   1.612   6.620
  753   3HG2  VAL 118          3HG2      VAL 118  18.325   1.767   5.442
  754    H    GLN 119           H        GLN 119  20.435   0.898   0.979
  755    HA   GLN 119           HA       GLN 119  20.483  -1.759   0.086
  756   1HB   GLN 119          1HB       GLN 119  21.190   0.467  -1.135
  757   2HB   GLN 119          2HB       GLN 119  22.800   0.078  -0.545
  758   1HG   GLN 119          1HG       GLN 119  21.099  -1.422  -2.522
  759   2HG   GLN 119          2HG       GLN 119  22.775  -0.935  -2.660
  760   1HE2  GLN 119          1HE2      GLN 119  24.258  -2.077  -0.978
  761   2HE2  GLN 119          2HE2      GLN 119  23.944  -3.715  -0.687
  762    H    SER 120           H        SER 120  21.697  -3.535   0.616
  763    HA   SER 120           HA       SER 120  24.208  -3.163   2.194
  764   1HB   SER 120          1HB       SER 120  21.761  -4.738   2.965
  765   2HB   SER 120          2HB       SER 120  23.343  -5.216   3.559
  766    HG   SER 120           HG       SER 120  23.379  -3.545   4.826
  767    H    THR 121           H        THR 121  25.129  -5.581   2.499
  768    HA   THR 121           HA       THR 121  24.897  -7.002  -0.134
  769    HB   THR 121           HB       THR 121  27.390  -7.505   0.243
  770    HG1  THR 121           HG1      THR 121  27.977  -6.813   2.143
  771   1HG2  THR 121          1HG2      THR 121  26.372  -4.724  -0.372
  772   2HG2  THR 121          2HG2      THR 121  26.748  -6.011  -1.519
  773   3HG2  THR 121          3HG2      THR 121  28.047  -5.214  -0.631
  774    H    LEU 122           H        LEU 122  25.518  -9.299   0.000
  775    HA   LEU 122           HA       LEU 122  24.257 -10.653   2.125
  776   1HB   LEU 122          1HB       LEU 122  24.900 -11.647  -0.129
  777   2HB   LEU 122          2HB       LEU 122  26.540 -11.796   0.493
  778    HG   LEU 122           HG       LEU 122  25.609 -13.159   2.406
  779   1HD1  LEU 122          1HD1      LEU 122  23.076 -12.666   0.859
  780   2HD1  LEU 122          2HD1      LEU 122  23.329 -12.728   2.601
  781   3HD1  LEU 122          3HD1      LEU 122  23.277 -14.217   1.670
  782   1HD2  LEU 122          1HD2      LEU 122  26.640 -14.368   0.627
  783   2HD2  LEU 122          2HD2      LEU 122  25.282 -14.070  -0.459
  784   3HD2  LEU 122          3HD2      LEU 122  25.095 -15.175   0.904
  785    H    SER 123           H        SER 123  27.531  -9.404   1.926
  786    HA   SER 123           HA       SER 123  28.722 -10.924   4.014
  787   1HB   SER 123          1HB       SER 123  30.227  -9.589   2.802
  788   2HB   SER 123          2HB       SER 123  29.194  -8.163   2.906
  789    HG   SER 123           HG       SER 123  30.063  -7.682   4.745
  790    H    ASP 124           H        ASP 124  26.928  -7.823   4.141
  791    HA   ASP 124           HA       ASP 124  27.133  -7.407   6.931
  792   1HB   ASP 124          1HB       ASP 124  26.015  -5.966   4.989
  793   2HB   ASP 124          2HB       ASP 124  24.543  -6.765   5.525
  794    H    LEU 125           H        LEU 125  24.925  -9.466   5.045
  795    HA   LEU 125           HA       LEU 125  23.286 -10.157   7.302
  796   1HB   LEU 125          1HB       LEU 125  23.028 -10.567   4.618
  797   2HB   LEU 125          2HB       LEU 125  23.547 -12.174   5.110
  798    HG   LEU 125           HG       LEU 125  21.732 -12.162   6.849
  799   1HD1  LEU 125          1HD1      LEU 125  20.998 -10.028   7.308
  800   2HD1  LEU 125          2HD1      LEU 125  19.843 -10.393   6.035
  801   3HD1  LEU 125          3HD1      LEU 125  21.285  -9.450   5.670
  802   1HD2  LEU 125          1HD2      LEU 125  19.969 -12.686   5.264
  803   2HD2  LEU 125          2HD2      LEU 125  21.511 -13.230   4.607
  804   3HD2  LEU 125          3HD2      LEU 125  20.772 -11.746   4.007
  805    H    ARG 126           H        ARG 126  26.330 -11.456   6.056
  806    HA   ARG 126           HA       ARG 126  26.310 -13.876   7.616
  807   1HB   ARG 126          1HB       ARG 126  27.961 -13.848   5.944
  808   2HB   ARG 126          2HB       ARG 126  28.441 -12.195   6.303
  809   1HG   ARG 126          1HG       ARG 126  29.651 -12.850   8.243
  810   2HG   ARG 126          2HG       ARG 126  28.898 -14.440   8.272
  811   1HD   ARG 126          1HD       ARG 126  30.121 -15.178   6.376
  812   2HD   ARG 126          2HD       ARG 126  30.598 -13.535   5.946
  813    HE   ARG 126           HE       ARG 126  31.710 -13.893   8.452
  814   1HH1  ARG 126          1HH1      ARG 126  31.708 -15.612   5.463
  815   2HH1  ARG 126          2HH1      ARG 126  33.293 -16.272   5.689
  816   1HH2  ARG 126          1HH2      ARG 126  33.780 -14.745   8.764
  817   2HH2  ARG 126          2HH2      ARG 126  34.466 -15.782   7.558
  818    H    VAL 127           H        VAL 127  27.229 -10.533   8.354
  819    HA   VAL 127           HA       VAL 127  28.519 -11.001  10.840
  820    HB   VAL 127           HB       VAL 127  26.774  -8.654  10.026
  821   1HG1  VAL 127          1HG1      VAL 127  27.119  -8.677  12.429
  822   2HG1  VAL 127          2HG1      VAL 127  28.186  -7.458  11.733
  823   3HG1  VAL 127          3HG1      VAL 127  28.835  -9.024  12.219
  824   1HG2  VAL 127          1HG2      VAL 127  29.738  -9.224   9.755
  825   2HG2  VAL 127          2HG2      VAL 127  29.032  -7.622   9.544
  826   3HG2  VAL 127          3HG2      VAL 127  28.588  -8.933   8.453
  827    H    TYR 128           H        TYR 128  25.084 -10.774   9.952
  828    HA   TYR 128           HA       TYR 128  24.265 -11.071  12.792
  829   1HB   TYR 128          1HB       TYR 128  22.619 -10.957  10.249
  830   2HB   TYR 128          2HB       TYR 128  21.960 -11.010  11.881
  831    HD1  TYR 128           HD1      TYR 128  22.509  -9.131  13.500
  832    HD2  TYR 128           HD2      TYR 128  23.360  -8.919   9.297
  833    HE1  TYR 128           HE1      TYR 128  22.695  -6.665  13.661
  834    HE2  TYR 128           HE2      TYR 128  23.545  -6.455   9.456
  835    HH   TYR 128           HH       TYR 128  22.482  -4.703  12.156
  836    H    LEU 129           H        LEU 129  23.933 -12.930   9.762
  837    HA   LEU 129           HA       LEU 129  23.291 -15.371  11.377
  838   1HB   LEU 129          1HB       LEU 129  22.592 -14.674   8.517
  839   2HB   LEU 129          2HB       LEU 129  22.131 -16.146   9.360
  840    HG   LEU 129           HG       LEU 129  21.264 -13.321  10.033
  841   1HD1  LEU 129          1HD1      LEU 129  18.979 -14.448   9.579
  842   2HD1  LEU 129          2HD1      LEU 129  19.910 -15.738   8.814
  843   3HD1  LEU 129          3HD1      LEU 129  19.998 -14.093   8.185
  844   1HD2  LEU 129          1HD2      LEU 129  20.968 -15.925  11.524
  845   2HD2  LEU 129          2HD2      LEU 129  19.715 -14.689  11.657
  846   3HD2  LEU 129          3HD2      LEU 129  21.366 -14.324  12.151
  847    H    GLY 130           H        GLY 130  26.002 -14.703  10.969
  848   1HA   GLY 130          1HA       GLY 130  27.101 -15.859   8.595
  849   2HA   GLY 130          2HA       GLY 130  27.987 -15.597  10.096
  850    H    ALA 131           H        ALA 131  25.080 -17.636   9.701
  851    HA   ALA 131           HA       ALA 131  26.685 -20.094   9.786
  852   1HB   ALA 131          1HB       ALA 131  25.043 -19.128  12.130
  853   2HB   ALA 131          2HB       ALA 131  26.698 -19.736  12.127
  854   3HB   ALA 131          3HB       ALA 131  25.351 -20.846  11.873
  855    H    SER 132           H        SER 132  23.367 -18.843  10.356
  856    HA   SER 132           HA       SER 132  22.293 -21.128   8.762
  857   1HB   SER 132          1HB       SER 132  21.343 -20.471  11.050
  858   2HB   SER 132          2HB       SER 132  20.705 -19.031  10.257
  859    HG   SER 132           HG       SER 132  19.286 -20.925  10.342
  860    H    THR 133           H        THR 133  23.723 -18.974   7.436
  861    HA   THR 133           HA       THR 133  21.764 -17.167   6.283
  862    HB   THR 133           HB       THR 133  24.278 -17.533   4.757
  863    HG1  THR 133           HG1      THR 133  24.564 -16.617   7.391
  864   1HG2  THR 133          1HG2      THR 133  23.482 -15.135   6.397
  865   2HG2  THR 133          2HG2      THR 133  22.651 -15.506   4.887
  866   3HG2  THR 133          3HG2      THR 133  24.387 -15.191   4.884
  867    HA   PRO 134           HA       PRO 134  20.621 -20.364   3.216
  868   1HB   PRO 134          1HB       PRO 134  18.537 -19.098   2.053
  869   2HB   PRO 134          2HB       PRO 134  18.423 -19.744   3.698
  870   1HG   PRO 134          1HG       PRO 134  18.955 -16.940   2.800
  871   2HG   PRO 134          2HG       PRO 134  17.839 -17.517   4.044
  872   1HD   PRO 134          1HD       PRO 134  20.339 -16.526   4.606
  873   2HD   PRO 134          2HD       PRO 134  19.534 -17.727   5.632
  874    H    ASP 135           H        ASP 135  19.941 -20.053   0.694
  875    HA   ASP 135           HA       ASP 135  22.090 -18.357  -0.537
  876   1HB   ASP 135          1HB       ASP 135  22.088 -20.923  -0.816
  877   2HB   ASP 135          2HB       ASP 135  20.673 -20.683  -1.838
  878    H    LEU 136           H        LEU 136  20.898 -16.478  -0.812
  879    HA   LEU 136           HA       LEU 136  18.206 -16.310  -1.726
  880   1HB   LEU 136          1HB       LEU 136  20.474 -14.326  -2.025
  881   2HB   LEU 136          2HB       LEU 136  18.772 -13.955  -2.286
  882    HG   LEU 136           HG       LEU 136  19.915 -15.012   0.319
  883   1HD1  LEU 136          1HD1      LEU 136  19.832 -12.780   1.159
  884   2HD1  LEU 136          2HD1      LEU 136  18.942 -12.205  -0.249
  885   3HD1  LEU 136          3HD1      LEU 136  20.638 -12.660  -0.404
  886   1HD2  LEU 136          1HD2      LEU 136  17.601 -13.980   1.067
  887   2HD2  LEU 136          2HD2      LEU 136  17.649 -15.593   0.369
  888   3HD2  LEU 136          3HD2      LEU 136  17.166 -14.216  -0.623
  889    H    GLN 137           H        GLN 137  17.314 -16.111  -3.741
  890    HA   GLN 137           HA       GLN 137  19.094 -16.359  -6.133
  891   1HB   GLN 137          1HB       GLN 137  16.411 -17.735  -5.855
  892   2HB   GLN 137          2HB       GLN 137  17.635 -17.992  -7.095
  893   1HG   GLN 137          1HG       GLN 137  17.818 -18.723  -4.164
  894   2HG   GLN 137          2HG       GLN 137  17.769 -19.830  -5.534
  895   1HE2  GLN 137          1HE2      GLN 137  19.950 -18.879  -3.359
  896   2HE2  GLN 137          2HE2      GLN 137  21.342 -18.762  -4.308
  897   1H5*  ATP   1          1H5*      ATP   1   9.486   1.786  19.815
  898   2H5*  ATP   1          2H5*      ATP   1  10.693   1.648  21.057
  899    H4*  ATP   1           H4*      ATP   1  11.049   3.908  19.052
  900    H3*  ATP   1           H3*      ATP   1  11.761   3.479  21.935
  901   *HO3  ATP   1          *HO3      ATP   1  13.134   4.025  20.199
  902    H2*  ATP   1           H2*      ATP   1  10.293   4.997  22.788
  903   *HO2  ATP   1          *HO2      ATP   1  12.179   6.227  21.395
  904    H1*  ATP   1           H1*      ATP   1   9.707   6.197  20.056
  905    H8   ATP   1           H8       ATP   1   7.565   7.618  20.503
  906    H2   ATP   1           H2       ATP   1   7.426   2.575  24.482
  907   1HN6  ATP   1          1HN6      ATP   1   3.637   4.807  24.504
  908   2HN6  ATP   1          2HN6      ATP   1   3.671   5.973  23.189
  Start of MODEL    2
    1   1H    GLY  17          1H        GLY  17  47.720  -4.045  -7.800
    2   2H    GLY  17          2H        GLY  17  47.767  -4.576  -9.413
    3   3H    GLY  17          3H        GLY  17  48.942  -5.106  -8.306
    4   1HA   GLY  17          1HA       GLY  17  47.320  -6.844  -8.707
    5   2HA   GLY  17          2HA       GLY  17  47.254  -6.282  -7.036
    6    H    ALA  18           H        ALA  18  46.076  -3.763  -8.749
    7    HA   ALA  18           HA       ALA  18  43.356  -4.243  -7.937
    8   1HB   ALA  18          1HB       ALA  18  44.748  -2.140  -9.581
    9   2HB   ALA  18          2HB       ALA  18  43.925  -1.967  -8.032
   10   3HB   ALA  18          3HB       ALA  18  42.986  -2.167  -9.511
   11    HA   PRO  19           HA       PRO  19  41.918  -6.462 -11.511
   12   1HB   PRO  19          1HB       PRO  19  39.277  -5.774 -11.575
   13   2HB   PRO  19          2HB       PRO  19  39.960  -6.817 -10.312
   14   1HG   PRO  19          1HG       PRO  19  39.360  -3.883 -10.226
   15   2HG   PRO  19          2HG       PRO  19  39.017  -5.133  -9.017
   16   1HD   PRO  19          1HD       PRO  19  41.170  -3.451  -8.825
   17   2HD   PRO  19          2HD       PRO  19  41.202  -5.112  -8.197
   18    H    GLU  20           H        GLU  20  42.005  -6.087 -13.699
   19    HA   GLU  20           HA       GLU  20  41.070  -3.465 -14.775
   20   1HB   GLU  20          1HB       GLU  20  43.754  -4.690 -15.480
   21   2HB   GLU  20          2HB       GLU  20  43.113  -3.145 -16.036
   22   1HG   GLU  20          1HG       GLU  20  43.781  -3.857 -13.163
   23   2HG   GLU  20          2HG       GLU  20  44.725  -2.798 -14.210
   24    H    GLY  21           H        GLY  21  40.006  -3.722 -16.699
   25   1HA   GLY  21          1HA       GLY  21  40.552  -5.516 -18.767
   26   2HA   GLY  21          2HA       GLY  21  39.479  -6.393 -17.676
   27    HA   PRO  22           HA       PRO  22  36.963  -4.051 -20.920
   28   1HB   PRO  22          1HB       PRO  22  35.263  -6.388 -20.084
   29   2HB   PRO  22          2HB       PRO  22  35.469  -5.667 -21.693
   30   1HG   PRO  22          1HG       PRO  22  36.710  -7.929 -21.045
   31   2HG   PRO  22          2HG       PRO  22  37.522  -6.697 -22.025
   32   1HD   PRO  22          1HD       PRO  22  37.954  -7.411 -19.144
   33   2HD   PRO  22          2HD       PRO  22  39.119  -6.798 -20.338
   34    H    GLY  23           H        GLY  23  34.531  -3.399 -20.590
   35   1HA   GLY  23          1HA       GLY  23  33.393  -3.404 -17.961
   36   2HA   GLY  23          2HA       GLY  23  34.277  -1.899 -18.208
   37    HA   PRO  24           HA       PRO  24  30.916  -1.760 -21.608
   38   1HB   PRO  24          1HB       PRO  24  29.319  -3.917 -22.040
   39   2HB   PRO  24          2HB       PRO  24  30.942  -3.789 -22.746
   40   1HG   PRO  24          1HG       PRO  24  30.048  -5.291 -20.315
   41   2HG   PRO  24          2HG       PRO  24  31.136  -5.808 -21.615
   42   1HD   PRO  24          1HD       PRO  24  32.032  -4.868 -19.181
   43   2HD   PRO  24          2HD       PRO  24  32.965  -4.706 -20.684
   44    H    SER  25           H        SER  25  30.329  -0.594 -19.410
   45    HA   SER  25           HA       SER  25  27.966  -1.629 -18.032
   46   1HB   SER  25          1HB       SER  25  28.042   0.501 -16.798
   47   2HB   SER  25          2HB       SER  25  29.642  -0.240 -16.850
   48    HG   SER  25           HG       SER  25  29.196   1.333 -19.004
   49    H    GLY  26           H        GLY  26  25.919  -1.380 -18.775
   50   1HA   GLY  26          1HA       GLY  26  24.907   1.060 -19.879
   51   2HA   GLY  26          2HA       GLY  26  25.245  -0.071 -21.189
   52    H    GLY  27           H        GLY  27  23.866  -1.829 -21.482
   53   1HA   GLY  27          1HA       GLY  27  22.163  -3.043 -19.633
   54   2HA   GLY  27          2HA       GLY  27  21.249  -1.671 -20.260
   55    H    ALA  28           H        ALA  28  19.935  -3.720 -20.977
   56    HA   ALA  28           HA       ALA  28  20.949  -5.253 -23.210
   57   1HB   ALA  28          1HB       ALA  28  18.712  -6.121 -23.399
   58   2HB   ALA  28          2HB       ALA  28  18.045  -4.751 -22.511
   59   3HB   ALA  28          3HB       ALA  28  19.047  -5.938 -21.677
   60    H    GLN  29           H        GLN  29  19.675  -2.080 -22.897
   61    HA   GLN  29           HA       GLN  29  19.859  -1.704 -25.818
   62   1HB   GLN  29          1HB       GLN  29  17.294  -1.220 -24.270
   63   2HB   GLN  29          2HB       GLN  29  17.595  -0.622 -25.902
   64   1HG   GLN  29          1HG       GLN  29  18.089  -3.058 -26.538
   65   2HG   GLN  29          2HG       GLN  29  17.386  -3.495 -24.981
   66   1HE2  GLN  29          1HE2      GLN  29  15.740  -0.762 -25.749
   67   2HE2  GLN  29          2HE2      GLN  29  14.436  -1.424 -26.611
   68    H    GLY  30           H        GLY  30  20.500  -0.692 -22.769
   69   1HA   GLY  30          1HA       GLY  30  21.510   1.310 -22.034
   70   2HA   GLY  30          2HA       GLY  30  21.325   1.950 -23.667
   71    H    GLY  31           H        GLY  31  18.343   1.028 -23.297
   72   1HA   GLY  31          1HA       GLY  31  17.402   3.657 -22.454
   73   2HA   GLY  31          2HA       GLY  31  16.385   2.307 -22.958
   74    H    SER  32           H        SER  32  18.769   1.707 -20.516
   75    HA   SER  32           HA       SER  32  16.785   0.852 -18.616
   76   1HB   SER  32          1HB       SER  32  19.015  -0.118 -18.573
   77   2HB   SER  32          2HB       SER  32  19.736   1.464 -18.279
   78    HG   SER  32           HG       SER  32  18.939   1.484 -16.269
   79    H    ILE  33           H        ILE  33  16.721   1.810 -16.330
   80    HA   ILE  33           HA       ILE  33  15.980   4.602 -16.518
   81    HB   ILE  33           HB       ILE  33  15.726   4.372 -13.997
   82   1HG1  ILE  33          1HG1      ILE  33  16.306   1.452 -14.541
   83   2HG1  ILE  33          2HG1      ILE  33  17.530   2.553 -13.910
   84   1HG2  ILE  33          1HG2      ILE  33  13.858   3.948 -15.539
   85   2HG2  ILE  33          2HG2      ILE  33  13.809   2.812 -14.191
   86   3HG2  ILE  33          3HG2      ILE  33  14.407   2.288 -15.765
   87   1HD1  ILE  33          1HD1      ILE  33  14.842   1.966 -12.631
   88   2HD1  ILE  33          2HD1      ILE  33  16.041   3.099 -12.007
   89   3HD1  ILE  33          3HD1      ILE  33  16.404   1.374 -12.066
   90    H    HIS  34           H        HIS  34  16.908   6.115 -14.665
   91    HA   HIS  34           HA       HIS  34  19.699   6.527 -15.272
   92   1HB   HIS  34          1HB       HIS  34  19.502   8.248 -13.381
   93   2HB   HIS  34          2HB       HIS  34  18.418   8.472 -14.755
   94    HD1  HIS  34           HD1      HIS  34  18.399   6.928 -11.273
   95    HD2  HIS  34           HD2      HIS  34  15.726   8.472 -14.074
   96    HE1  HIS  34           HE1      HIS  34  16.130   6.972 -10.149
   97    H    SER  35           H        SER  35  21.293   5.266 -14.444
   98    HA   SER  35           HA       SER  35  20.919   3.613 -12.101
   99   1HB   SER  35          1HB       SER  35  23.571   4.369 -13.346
  100   2HB   SER  35          2HB       SER  35  23.175   2.902 -12.452
  101    HG   SER  35           HG       SER  35  21.868   2.249 -14.125
  102    H    GLY  36           H        GLY  36  21.762   3.921 -10.007
  103   1HA   GLY  36          1HA       GLY  36  23.578   5.867  -9.140
  104   2HA   GLY  36          2HA       GLY  36  22.002   6.657  -9.120
  105    H    ARG  37           H        ARG  37  20.943   6.484  -7.209
  106    HA   ARG  37           HA       ARG  37  20.715   3.989  -5.773
  107   1HB   ARG  37          1HB       ARG  37  23.041   4.609  -5.144
  108   2HB   ARG  37          2HB       ARG  37  22.440   6.138  -4.503
  109   1HG   ARG  37          1HG       ARG  37  21.193   5.044  -2.790
  110   2HG   ARG  37          2HG       ARG  37  21.375   3.469  -3.562
  111   1HD   ARG  37          1HD       ARG  37  23.697   3.363  -3.019
  112   2HD   ARG  37          2HD       ARG  37  23.747   5.071  -2.582
  113    HE   ARG  37           HE       ARG  37  22.806   2.886  -0.876
  114   1HH1  ARG  37          1HH1      ARG  37  22.720   6.249  -1.635
  115   2HH1  ARG  37          2HH1      ARG  37  22.259   6.733  -0.037
  116   1HH2  ARG  37          1HH2      ARG  37  22.205   3.500   1.214
  117   2HH2  ARG  37          2HH2      ARG  37  21.967   5.177   1.576
  118    H    ILE  38           H        ILE  38  19.121   4.146  -4.126
  119    HA   ILE  38           HA       ILE  38  18.006   6.846  -3.536
  120    HB   ILE  38           HB       ILE  38  16.336   4.529  -4.584
  121   1HG1  ILE  38          1HG1      ILE  38  17.257   7.127  -5.839
  122   2HG1  ILE  38          2HG1      ILE  38  17.617   5.493  -6.391
  123   1HG2  ILE  38          1HG2      ILE  38  15.487   7.398  -4.078
  124   2HG2  ILE  38          2HG2      ILE  38  15.259   6.119  -2.886
  125   3HG2  ILE  38          3HG2      ILE  38  14.456   6.018  -4.448
  126   1HD1  ILE  38          1HD1      ILE  38  15.068   5.197  -6.633
  127   2HD1  ILE  38          2HD1      ILE  38  15.870   6.226  -7.820
  128   3HD1  ILE  38          3HD1      ILE  38  14.974   6.952  -6.485
  129    H    ALA  39           H        ALA  39  18.522   6.685  -1.383
  130    HA   ALA  39           HA       ALA  39  17.396   4.362   0.158
  131   1HB   ALA  39          1HB       ALA  39  19.929   4.787   0.177
  132   2HB   ALA  39          2HB       ALA  39  19.139   4.660   1.748
  133   3HB   ALA  39          3HB       ALA  39  19.566   6.244   1.101
  134    H    ALA  40           H        ALA  40  15.357   5.181   0.652
  135    HA   ALA  40           HA       ALA  40  15.304   7.483   2.526
  136   1HB   ALA  40          1HB       ALA  40  13.782   8.767   1.296
  137   2HB   ALA  40          2HB       ALA  40  13.253   7.396   0.320
  138   3HB   ALA  40          3HB       ALA  40  14.823   8.136   0.023
  139    H    VAL  41           H        VAL  41  12.712   7.703   3.072
  140    HA   VAL  41           HA       VAL  41  12.079   5.208   4.424
  141    HB   VAL  41           HB       VAL  41  10.466   7.755   4.113
  142   1HG1  VAL  41          1HG1      VAL  41   9.265   6.906   6.140
  143   2HG1  VAL  41          2HG1      VAL  41  10.117   5.375   5.953
  144   3HG1  VAL  41          3HG1      VAL  41   8.994   5.920   4.705
  145   1HG2  VAL  41          1HG2      VAL  41  11.243   8.049   6.535
  146   2HG2  VAL  41          2HG2      VAL  41  12.479   8.272   5.300
  147   3HG2  VAL  41          3HG2      VAL  41  12.405   6.763   6.211
  148    H    HIS  42           H        HIS  42  10.414   3.766   3.919
  149    HA   HIS  42           HA       HIS  42   8.677   4.276   1.578
  150   1HB   HIS  42          1HB       HIS  42  10.896   2.249   1.687
  151   2HB   HIS  42          2HB       HIS  42   9.448   1.884   0.752
  152    HD1  HIS  42           HD1      HIS  42   9.332   2.827  -1.551
  153    HD2  HIS  42           HD2      HIS  42  12.199   4.769   0.764
  154    HE1  HIS  42           HE1      HIS  42  10.568   4.392  -3.105
  155    H    ASN  43           H        ASN  43   6.813   2.963   1.608
  156    HA   ASN  43           HA       ASN  43   6.255   1.612   4.167
  157   1HB   ASN  43          1HB       ASN  43   4.588   2.135   1.688
  158   2HB   ASN  43          2HB       ASN  43   3.984   1.280   3.105
  159   1HD2  ASN  43          1HD2      ASN  43   2.673   3.631   2.488
  160   2HD2  ASN  43          2HD2      ASN  43   3.109   4.856   3.573
  161    H    VAL  44           H        VAL  44   7.488  -0.303   4.131
  162    HA   VAL  44           HA       VAL  44   7.352  -2.044   1.755
  163    HB   VAL  44           HB       VAL  44   9.458  -1.631   3.166
  164   1HG1  VAL  44          1HG1      VAL  44   8.268  -3.792   4.907
  165   2HG1  VAL  44          2HG1      VAL  44   8.230  -2.086   5.354
  166   3HG1  VAL  44          3HG1      VAL  44   9.775  -2.910   5.146
  167   1HG2  VAL  44          1HG2      VAL  44   9.293  -3.393   1.446
  168   2HG2  VAL  44          2HG2      VAL  44   8.588  -4.485   2.638
  169   3HG2  VAL  44          3HG2      VAL  44  10.251  -3.934   2.823
  170    HA   PRO  45           HA       PRO  45   3.619  -4.101   3.307
  171   1HB   PRO  45          1HB       PRO  45   4.854  -6.440   1.888
  172   2HB   PRO  45          2HB       PRO  45   3.179  -5.857   1.846
  173   1HG   PRO  45          1HG       PRO  45   4.850  -5.356  -0.157
  174   2HG   PRO  45          2HG       PRO  45   3.690  -4.136   0.389
  175   1HD   PRO  45          1HD       PRO  45   6.651  -4.251   0.815
  176   2HD   PRO  45          2HD       PRO  45   5.589  -2.840   0.644
  177    H    LEU  46           H        LEU  46   3.132  -5.304   5.101
  178    HA   LEU  46           HA       LEU  46   5.238  -6.186   6.852
  179   1HB   LEU  46          1HB       LEU  46   2.284  -6.833   6.858
  180   2HB   LEU  46          2HB       LEU  46   3.382  -7.158   8.184
  181    HG   LEU  46           HG       LEU  46   3.238  -4.339   7.152
  182   1HD1  LEU  46          1HD1      LEU  46   0.904  -4.899   7.303
  183   2HD1  LEU  46          2HD1      LEU  46   1.323  -3.919   8.710
  184   3HD1  LEU  46          3HD1      LEU  46   1.140  -5.665   8.872
  185   1HD2  LEU  46          1HD2      LEU  46   3.432  -3.891   9.639
  186   2HD2  LEU  46          2HD2      LEU  46   4.810  -4.733   8.942
  187   3HD2  LEU  46          3HD2      LEU  46   3.608  -5.624   9.876
  188    H    SER  47           H        SER  47   3.196  -7.741   4.475
  189    HA   SER  47           HA       SER  47   3.669 -10.449   5.278
  190   1HB   SER  47          1HB       SER  47   1.838 -10.262   3.870
  191   2HB   SER  47          2HB       SER  47   2.644  -9.116   2.801
  192    HG   SER  47           HG       SER  47   3.453 -10.704   1.698
  193    H    VAL  48           H        VAL  48   5.809  -8.263   3.601
  194    HA   VAL  48           HA       VAL  48   7.439 -10.607   2.669
  195    HB   VAL  48           HB       VAL  48   8.401  -9.205   1.017
  196   1HG1  VAL  48          1HG1      VAL  48   6.411  -8.398  -0.224
  197   2HG1  VAL  48          2HG1      VAL  48   5.443  -8.605   1.233
  198   3HG1  VAL  48          3HG1      VAL  48   6.169 -10.008   0.452
  199   1HG2  VAL  48          1HG2      VAL  48   7.072  -6.925   2.486
  200   2HG2  VAL  48          2HG2      VAL  48   7.728  -6.765   0.861
  201   3HG2  VAL  48          3HG2      VAL  48   8.795  -7.162   2.206
  202    H    LEU  49           H        LEU  49   7.389  -9.308   5.444
  203    HA   LEU  49           HA       LEU  49  10.143  -8.208   5.583
  204   1HB   LEU  49          1HB       LEU  49   7.955  -8.569   7.651
  205   2HB   LEU  49          2HB       LEU  49   9.571  -8.002   8.052
  206    HG   LEU  49           HG       LEU  49   7.701  -6.652   6.081
  207   1HD1  LEU  49          1HD1      LEU  49   8.543  -5.700   8.828
  208   2HD1  LEU  49          2HD1      LEU  49   7.057  -6.608   8.555
  209   3HD1  LEU  49          3HD1      LEU  49   7.282  -5.033   7.794
  210   1HD2  LEU  49          1HD2      LEU  49  10.530  -6.151   6.963
  211   2HD2  LEU  49          2HD2      LEU  49   9.500  -4.755   6.653
  212   3HD2  LEU  49          3HD2      LEU  49   9.795  -5.928   5.375
  213    H    ILE  50           H        ILE  50  11.824  -9.503   6.037
  214    HA   ILE  50           HA       ILE  50  11.317 -12.305   6.873
  215    HB   ILE  50           HB       ILE  50  13.933 -11.006   6.118
  216   1HG1  ILE  50          1HG1      ILE  50  11.799 -12.290   4.401
  217   2HG1  ILE  50          2HG1      ILE  50  12.396 -10.641   4.288
  218   1HG2  ILE  50          1HG2      ILE  50  14.690 -13.233   5.731
  219   2HG2  ILE  50          2HG2      ILE  50  13.057 -13.886   5.864
  220   3HG2  ILE  50          3HG2      ILE  50  13.879 -13.262   7.295
  221   1HD1  ILE  50          1HD1      ILE  50  14.695 -11.643   3.824
  222   2HD1  ILE  50          2HD1      ILE  50  13.495 -11.845   2.550
  223   3HD1  ILE  50          3HD1      ILE  50  13.874 -13.191   3.622
  224    H    ARG  51           H        ARG  51  11.410 -12.759   8.987
  225    HA   ARG  51           HA       ARG  51  13.447 -11.390  10.704
  226   1HB   ARG  51          1HB       ARG  51  10.604 -12.002  11.558
  227   2HB   ARG  51          2HB       ARG  51  11.842 -11.174  12.501
  228   1HG   ARG  51          1HG       ARG  51  11.914  -9.477  10.550
  229   2HG   ARG  51          2HG       ARG  51  10.388 -10.192  10.042
  230   1HD   ARG  51          1HD       ARG  51   9.778  -8.357  11.417
  231   2HD   ARG  51          2HD       ARG  51   9.569  -9.774  12.437
  232    HE   ARG  51           HE       ARG  51  11.777  -7.779  12.648
  233   1HH1  ARG  51          1HH1      ARG  51  10.163 -10.628  13.810
  234   2HH1  ARG  51          2HH1      ARG  51  10.970 -10.600  15.339
  235   1HH2  ARG  51          1HH2      ARG  51  12.818  -7.761  14.635
  236   2HH2  ARG  51          2HH2      ARG  51  12.466  -8.989  15.804
  237    HA   PRO  52           HA       PRO  52  13.616 -15.906  11.529
  238   1HB   PRO  52          1HB       PRO  52  16.196 -16.339  11.053
  239   2HB   PRO  52          2HB       PRO  52  15.097 -15.978   9.706
  240   1HG   PRO  52          1HG       PRO  52  17.066 -14.193  11.082
  241   2HG   PRO  52          2HG       PRO  52  16.664 -14.305   9.363
  242   1HD   PRO  52          1HD       PRO  52  15.592 -12.421  11.213
  243   2HD   PRO  52          2HD       PRO  52  14.976 -12.745   9.578
  244    H    LEU  53           H        LEU  53  14.006 -13.514  13.479
  245    HA   LEU  53           HA       LEU  53  15.705 -14.988  15.474
  246   1HB   LEU  53          1HB       LEU  53  16.612 -12.801  14.300
  247   2HB   LEU  53          2HB       LEU  53  15.548 -11.979  15.432
  248    HG   LEU  53           HG       LEU  53  17.548 -14.051  16.383
  249   1HD1  LEU  53          1HD1      LEU  53  17.970 -11.085  15.934
  250   2HD1  LEU  53          2HD1      LEU  53  18.860 -12.410  15.175
  251   3HD1  LEU  53          3HD1      LEU  53  19.038 -12.102  16.904
  252   1HD2  LEU  53          1HD2      LEU  53  15.839 -13.425  17.996
  253   2HD2  LEU  53          2HD2      LEU  53  16.110 -11.713  17.677
  254   3HD2  LEU  53          3HD2      LEU  53  17.358 -12.670  18.471
  255    HA   PRO  54           HA       PRO  54  11.513 -14.703  17.404
  256   1HB   PRO  54          1HB       PRO  54  13.165 -15.969  19.576
  257   2HB   PRO  54          2HB       PRO  54  11.531 -16.382  19.021
  258   1HG   PRO  54          1HG       PRO  54  13.621 -17.854  18.303
  259   2HG   PRO  54          2HG       PRO  54  12.320 -17.507  17.152
  260   1HD   PRO  54          1HD       PRO  54  15.083 -16.345  17.295
  261   2HD   PRO  54          2HD       PRO  54  14.076 -16.680  15.874
  262    H    SER  55           H        SER  55  10.814 -13.720  19.577
  263    HA   SER  55           HA       SER  55  12.779 -12.045  20.958
  264   1HB   SER  55          1HB       SER  55  10.699 -10.839  19.126
  265   2HB   SER  55          2HB       SER  55  11.465  -9.926  20.422
  266    HG   SER  55           HG       SER  55  13.498 -10.769  19.390
  267    H    VAL  56           H        VAL  56  11.742 -10.821  22.741
  268    HA   VAL  56           HA       VAL  56   9.276 -12.206  23.727
  269    HB   VAL  56           HB       VAL  56  11.399 -10.685  25.275
  270   1HG1  VAL  56          1HG1      VAL  56  10.259 -11.813  27.225
  271   2HG1  VAL  56          2HG1      VAL  56   8.984 -12.313  26.114
  272   3HG1  VAL  56          3HG1      VAL  56   9.269 -10.599  26.416
  273   1HG2  VAL  56          1HG2      VAL  56  11.929 -13.021  26.127
  274   2HG2  VAL  56          2HG2      VAL  56  12.376 -12.718  24.448
  275   3HG2  VAL  56          3HG2      VAL  56  10.920 -13.640  24.820
  276    H    LEU  57           H        LEU  57   7.520 -10.945  23.276
  277    HA   LEU  57           HA       LEU  57   7.801  -7.998  23.224
  278   1HB   LEU  57          1HB       LEU  57   5.374  -9.701  22.658
  279   2HB   LEU  57          2HB       LEU  57   5.549  -7.987  22.314
  280    HG   LEU  57           HG       LEU  57   7.271 -10.176  21.110
  281   1HD1  LEU  57          1HD1      LEU  57   5.090 -10.382  20.158
  282   2HD1  LEU  57          2HD1      LEU  57   6.018  -9.432  18.998
  283   3HD1  LEU  57          3HD1      LEU  57   4.878  -8.632  20.083
  284   1HD2  LEU  57          1HD2      LEU  57   7.746  -8.121  19.521
  285   2HD2  LEU  57          2HD2      LEU  57   8.609  -8.261  21.049
  286   3HD2  LEU  57          3HD2      LEU  57   7.230  -7.170  20.916
  287    H    ASP  58           H        ASP  58   6.681  -6.632  24.528
  288    HA   ASP  58           HA       ASP  58   5.542  -7.780  27.035
  289   1HB   ASP  58          1HB       ASP  58   7.428  -6.396  27.506
  290   2HB   ASP  58          2HB       ASP  58   6.899  -5.149  26.392
  291    HA   PRO  59           HA       PRO  59   1.674  -6.141  25.446
  292   1HB   PRO  59          1HB       PRO  59   0.095  -6.339  27.642
  293   2HB   PRO  59          2HB       PRO  59   0.699  -7.773  26.788
  294   1HG   PRO  59          1HG       PRO  59   1.768  -6.467  29.266
  295   2HG   PRO  59          2HG       PRO  59   1.461  -8.177  28.951
  296   1HD   PRO  59          1HD       PRO  59   3.958  -7.070  28.727
  297   2HD   PRO  59          2HD       PRO  59   3.429  -8.446  27.735
  298    H    ALA  60           H        ALA  60   3.324  -4.592  28.102
  299    HA   ALA  60           HA       ALA  60   1.467  -2.327  28.231
  300   1HB   ALA  60          1HB       ALA  60   4.270  -2.427  29.356
  301   2HB   ALA  60          2HB       ALA  60   2.906  -3.203  30.160
  302   3HB   ALA  60          3HB       ALA  60   2.907  -1.457  29.914
  303    H    LYS  61           H        LYS  61   4.735  -2.908  26.900
  304    HA   LYS  61           HA       LYS  61   5.011  -0.204  25.965
  305   1HB   LYS  61          1HB       LYS  61   6.719  -2.384  26.280
  306   2HB   LYS  61          2HB       LYS  61   6.600  -2.260  24.537
  307   1HG   LYS  61          1HG       LYS  61   7.189   0.169  26.223
  308   2HG   LYS  61          2HG       LYS  61   8.471  -0.930  25.747
  309   1HD   LYS  61          1HD       LYS  61   6.598   0.082  23.612
  310   2HD   LYS  61          2HD       LYS  61   7.854   1.159  24.216
  311   1HE   LYS  61          1HE       LYS  61   8.305  -1.616  23.072
  312   2HE   LYS  61          2HE       LYS  61   8.651  -0.094  22.252
  313   1HZ   LYS  61          1HZ       LYS  61  10.036   0.367  24.377
  314   2HZ   LYS  61          2HZ       LYS  61  10.678  -0.616  23.149
  315   3HZ   LYS  61          3HZ       LYS  61  10.018  -1.320  24.546
  316    H    VAL  62           H        VAL  62   3.684  -3.153  24.544
  317    HA   VAL  62           HA       VAL  62   3.603  -2.161  21.834
  318    HB   VAL  62           HB       VAL  62   1.958  -4.280  23.256
  319   1HG1  VAL  62          1HG1      VAL  62   1.450  -4.986  20.841
  320   2HG1  VAL  62          2HG1      VAL  62   1.996  -3.376  20.369
  321   3HG1  VAL  62          3HG1      VAL  62   0.601  -3.558  21.432
  322   1HG2  VAL  62          1HG2      VAL  62   4.151  -4.550  21.179
  323   2HG2  VAL  62          2HG2      VAL  62   3.409  -5.843  22.121
  324   3HG2  VAL  62          3HG2      VAL  62   4.438  -4.653  22.915
  325    H    GLN  63           H        GLN  63   1.417  -1.926  24.603
  326    HA   GLN  63           HA       GLN  63  -0.798  -0.793  23.148
  327   1HB   GLN  63          1HB       GLN  63   0.031  -0.916  26.038
  328   2HB   GLN  63          2HB       GLN  63  -1.247   0.209  25.584
  329   1HG   GLN  63          1HG       GLN  63  -1.328  -2.695  24.742
  330   2HG   GLN  63          2HG       GLN  63  -1.970  -2.163  26.295
  331   1HE2  GLN  63          1HE2      GLN  63  -4.112  -2.920  25.282
  332   2HE2  GLN  63          2HE2      GLN  63  -4.952  -1.821  24.298
  333    H    SER  64           H        SER  64   2.011   0.619  24.810
  334    HA   SER  64           HA       SER  64   1.271   3.354  24.528
  335   1HB   SER  64          1HB       SER  64   3.166   2.618  25.927
  336   2HB   SER  64          2HB       SER  64   4.044   2.119  24.481
  337    HG   SER  64           HG       SER  64   4.753   4.133  24.865
  338    H    LEU  65           H        LEU  65   2.948   1.136  22.314
  339    HA   LEU  65           HA       LEU  65   3.408   3.180  20.308
  340   1HB   LEU  65          1HB       LEU  65   3.775   0.227  20.568
  341   2HB   LEU  65          2HB       LEU  65   3.630   0.841  18.929
  342    HG   LEU  65           HG       LEU  65   5.510   2.192  20.866
  343   1HD1  LEU  65          1HD1      LEU  65   7.299   0.651  19.788
  344   2HD1  LEU  65          2HD1      LEU  65   5.945  -0.411  19.403
  345   3HD1  LEU  65          3HD1      LEU  65   6.306  -0.020  21.083
  346   1HD2  LEU  65          1HD2      LEU  65   5.479   1.794  17.855
  347   2HD2  LEU  65          2HD2      LEU  65   6.737   2.654  18.741
  348   3HD2  LEU  65          3HD2      LEU  65   5.092   3.285  18.713
  349    H    VAL  66           H        VAL  66   1.098   0.457  20.597
  350    HA   VAL  66           HA       VAL  66  -0.368   0.956  18.236
  351    HB   VAL  66           HB       VAL  66  -1.129  -0.190  20.929
  352   1HG1  VAL  66          1HG1      VAL  66  -3.210   0.662  20.152
  353   2HG1  VAL  66          2HG1      VAL  66  -3.201  -1.041  19.695
  354   3HG1  VAL  66          3HG1      VAL  66  -2.861   0.197  18.488
  355   1HG2  VAL  66          1HG2      VAL  66  -1.237  -2.287  19.570
  356   2HG2  VAL  66          2HG2      VAL  66   0.364  -1.546  19.573
  357   3HG2  VAL  66          3HG2      VAL  66  -0.693  -1.362  18.171
  358    H    ASP  67           H        ASP  67  -0.409   2.556  21.357
  359    HA   ASP  67           HA       ASP  67  -2.832   4.096  20.830
  360   1HB   ASP  67          1HB       ASP  67  -1.756   3.523  23.125
  361   2HB   ASP  67          2HB       ASP  67  -0.677   4.874  22.805
  362    H    THR  68           H        THR  68   0.656   4.655  20.554
  363    HA   THR  68           HA       THR  68   0.496   7.440  19.913
  364    HB   THR  68           HB       THR  68   2.609   5.561  18.843
  365    HG1  THR  68           HG1      THR  68   2.175   6.524  21.463
  366   1HG2  THR  68          1HG2      THR  68   4.042   7.490  19.071
  367   2HG2  THR  68          2HG2      THR  68   2.784   8.382  19.926
  368   3HG2  THR  68          3HG2      THR  68   2.586   8.000  18.217
  369    H    ILE  69           H        ILE  69   0.800   4.580  17.794
  370    HA   ILE  69           HA       ILE  69   0.631   5.953  15.322
  371    HB   ILE  69           HB       ILE  69  -0.431   3.186  15.979
  372   1HG1  ILE  69          1HG1      ILE  69   2.337   4.192  15.253
  373   2HG1  ILE  69          2HG1      ILE  69   1.868   3.320  16.705
  374   1HG2  ILE  69          1HG2      ILE  69   0.655   4.256  13.354
  375   2HG2  ILE  69          2HG2      ILE  69  -1.066   4.225  13.731
  376   3HG2  ILE  69          3HG2      ILE  69  -0.163   2.719  13.626
  377   1HD1  ILE  69          1HD1      ILE  69   1.193   1.389  15.191
  378   2HD1  ILE  69          2HD1      ILE  69   2.922   1.709  15.294
  379   3HD1  ILE  69          3HD1      ILE  69   2.009   2.246  13.884
  380    H    ARG  70           H        ARG  70  -1.925   4.693  17.445
  381    HA   ARG  70           HA       ARG  70  -4.067   5.490  15.639
  382   1HB   ARG  70          1HB       ARG  70  -3.852   4.283  18.364
  383   2HB   ARG  70          2HB       ARG  70  -5.352   5.116  18.004
  384   1HG   ARG  70          1HG       ARG  70  -5.690   3.721  16.024
  385   2HG   ARG  70          2HG       ARG  70  -4.129   2.942  16.278
  386   1HD   ARG  70          1HD       ARG  70  -4.888   1.990  18.382
  387   2HD   ARG  70          2HD       ARG  70  -6.404   2.887  18.283
  388    HE   ARG  70           HE       ARG  70  -6.355   1.390  15.947
  389   1HH1  ARG  70          1HH1      ARG  70  -6.037   0.790  19.327
  390   2HH1  ARG  70          2HH1      ARG  70  -6.720  -0.800  19.244
  391   1HH2  ARG  70          1HH2      ARG  70  -7.249  -0.682  15.819
  392   2HH2  ARG  70          2HH2      ARG  70  -7.406  -1.633  17.258
  393    H    GLU  71           H        GLU  71  -2.422   7.001  18.382
  394    HA   GLU  71           HA       GLU  71  -4.399   9.190  18.485
  395   1HB   GLU  71          1HB       GLU  71  -3.271   8.254  20.542
  396   2HB   GLU  71          2HB       GLU  71  -1.763   8.957  19.957
  397   1HG   GLU  71          1HG       GLU  71  -2.821  11.191  19.931
  398   2HG   GLU  71          2HG       GLU  71  -4.320  10.484  20.533
  399    H    ASP  72           H        ASP  72  -1.088   8.637  17.369
  400    HA   ASP  72           HA       ASP  72  -1.268  11.049  15.698
  401   1HB   ASP  72          1HB       ASP  72  -0.403  11.708  18.031
  402   2HB   ASP  72          2HB       ASP  72   1.053  10.813  17.613
  403    HA   PRO  73           HA       PRO  73   1.176   7.636  13.796
  404   1HB   PRO  73          1HB       PRO  73   0.493   8.086  11.192
  405   2HB   PRO  73          2HB       PRO  73  -0.552   7.206  12.324
  406   1HG   PRO  73          1HG       PRO  73  -0.709  10.050  11.417
  407   2HG   PRO  73          2HG       PRO  73  -2.011   8.877  11.670
  408   1HD   PRO  73          1HD       PRO  73  -1.360  10.839  13.485
  409   2HD   PRO  73          2HD       PRO  73  -2.115   9.301  13.950
  410    H    ASP  74           H        ASP  74   1.485  11.013  13.579
  411    HA   ASP  74           HA       ASP  74   3.733  10.956  11.664
  412   1HB   ASP  74          1HB       ASP  74   3.862  13.432  12.321
  413   2HB   ASP  74          2HB       ASP  74   2.392  12.911  11.499
  414    H    SER  75           H        SER  75   3.243  11.429  15.168
  415    HA   SER  75           HA       SER  75   6.033  11.967  15.722
  416   1HB   SER  75          1HB       SER  75   3.891  10.911  17.591
  417   2HB   SER  75          2HB       SER  75   5.404  11.685  18.060
  418    HG   SER  75           HG       SER  75   3.578  12.976  16.353
  419    H    VAL  76           H        VAL  76   5.229   9.408  14.187
  420    HA   VAL  76           HA       VAL  76   6.616   7.432  15.965
  421    HB   VAL  76           HB       VAL  76   4.844   6.692  13.634
  422   1HG1  VAL  76          1HG1      VAL  76   4.716   4.582  14.690
  423   2HG1  VAL  76          2HG1      VAL  76   5.254   5.219  16.244
  424   3HG1  VAL  76          3HG1      VAL  76   6.400   5.055  14.910
  425   1HG2  VAL  76          1HG2      VAL  76   3.014   6.438  15.372
  426   2HG2  VAL  76          2HG2      VAL  76   3.425   8.103  14.961
  427   3HG2  VAL  76          3HG2      VAL  76   4.020   7.393  16.461
  428    HA   PRO  77           HA       PRO  77   9.454   8.081  12.442
  429   1HB   PRO  77          1HB       PRO  77  11.748   7.146  13.632
  430   2HB   PRO  77          2HB       PRO  77  11.108   8.779  13.876
  431   1HG   PRO  77          1HG       PRO  77  10.971   6.389  15.647
  432   2HG   PRO  77          2HG       PRO  77  11.107   8.101  16.075
  433   1HD   PRO  77          1HD       PRO  77   8.742   6.595  16.159
  434   2HD   PRO  77          2HD       PRO  77   8.814   8.370  16.124
  435    HA   PRO  78           HA       PRO  78   9.637   3.989  10.709
  436   1HB   PRO  78          1HB       PRO  78  11.650   4.215   8.902
  437   2HB   PRO  78          2HB       PRO  78  10.120   5.089   8.722
  438   1HG   PRO  78          1HG       PRO  78  12.751   6.065   9.767
  439   2HG   PRO  78          2HG       PRO  78  11.629   6.855   8.648
  440   1HD   PRO  78          1HD       PRO  78  11.751   7.451  11.332
  441   2HD   PRO  78          2HD       PRO  78  10.279   7.642  10.366
  442    H    ILE  79           H        ILE  79  11.206   2.135  10.235
  443    HA   ILE  79           HA       ILE  79  13.281   1.973  12.403
  444    HB   ILE  79           HB       ILE  79  12.942  -0.555  12.041
  445   1HG1  ILE  79          1HG1      ILE  79  10.250   0.261  10.930
  446   2HG1  ILE  79          2HG1      ILE  79  11.612   0.006   9.838
  447   1HG2  ILE  79          1HG2      ILE  79  12.112   0.366  14.056
  448   2HG2  ILE  79          2HG2      ILE  79  10.720  -0.463  13.359
  449   3HG2  ILE  79          3HG2      ILE  79  10.864   1.289  13.220
  450   1HD1  ILE  79          1HD1      ILE  79  10.325  -2.062  10.079
  451   2HD1  ILE  79          2HD1      ILE  79  10.525  -2.002  11.830
  452   3HD1  ILE  79          3HD1      ILE  79  11.926  -2.260  10.791
  453    H    ASP  80           H        ASP  80  15.153   0.525  11.819
  454    HA   ASP  80           HA       ASP  80  16.083   1.195   9.093
  455   1HB   ASP  80          1HB       ASP  80  17.497   1.392  11.252
  456   2HB   ASP  80          2HB       ASP  80  17.625  -0.364  11.176
  457    H    VAL  81           H        VAL  81  16.285  -0.312   7.474
  458    HA   VAL  81           HA       VAL  81  15.931  -3.202   8.136
  459    HB   VAL  81           HB       VAL  81  14.254  -1.519   6.265
  460   1HG1  VAL  81          1HG1      VAL  81  14.731  -4.506   6.159
  461   2HG1  VAL  81          2HG1      VAL  81  14.911  -3.342   4.848
  462   3HG1  VAL  81          3HG1      VAL  81  13.307  -3.738   5.463
  463   1HG2  VAL  81          1HG2      VAL  81  13.415  -1.844   8.534
  464   2HG2  VAL  81          2HG2      VAL  81  13.650  -3.587   8.400
  465   3HG2  VAL  81          3HG2      VAL  81  12.429  -2.783   7.412
  466    H    LEU  82           H        LEU  82  17.202  -4.524   6.916
  467    HA   LEU  82           HA       LEU  82  19.128  -3.232   5.093
  468   1HB   LEU  82          1HB       LEU  82  18.909  -6.137   5.922
  469   2HB   LEU  82          2HB       LEU  82  20.284  -5.381   5.124
  470    HG   LEU  82           HG       LEU  82  19.241  -4.416   7.802
  471   1HD1  LEU  82          1HD1      LEU  82  20.920  -5.781   8.887
  472   2HD1  LEU  82          2HD1      LEU  82  21.505  -6.372   7.332
  473   3HD1  LEU  82          3HD1      LEU  82  19.903  -6.833   7.905
  474   1HD2  LEU  82          1HD2      LEU  82  21.800  -4.034   6.227
  475   2HD2  LEU  82          2HD2      LEU  82  21.683  -3.656   7.944
  476   3HD2  LEU  82          3HD2      LEU  82  20.672  -2.798   6.786
  477    H    TRP  83           H        TRP  83  19.020  -3.338   2.933
  478    HA   TRP  83           HA       TRP  83  16.908  -5.048   1.665
  479   1HB   TRP  83          1HB       TRP  83  16.504  -2.681   1.388
  480   2HB   TRP  83          2HB       TRP  83  18.162  -2.399   0.921
  481    HD1  TRP  83           HD1      TRP  83  16.384  -5.387  -0.634
  482    HE1  TRP  83           HE1      TRP  83  15.947  -4.877  -3.126
  483    HE3  TRP  83           HE3      TRP  83  17.702  -0.455  -0.762
  484    HZ2  TRP  83           HZ2      TRP  83  16.145  -2.651  -4.934
  485    HZ3  TRP  83           HZ3      TRP  83  17.577   0.828  -2.874
  486    HH2  TRP  83           HH2      TRP  83  16.816  -0.268  -4.956
  487    H    ILE  84           H        ILE  84  17.916  -6.866   0.884
  488    HA   ILE  84           HA       ILE  84  20.515  -6.524  -0.593
  489    HB   ILE  84           HB       ILE  84  19.712  -8.913   1.094
  490   1HG1  ILE  84          1HG1      ILE  84  21.560  -6.590   1.719
  491   2HG1  ILE  84          2HG1      ILE  84  20.043  -6.958   2.537
  492   1HG2  ILE  84          1HG2      ILE  84  21.357  -9.221  -0.825
  493   2HG2  ILE  84          2HG2      ILE  84  21.979  -9.643   0.766
  494   3HG2  ILE  84          3HG2      ILE  84  22.428  -8.106   0.025
  495   1HD1  ILE  84          1HD1      ILE  84  21.772  -7.840   3.931
  496   2HD1  ILE  84          2HD1      ILE  84  22.596  -8.577   2.557
  497   3HD1  ILE  84          3HD1      ILE  84  21.054  -9.227   3.112
  498    H    LYS  85           H        LYS  85  20.784  -7.817  -2.433
  499    HA   LYS  85           HA       LYS  85  18.275  -9.056  -3.504
  500   1HB   LYS  85          1HB       LYS  85  20.628  -7.659  -4.765
  501   2HB   LYS  85          2HB       LYS  85  19.682  -8.798  -5.721
  502   1HG   LYS  85          1HG       LYS  85  17.662  -7.544  -5.319
  503   2HG   LYS  85          2HG       LYS  85  18.511  -6.483  -4.194
  504   1HD   LYS  85          1HD       LYS  85  19.771  -5.463  -5.912
  505   2HD   LYS  85          2HD       LYS  85  19.412  -6.758  -7.052
  506   1HE   LYS  85          1HE       LYS  85  18.121  -4.491  -7.264
  507   2HE   LYS  85          2HE       LYS  85  17.228  -6.003  -7.428
  508   1HZ   LYS  85          1HZ       LYS  85  16.053  -4.606  -5.928
  509   2HZ   LYS  85          2HZ       LYS  85  17.450  -4.310  -5.005
  510   3HZ   LYS  85          3HZ       LYS  85  16.750  -5.856  -5.018
  511    H    GLY  86           H        GLY  86  18.506 -10.988  -4.782
  512   1HA   GLY  86          1HA       GLY  86  20.597 -12.797  -3.688
  513   2HA   GLY  86          2HA       GLY  86  19.103 -13.304  -4.471
  514    H    ALA  87           H        ALA  87  20.745 -14.699  -5.621
  515    HA   ALA  87           HA       ALA  87  22.561 -13.517  -7.520
  516   1HB   ALA  87          1HB       ALA  87  22.444 -15.909  -8.519
  517   2HB   ALA  87          2HB       ALA  87  21.414 -16.281  -7.135
  518   3HB   ALA  87          3HB       ALA  87  23.069 -15.731  -6.879
  519    H    GLN  88           H        GLN  88  19.175 -13.648  -7.553
  520    HA   GLN  88           HA       GLN  88  19.155 -13.315 -10.539
  521   1HB   GLN  88          1HB       GLN  88  16.946 -14.622  -8.937
  522   2HB   GLN  88          2HB       GLN  88  17.109 -14.550 -10.693
  523   1HG   GLN  88          1HG       GLN  88  19.328 -15.793 -10.390
  524   2HG   GLN  88          2HG       GLN  88  18.816 -16.093  -8.729
  525   1HE2  GLN  88          1HE2      GLN  88  18.994 -18.447  -9.762
  526   2HE2  GLN  88          2HE2      GLN  88  17.555 -19.053 -10.422
  527    H    GLY  89           H        GLY  89  19.272 -11.241  -8.460
  528   1HA   GLY  89          1HA       GLY  89  18.319  -9.100  -8.270
  529   2HA   GLY  89          2HA       GLY  89  17.152  -9.564  -9.495
  530    H    GLY  90           H        GLY  90  16.627 -11.977  -7.496
  531   1HA   GLY  90          1HA       GLY  90  14.187 -11.134  -6.480
  532   2HA   GLY  90          2HA       GLY  90  15.146 -12.402  -5.727
  533    H    ASP  91           H        ASP  91  13.930  -9.284  -5.365
  534    HA   ASP  91           HA       ASP  91  15.923  -8.253  -3.526
  535   1HB   ASP  91          1HB       ASP  91  13.080  -7.429  -4.155
  536   2HB   ASP  91          2HB       ASP  91  14.088  -6.587  -2.996
  537    H    TYR  92           H        TYR  92  16.026  -8.580  -1.362
  538    HA   TYR  92           HA       TYR  92  13.718  -9.904   0.025
  539   1HB   TYR  92          1HB       TYR  92  16.673 -10.543   0.333
  540   2HB   TYR  92          2HB       TYR  92  15.371 -11.251   1.290
  541    HD1  TYR  92           HD1      TYR  92  13.612 -12.657   0.151
  542    HD2  TYR  92           HD2      TYR  92  17.136 -11.306  -1.901
  543    HE1  TYR  92           HE1      TYR  92  13.225 -14.339  -1.625
  544    HE2  TYR  92           HE2      TYR  92  16.746 -12.982  -3.671
  545    HH   TYR  92           HH       TYR  92  15.539 -15.244  -3.831
  546    H    PHE  93           H        PHE  93  13.136  -8.818   1.870
  547    HA   PHE  93           HA       PHE  93  14.910  -6.608   2.791
  548   1HB   PHE  93          1HB       PHE  93  11.959  -7.094   3.322
  549   2HB   PHE  93          2HB       PHE  93  12.877  -5.663   3.759
  550    HD1  PHE  93           HD1      PHE  93  11.030  -7.322   1.140
  551    HD2  PHE  93           HD2      PHE  93  13.955  -4.265   1.897
  552    HE1  PHE  93           HE1      PHE  93  10.632  -6.382  -1.116
  553    HE2  PHE  93           HE2      PHE  93  13.552  -3.332  -0.361
  554    HZ   PHE  93           HZ       PHE  93  11.896  -4.386  -1.868
  555    H    TYR  94           H        TYR  94  16.084  -7.022   4.536
  556    HA   TYR  94           HA       TYR  94  15.142  -9.053   6.530
  557   1HB   TYR  94          1HB       TYR  94  17.797  -8.147   5.499
  558   2HB   TYR  94          2HB       TYR  94  17.741  -8.517   7.220
  559    HD1  TYR  94           HD1      TYR  94  17.344 -10.756   8.022
  560    HD2  TYR  94           HD2      TYR  94  17.331  -9.873   3.820
  561    HE1  TYR  94           HE1      TYR  94  17.442 -13.179   7.504
  562    HE2  TYR  94           HE2      TYR  94  17.431 -12.291   3.309
  563    HH   TYR  94           HH       TYR  94  17.665 -14.715   5.909
  564    H    SER  95           H        SER  95  14.606  -8.345   8.556
  565    HA   SER  95           HA       SER  95  15.337  -5.535   9.334
  566   1HB   SER  95          1HB       SER  95  12.839  -6.114   8.745
  567   2HB   SER  95          2HB       SER  95  12.832  -6.865  10.338
  568    HG   SER  95           HG       SER  95  12.577  -4.936  11.076
  569    H    PHE  96           H        PHE  96  16.278  -5.336  11.297
  570    HA   PHE  96           HA       PHE  96  16.153  -7.616  13.235
  571   1HB   PHE  96          1HB       PHE  96  18.583  -6.097  12.255
  572   2HB   PHE  96          2HB       PHE  96  18.570  -7.005  13.767
  573    HD1  PHE  96           HD1      PHE  96  19.047  -7.211  10.242
  574    HD2  PHE  96           HD2      PHE  96  17.779  -9.475  13.642
  575    HE1  PHE  96           HE1      PHE  96  19.517  -9.300   9.013
  576    HE2  PHE  96           HE2      PHE  96  18.231 -11.581  12.413
  577    HZ   PHE  96           HZ       PHE  96  19.102 -11.493  10.092
  578    H    GLY  97           H        GLY  97  14.608  -6.277  14.361
  579   1HA   GLY  97          1HA       GLY  97  15.144  -4.880  16.547
  580   2HA   GLY  97          2HA       GLY  97  15.540  -3.637  15.360
  581    H    GLY  98           H        GLY  98  13.681  -2.482  16.471
  582   1HA   GLY  98          1HA       GLY  98  11.403  -1.851  16.586
  583   2HA   GLY  98          2HA       GLY  98  11.437  -2.255  14.873
  584    H    CYS  99           H        CYS  99  12.065  -4.821  17.155
  585    HA   CYS  99           HA       CYS  99  10.124  -6.562  16.152
  586   1HB   CYS  99          1HB       CYS  99  10.913  -6.505  19.070
  587   2HB   CYS  99          2HB       CYS  99  10.497  -7.905  18.083
  588    HG   CYS  99           HG       CYS  99  13.188  -6.341  17.894
  589    H    HIS 100           H        HIS 100   9.821  -4.422  19.003
  590    HA   HIS 100           HA       HIS 100   7.071  -5.097  19.491
  591   1HB   HIS 100          1HB       HIS 100   8.820  -2.776  20.315
  592   2HB   HIS 100          2HB       HIS 100   7.120  -2.862  20.777
  593    HD1  HIS 100           HD1      HIS 100  10.177  -5.160  20.914
  594    HD2  HIS 100           HD2      HIS 100   6.756  -4.264  23.119
  595    HE1  HIS 100           HE1      HIS 100  10.285  -6.576  23.014
  596    H    ARG 101           H        ARG 101   8.586  -2.399  17.699
  597    HA   ARG 101           HA       ARG 101   6.183  -1.038  17.073
  598   1HB   ARG 101          1HB       ARG 101   8.464  -0.129  16.653
  599   2HB   ARG 101          2HB       ARG 101   8.653  -1.255  15.317
  600   1HG   ARG 101          1HG       ARG 101   7.147  -0.129  13.955
  601   2HG   ARG 101          2HG       ARG 101   6.202   0.481  15.310
  602   1HD   ARG 101          1HD       ARG 101   7.828   2.085  13.898
  603   2HD   ARG 101          2HD       ARG 101   7.579   2.315  15.629
  604    HE   ARG 101           HE       ARG 101   9.796   0.516  15.002
  605   1HH1  ARG 101          1HH1      ARG 101   8.703   3.754  15.462
  606   2HH1  ARG 101          2HH1      ARG 101  10.262   4.359  15.911
  607   1HH2  ARG 101          1HH2      ARG 101  11.840   1.288  15.588
  608   2HH2  ARG 101          2HH2      ARG 101  12.038   2.963  15.981
  609    H    TYR 102           H        TYR 102   7.533  -3.993  15.753
  610    HA   TYR 102           HA       TYR 102   5.859  -4.048  13.387
  611   1HB   TYR 102          1HB       TYR 102   7.825  -5.423  13.368
  612   2HB   TYR 102          2HB       TYR 102   7.397  -6.178  14.898
  613    HD1  TYR 102           HD1      TYR 102   6.840  -6.190  11.276
  614    HD2  TYR 102           HD2      TYR 102   5.520  -7.760  15.045
  615    HE1  TYR 102           HE1      TYR 102   5.622  -8.002  10.098
  616    HE2  TYR 102           HE2      TYR 102   4.293  -9.560  13.873
  617    HH   TYR 102           HH       TYR 102   3.481  -9.501  10.754
  618    H    ALA 103           H        ALA 103   5.610  -5.451  16.656
  619    HA   ALA 103           HA       ALA 103   3.159  -6.855  16.272
  620   1HB   ALA 103          1HB       ALA 103   3.026  -6.973  18.645
  621   2HB   ALA 103          2HB       ALA 103   3.955  -5.487  18.848
  622   3HB   ALA 103          3HB       ALA 103   4.752  -6.956  18.283
  623    H    ALA 104           H        ALA 104   3.803  -3.484  17.210
  624    HA   ALA 104           HA       ALA 104   1.076  -2.814  17.752
  625   1HB   ALA 104          1HB       ALA 104   2.708  -1.277  18.537
  626   2HB   ALA 104          2HB       ALA 104   1.902  -0.430  17.216
  627   3HB   ALA 104          3HB       ALA 104   3.482  -1.169  16.956
  628    H    TYR 105           H        TYR 105   3.041  -2.398  14.792
  629    HA   TYR 105           HA       TYR 105   0.889  -1.351  13.212
  630   1HB   TYR 105          1HB       TYR 105   3.643  -2.354  12.779
  631   2HB   TYR 105          2HB       TYR 105   2.581  -2.638  11.410
  632    HD1  TYR 105           HD1      TYR 105   1.527  -0.776  10.212
  633    HD2  TYR 105           HD2      TYR 105   4.279  -0.094  13.436
  634    HE1  TYR 105           HE1      TYR 105   1.764   1.584   9.502
  635    HE2  TYR 105           HE2      TYR 105   4.531   2.269  12.710
  636    HH   TYR 105           HH       TYR 105   2.607   3.905  11.088
  637    H    GLN 106           H        GLN 106   2.145  -4.648  13.698
  638    HA   GLN 106           HA       GLN 106   0.408  -5.962  11.875
  639   1HB   GLN 106          1HB       GLN 106   2.458  -6.915  13.059
  640   2HB   GLN 106          2HB       GLN 106   1.437  -7.108  14.482
  641   1HG   GLN 106          1HG       GLN 106   0.635  -8.246  11.804
  642   2HG   GLN 106          2HG       GLN 106   1.676  -9.143  12.900
  643   1HE2  GLN 106          1HE2      GLN 106   0.710  -9.682  15.105
  644   2HE2  GLN 106          2HE2      GLN 106  -0.975  -9.759  15.260
  645    H    GLN 107           H        GLN 107   0.072  -5.299  15.360
  646    HA   GLN 107           HA       GLN 107  -2.419  -6.584  15.759
  647   1HB   GLN 107          1HB       GLN 107  -1.071  -5.795  17.631
  648   2HB   GLN 107          2HB       GLN 107  -1.266  -4.124  17.106
  649   1HG   GLN 107          1HG       GLN 107  -3.529  -4.051  17.719
  650   2HG   GLN 107          2HG       GLN 107  -3.703  -5.803  17.665
  651   1HE2  GLN 107          1HE2      GLN 107  -4.398  -6.111  19.849
  652   2HE2  GLN 107          2HE2      GLN 107  -3.416  -5.756  21.188
  653    H    LEU 108           H        LEU 108  -1.695  -3.280  14.643
  654    HA   LEU 108           HA       LEU 108  -4.484  -2.490  14.571
  655   1HB   LEU 108          1HB       LEU 108  -2.006  -1.333  13.271
  656   2HB   LEU 108          2HB       LEU 108  -3.595  -0.574  13.184
  657    HG   LEU 108           HG       LEU 108  -2.196  -1.286  15.784
  658   1HD1  LEU 108          1HD1      LEU 108  -2.493   1.490  14.628
  659   2HD1  LEU 108          2HD1      LEU 108  -1.061   0.505  14.331
  660   3HD1  LEU 108          3HD1      LEU 108  -1.482   0.972  15.979
  661   1HD2  LEU 108          1HD2      LEU 108  -4.413  -1.083  16.406
  662   2HD2  LEU 108          2HD2      LEU 108  -4.814  -0.006  15.070
  663   3HD2  LEU 108          3HD2      LEU 108  -3.959   0.615  16.477
  664    H    GLN 109           H        GLN 109  -3.218  -4.899  12.954
  665    HA   GLN 109           HA       GLN 109  -3.538  -5.876  10.836
  666   1HB   GLN 109          1HB       GLN 109  -5.850  -5.745  11.979
  667   2HB   GLN 109          2HB       GLN 109  -6.179  -4.411  10.875
  668   1HG   GLN 109          1HG       GLN 109  -5.768  -5.852   8.948
  669   2HG   GLN 109          2HG       GLN 109  -5.289  -7.180  10.005
  670   1HE2  GLN 109          1HE2      GLN 109  -7.642  -5.895  11.806
  671   2HE2  GLN 109          2HE2      GLN 109  -9.004  -6.688  11.182
  672    H    ARG 110           H        ARG 110  -2.015  -3.568  10.544
  673    HA   ARG 110           HA       ARG 110  -3.217  -1.913   8.422
  674   1HB   ARG 110          1HB       ARG 110  -0.494  -1.959   9.739
  675   2HB   ARG 110          2HB       ARG 110  -0.906  -0.857   8.430
  676   1HG   ARG 110          1HG       ARG 110  -2.647  -1.022  10.900
  677   2HG   ARG 110          2HG       ARG 110  -1.186  -0.043  10.911
  678   1HD   ARG 110          1HD       ARG 110  -2.055   1.107   8.817
  679   2HD   ARG 110          2HD       ARG 110  -3.583   0.268   9.084
  680    HE   ARG 110           HE       ARG 110  -4.011   1.715  10.906
  681   1HH1  ARG 110          1HH1      ARG 110  -0.742   1.870   9.823
  682   2HH1  ARG 110          2HH1      ARG 110  -0.345   3.247  10.795
  683   1HH2  ARG 110          1HH2      ARG 110  -3.512   3.513  12.182
  684   2HH2  ARG 110          2HH2      ARG 110  -1.914   4.177  12.130
  685    H    GLU 111           H        GLU 111  -2.130  -1.726   6.318
  686    HA   GLU 111           HA       GLU 111  -1.507  -4.390   5.267
  687   1HB   GLU 111          1HB       GLU 111  -1.989  -1.676   4.067
  688   2HB   GLU 111          2HB       GLU 111  -1.251  -2.939   3.081
  689   1HG   GLU 111          1HG       GLU 111  -3.801  -3.405   4.641
  690   2HG   GLU 111          2HG       GLU 111  -3.806  -2.777   2.997
  691    H    THR 112           H        THR 112   0.285  -1.298   5.647
  692    HA   THR 112           HA       THR 112   2.821  -2.867   5.198
  693    HB   THR 112           HB       THR 112   3.705  -0.807   4.053
  694    HG1  THR 112           HG1      THR 112   2.115   0.666   3.331
  695   1HG2  THR 112          1HG2      THR 112   3.212  -2.090   2.247
  696   2HG2  THR 112          2HG2      THR 112   1.694  -1.209   2.137
  697   3HG2  THR 112          3HG2      THR 112   1.760  -2.736   3.015
  698    H    ILE 113           H        ILE 113   4.757  -1.359   5.838
  699    HA   ILE 113           HA       ILE 113   4.085   0.269   8.247
  700    HB   ILE 113           HB       ILE 113   4.686  -2.070   8.945
  701   1HG1  ILE 113          1HG1      ILE 113   6.695   0.050   9.747
  702   2HG1  ILE 113          2HG1      ILE 113   5.041  -0.013  10.349
  703   1HG2  ILE 113          1HG2      ILE 113   6.901  -2.894   8.637
  704   2HG2  ILE 113          2HG2      ILE 113   7.490  -1.330   8.082
  705   3HG2  ILE 113          3HG2      ILE 113   6.426  -2.284   7.052
  706   1HD1  ILE 113          1HD1      ILE 113   6.327  -1.138  12.002
  707   2HD1  ILE 113          2HD1      ILE 113   7.278  -1.997  10.791
  708   3HD1  ILE 113          3HD1      ILE 113   5.592  -2.436  11.063
  709    HA   PRO 114           HA       PRO 114   7.239   2.841   6.296
  710   1HB   PRO 114          1HB       PRO 114   7.736   4.136   8.923
  711   2HB   PRO 114          2HB       PRO 114   7.128   4.852   7.420
  712   1HG   PRO 114          1HG       PRO 114   5.561   4.469   9.583
  713   2HG   PRO 114          2HG       PRO 114   4.938   4.364   7.929
  714   1HD   PRO 114          1HD       PRO 114   5.649   2.141   9.831
  715   2HD   PRO 114          2HD       PRO 114   4.287   2.278   8.710
  716    H    ALA 115           H        ALA 115   9.369   2.341   5.958
  717    HA   ALA 115           HA       ALA 115  11.127   1.633   8.217
  718   1HB   ALA 115          1HB       ALA 115  11.767  -0.533   7.294
  719   2HB   ALA 115          2HB       ALA 115  10.665  -0.312   5.935
  720   3HB   ALA 115          3HB       ALA 115  10.024  -0.515   7.566
  721    H    LYS 116           H        LYS 116  13.181   2.315   7.793
  722    HA   LYS 116           HA       LYS 116  13.690   3.676   5.267
  723   1HB   LYS 116          1HB       LYS 116  14.586   4.157   7.753
  724   2HB   LYS 116          2HB       LYS 116  15.913   3.135   7.222
  725   1HG   LYS 116          1HG       LYS 116  14.902   5.612   5.802
  726   2HG   LYS 116          2HG       LYS 116  16.370   5.522   6.774
  727   1HD   LYS 116          1HD       LYS 116  17.108   3.635   5.203
  728   2HD   LYS 116          2HD       LYS 116  15.782   4.132   4.153
  729   1HE   LYS 116          1HE       LYS 116  18.267   5.650   4.910
  730   2HE   LYS 116          2HE       LYS 116  17.564   5.398   3.312
  731   1HZ   LYS 116          1HZ       LYS 116  16.861   7.500   3.670
  732   2HZ   LYS 116          2HZ       LYS 116  16.873   7.350   5.362
  733   3HZ   LYS 116          3HZ       LYS 116  15.587   6.704   4.458
  734    H    LEU 117           H        LEU 117  14.398   2.630   3.485
  735    HA   LEU 117           HA       LEU 117  15.417  -0.113   3.683
  736   1HB   LEU 117          1HB       LEU 117  15.313   1.696   1.250
  737   2HB   LEU 117          2HB       LEU 117  15.554  -0.048   1.246
  738    HG   LEU 117           HG       LEU 117  13.053   1.434   2.125
  739   1HD1  LEU 117          1HD1      LEU 117  13.779  -0.309  -0.237
  740   2HD1  LEU 117          2HD1      LEU 117  13.096   1.314  -0.251
  741   3HD1  LEU 117          3HD1      LEU 117  12.101  -0.059   0.244
  742   1HD2  LEU 117          1HD2      LEU 117  13.112  -0.413   3.586
  743   2HD2  LEU 117          2HD2      LEU 117  13.883  -1.455   2.388
  744   3HD2  LEU 117          3HD2      LEU 117  12.181  -1.026   2.222
  745    H    VAL 118           H        VAL 118  17.513  -0.769   3.505
  746    HA   VAL 118           HA       VAL 118  19.622   1.293   3.004
  747    HB   VAL 118           HB       VAL 118  19.463  -0.720   5.266
  748   1HG1  VAL 118          1HG1      VAL 118  21.780   0.940   4.256
  749   2HG1  VAL 118          2HG1      VAL 118  21.723  -0.809   4.482
  750   3HG1  VAL 118          3HG1      VAL 118  21.723   0.262   5.883
  751   1HG2  VAL 118          1HG2      VAL 118  19.944   2.263   5.376
  752   2HG2  VAL 118          2HG2      VAL 118  19.502   1.187   6.700
  753   3HG2  VAL 118          3HG2      VAL 118  18.326   1.564   5.442
  754    H    GLN 119           H        GLN 119  20.286   0.509   1.011
  755    HA   GLN 119           HA       GLN 119  20.335  -2.219   0.249
  756   1HB   GLN 119          1HB       GLN 119  20.568  -0.342  -1.366
  757   2HB   GLN 119          2HB       GLN 119  22.152   0.027  -0.702
  758   1HG   GLN 119          1HG       GLN 119  22.097  -1.354  -2.858
  759   2HG   GLN 119          2HG       GLN 119  23.096  -1.981  -1.554
  760   1HE2  GLN 119          1HE2      GLN 119  22.451  -3.986  -0.595
  761   2HE2  GLN 119          2HE2      GLN 119  21.164  -4.914  -1.189
  762    H    SER 120           H        SER 120  21.597  -3.860   0.975
  763    HA   SER 120           HA       SER 120  24.297  -3.223   2.124
  764   1HB   SER 120          1HB       SER 120  22.068  -4.905   3.255
  765   2HB   SER 120          2HB       SER 120  23.735  -5.212   3.712
  766    HG   SER 120           HG       SER 120  23.429  -3.666   5.082
  767    H    THR 121           H        THR 121  25.417  -5.533   2.487
  768    HA   THR 121           HA       THR 121  25.114  -7.078  -0.070
  769    HB   THR 121           HB       THR 121  27.590  -7.607   0.337
  770    HG1  THR 121           HG1      THR 121  27.438  -5.279   1.928
  771   1HG2  THR 121          1HG2      THR 121  26.961  -6.094  -1.428
  772   2HG2  THR 121          2HG2      THR 121  28.300  -5.352  -0.553
  773   3HG2  THR 121          3HG2      THR 121  26.649  -4.796  -0.276
  774    H    LEU 122           H        LEU 122  25.708  -9.381   0.117
  775    HA   LEU 122           HA       LEU 122  24.393 -10.684   2.242
  776   1HB   LEU 122          1HB       LEU 122  25.021 -11.749   0.042
  777   2HB   LEU 122          2HB       LEU 122  26.679 -11.853   0.627
  778    HG   LEU 122           HG       LEU 122  25.830 -13.186   2.592
  779   1HD1  LEU 122          1HD1      LEU 122  23.242 -12.772   1.114
  780   2HD1  LEU 122          2HD1      LEU 122  23.553 -12.766   2.848
  781   3HD1  LEU 122          3HD1      LEU 122  23.491 -14.290   1.974
  782   1HD2  LEU 122          1HD2      LEU 122  25.291 -15.245   1.159
  783   2HD2  LEU 122          2HD2      LEU 122  26.816 -14.425   0.811
  784   3HD2  LEU 122          3HD2      LEU 122  25.419 -14.172  -0.236
  785    H    SER 123           H        SER 123  27.785  -9.684   1.995
  786    HA   SER 123           HA       SER 123  28.866 -11.127   4.163
  787   1HB   SER 123          1HB       SER 123  29.458  -8.287   3.272
  788   2HB   SER 123          2HB       SER 123  30.463  -9.219   4.383
  789    HG   SER 123           HG       SER 123  30.955  -9.233   2.005
  790    H    ASP 124           H        ASP 124  27.204  -7.952   4.208
  791    HA   ASP 124           HA       ASP 124  27.402  -7.464   6.985
  792   1HB   ASP 124          1HB       ASP 124  26.528  -5.761   5.487
  793   2HB   ASP 124          2HB       ASP 124  25.159  -6.782   5.056
  794    H    LEU 125           H        LEU 125  24.973  -9.352   5.168
  795    HA   LEU 125           HA       LEU 125  23.335  -9.966   7.407
  796   1HB   LEU 125          1HB       LEU 125  23.063 -10.457   4.796
  797   2HB   LEU 125          2HB       LEU 125  23.737 -12.017   5.247
  798    HG   LEU 125           HG       LEU 125  21.953 -12.148   7.055
  799   1HD1  LEU 125          1HD1      LEU 125  21.062 -10.025   7.395
  800   2HD1  LEU 125          2HD1      LEU 125  19.869 -10.676   6.282
  801   3HD1  LEU 125          3HD1      LEU 125  21.128  -9.598   5.689
  802   1HD2  LEU 125          1HD2      LEU 125  20.204 -12.843   5.461
  803   2HD2  LEU 125          2HD2      LEU 125  21.798 -13.379   4.933
  804   3HD2  LEU 125          3HD2      LEU 125  21.041 -11.981   4.170
  805    H    ARG 126           H        ARG 126  26.266 -11.514   6.160
  806    HA   ARG 126           HA       ARG 126  26.302 -13.818   7.834
  807   1HB   ARG 126          1HB       ARG 126  27.906 -13.243   5.930
  808   2HB   ARG 126          2HB       ARG 126  28.729 -12.169   7.060
  809   1HG   ARG 126          1HG       ARG 126  28.852 -14.244   8.616
  810   2HG   ARG 126          2HG       ARG 126  28.471 -15.174   7.166
  811   1HD   ARG 126          1HD       ARG 126  30.416 -13.928   6.048
  812   2HD   ARG 126          2HD       ARG 126  30.874 -13.413   7.672
  813    HE   ARG 126           HE       ARG 126  30.550 -16.206   7.798
  814   1HH1  ARG 126          1HH1      ARG 126  32.444 -13.857   6.129
  815   2HH1  ARG 126          2HH1      ARG 126  33.822 -14.893   5.962
  816   1HH2  ARG 126          1HH2      ARG 126  32.339 -17.572   7.589
  817   2HH2  ARG 126          2HH2      ARG 126  33.763 -16.996   6.788
  818    H    VAL 127           H        VAL 127  27.226 -10.460   8.504
  819    HA   VAL 127           HA       VAL 127  28.500 -10.909  11.011
  820    HB   VAL 127           HB       VAL 127  26.821  -8.536  10.137
  821   1HG1  VAL 127          1HG1      VAL 127  27.093  -8.516  12.540
  822   2HG1  VAL 127          2HG1      VAL 127  28.233  -7.354  11.862
  823   3HG1  VAL 127          3HG1      VAL 127  28.799  -8.936  12.395
  824   1HG2  VAL 127          1HG2      VAL 127  28.967  -7.542   9.519
  825   2HG2  VAL 127          2HG2      VAL 127  28.770  -9.073   8.667
  826   3HG2  VAL 127          3HG2      VAL 127  29.821  -8.980  10.078
  827    H    TYR 128           H        TYR 128  25.100 -10.716  10.057
  828    HA   TYR 128           HA       TYR 128  24.201 -10.882  12.884
  829   1HB   TYR 128          1HB       TYR 128  22.669 -10.849  10.272
  830   2HB   TYR 128          2HB       TYR 128  21.919 -10.924  11.864
  831    HD1  TYR 128           HD1      TYR 128  22.137  -9.027  13.453
  832    HD2  TYR 128           HD2      TYR 128  23.606  -8.813   9.427
  833    HE1  TYR 128           HE1      TYR 128  22.250  -6.557  13.627
  834    HE2  TYR 128           HE2      TYR 128  23.722  -6.344   9.598
  835    HH   TYR 128           HH       TYR 128  22.879  -4.547  10.853
  836    H    LEU 129           H        LEU 129  23.916 -12.868   9.929
  837    HA   LEU 129           HA       LEU 129  23.261 -15.242  11.634
  838   1HB   LEU 129          1HB       LEU 129  22.617 -14.657   8.735
  839   2HB   LEU 129          2HB       LEU 129  22.158 -16.110   9.612
  840    HG   LEU 129           HG       LEU 129  21.239 -13.279  10.188
  841   1HD1  LEU 129          1HD1      LEU 129  20.033 -14.124   8.328
  842   2HD1  LEU 129          2HD1      LEU 129  18.982 -14.436   9.709
  843   3HD1  LEU 129          3HD1      LEU 129  19.938 -15.746   9.015
  844   1HD2  LEU 129          1HD2      LEU 129  21.298 -14.219  12.333
  845   2HD2  LEU 129          2HD2      LEU 129  20.952 -15.846  11.742
  846   3HD2  LEU 129          3HD2      LEU 129  19.669 -14.637  11.807
  847    H    GLY 130           H        GLY 130  25.971 -14.558  11.247
  848   1HA   GLY 130          1HA       GLY 130  27.150 -15.803   8.968
  849   2HA   GLY 130          2HA       GLY 130  27.987 -15.473  10.481
  850    H    ALA 131           H        ALA 131  25.120 -17.570  10.068
  851    HA   ALA 131           HA       ALA 131  26.754 -19.998  10.291
  852   1HB   ALA 131          1HB       ALA 131  25.039 -18.973  12.557
  853   2HB   ALA 131          2HB       ALA 131  26.702 -19.555  12.617
  854   3HB   ALA 131          3HB       ALA 131  25.378 -20.694  12.370
  855    H    SER 132           H        SER 132  23.407 -18.776  10.730
  856    HA   SER 132           HA       SER 132  22.408 -21.124   9.176
  857   1HB   SER 132          1HB       SER 132  21.411 -20.417  11.442
  858   2HB   SER 132          2HB       SER 132  20.731 -19.036  10.582
  859    HG   SER 132           HG       SER 132  20.337 -21.777   9.971
  860    H    THR 133           H        THR 133  23.822 -18.984   7.825
  861    HA   THR 133           HA       THR 133  21.866 -17.214   6.623
  862    HB   THR 133           HB       THR 133  24.396 -17.617   5.129
  863    HG1  THR 133           HG1      THR 133  24.902 -16.395   7.503
  864   1HG2  THR 133          1HG2      THR 133  24.463 -15.273   5.132
  865   2HG2  THR 133          2HG2      THR 133  23.548 -15.153   6.636
  866   3HG2  THR 133          3HG2      THR 133  22.732 -15.614   5.143
  867    HA   PRO 134           HA       PRO 134  20.805 -20.463   3.586
  868   1HB   PRO 134          1HB       PRO 134  18.601 -19.312   2.517
  869   2HB   PRO 134          2HB       PRO 134  18.584 -20.028   4.137
  870   1HG   PRO 134          1HG       PRO 134  18.800 -17.157   3.332
  871   2HG   PRO 134          2HG       PRO 134  17.863 -17.886   4.647
  872   1HD   PRO 134          1HD       PRO 134  20.337 -16.659   4.982
  873   2HD   PRO 134          2HD       PRO 134  19.677 -17.871   6.095
  874    H    ASP 135           H        ASP 135  20.056 -20.145   1.079
  875    HA   ASP 135           HA       ASP 135  22.092 -18.331  -0.140
  876   1HB   ASP 135          1HB       ASP 135  22.142 -20.845  -0.559
  877   2HB   ASP 135          2HB       ASP 135  20.657 -20.634  -1.479
  878    H    LEU 136           H        LEU 136  21.375 -16.648  -1.238
  879    HA   LEU 136           HA       LEU 136  18.468 -16.307  -1.704
  880   1HB   LEU 136          1HB       LEU 136  20.797 -14.394  -2.021
  881   2HB   LEU 136          2HB       LEU 136  19.105 -13.966  -2.259
  882    HG   LEU 136           HG       LEU 136  20.283 -15.026   0.326
  883   1HD1  LEU 136          1HD1      LEU 136  20.180 -12.783   1.144
  884   2HD1  LEU 136          2HD1      LEU 136  19.255 -12.239  -0.254
  885   3HD1  LEU 136          3HD1      LEU 136  20.954 -12.671  -0.437
  886   1HD2  LEU 136          1HD2      LEU 136  18.032 -15.635   0.445
  887   2HD2  LEU 136          2HD2      LEU 136  17.505 -14.288  -0.573
  888   3HD2  LEU 136          3HD2      LEU 136  17.965 -14.003   1.103
  889    H    GLN 137           H        GLN 137  17.543 -16.171  -3.700
  890    HA   GLN 137           HA       GLN 137  19.302 -16.433  -6.113
  891   1HB   GLN 137          1HB       GLN 137  16.608 -17.781  -5.850
  892   2HB   GLN 137          2HB       GLN 137  17.891 -18.111  -7.012
  893   1HG   GLN 137          1HG       GLN 137  17.950 -18.672  -4.035
  894   2HG   GLN 137          2HG       GLN 137  17.887 -19.867  -5.330
  895   1HE2  GLN 137          1HE2      GLN 137  20.065 -18.786  -3.173
  896   2HE2  GLN 137          2HE2      GLN 137  21.478 -18.816  -4.103
  897   1H5*  ATP   1          1H5*      ATP   1   9.228   1.383  19.188
  898   2H5*  ATP   1          2H5*      ATP   1  10.363   1.136  20.469
  899    H4*  ATP   1           H4*      ATP   1  10.838   3.416  18.495
  900    H3*  ATP   1           H3*      ATP   1  11.836   2.788  21.233
  901   *HO3  ATP   1          *HO3      ATP   1  12.972   3.538  19.385
  902    H2*  ATP   1           H2*      ATP   1  10.342   4.161  22.328
  903   *HO2  ATP   1          *HO2      ATP   1  12.237   5.559  21.036
  904    H1*  ATP   1           H1*      ATP   1   9.840   5.700  19.725
  905    H8   ATP   1           H8       ATP   1   7.930   7.316  20.198
  906    H2   ATP   1           H2       ATP   1   7.113   2.296  24.146
  907   1HN6  ATP   1          1HN6      ATP   1   3.871   5.380  24.506
  908   2HN6  ATP   1          2HN6      ATP   1   4.002   6.367  23.075
  Start of MODEL    3
    1   1H    GLY  17          1H        GLY  17   0.691  -9.995 -46.519
    2   2H    GLY  17          2H        GLY  17  -0.915  -9.963 -45.964
    3   3H    GLY  17          3H        GLY  17  -0.030 -11.413 -45.932
    4   1HA   GLY  17          1HA       GLY  17  -0.190 -10.449 -43.719
    5   2HA   GLY  17          2HA       GLY  17   1.478 -10.503 -44.289
    6    H    ALA  18           H        ALA  18   1.590  -8.710 -42.568
    7    HA   ALA  18           HA       ALA  18   1.612  -6.147 -43.952
    8   1HB   ALA  18          1HB       ALA  18  -0.645  -5.899 -43.353
    9   2HB   ALA  18          2HB       ALA  18   0.178  -5.121 -42.001
   10   3HB   ALA  18          3HB       ALA  18  -0.435  -6.765 -41.832
   11    HA   PRO  19           HA       PRO  19   4.900  -5.658 -40.999
   12   1HB   PRO  19          1HB       PRO  19   5.196  -2.945 -40.931
   13   2HB   PRO  19          2HB       PRO  19   5.642  -3.917 -42.347
   14   1HG   PRO  19          1HG       PRO  19   3.150  -2.332 -41.849
   15   2HG   PRO  19          2HG       PRO  19   4.150  -2.416 -43.309
   16   1HD   PRO  19          1HD       PRO  19   1.831  -3.844 -43.031
   17   2HD   PRO  19          2HD       PRO  19   3.202  -4.436 -43.991
   18    H    GLU  20           H        GLU  20   5.444  -4.341 -38.903
   19    HA   GLU  20           HA       GLU  20   3.221  -3.242 -37.399
   20   1HB   GLU  20          1HB       GLU  20   3.460  -5.150 -35.612
   21   2HB   GLU  20          2HB       GLU  20   2.436  -5.420 -37.021
   22   1HG   GLU  20          1HG       GLU  20   4.100  -6.726 -38.113
   23   2HG   GLU  20          2HG       GLU  20   5.358  -6.194 -36.999
   24    H    GLY  21           H        GLY  21   5.382  -5.146 -35.529
   25   1HA   GLY  21          1HA       GLY  21   7.477  -3.086 -35.373
   26   2HA   GLY  21          2HA       GLY  21   6.466  -3.226 -33.936
   27    HA   PRO  22           HA       PRO  22   8.732  -7.416 -34.229
   28   1HB   PRO  22          1HB       PRO  22  10.354  -7.967 -36.317
   29   2HB   PRO  22          2HB       PRO  22   8.590  -8.111 -36.449
   30   1HG   PRO  22          1HG       PRO  22  10.392  -5.919 -37.397
   31   2HG   PRO  22          2HG       PRO  22   8.994  -6.649 -38.202
   32   1HD   PRO  22          1HD       PRO  22   8.925  -4.242 -36.780
   33   2HD   PRO  22          2HD       PRO  22   7.501  -5.251 -37.109
   34    H    GLY  23           H        GLY  23  11.021  -8.213 -33.786
   35   1HA   GLY  23          1HA       GLY  23  13.398  -6.849 -34.013
   36   2HA   GLY  23          2HA       GLY  23  12.606  -6.028 -32.668
   37    HA   PRO  24           HA       PRO  24  15.258  -9.619 -31.098
   38   1HB   PRO  24          1HB       PRO  24  15.153  -7.623 -28.849
   39   2HB   PRO  24          2HB       PRO  24  16.503  -8.645 -29.382
   40   1HG   PRO  24          1HG       PRO  24  16.413  -6.065 -30.023
   41   2HG   PRO  24          2HG       PRO  24  16.992  -7.270 -31.187
   42   1HD   PRO  24          1HD       PRO  24  14.383  -5.791 -31.136
   43   2HD   PRO  24          2HD       PRO  24  15.313  -6.383 -32.529
   44    H    SER  25           H        SER  25  14.043 -11.315 -30.370
   45    HA   SER  25           HA       SER  25  11.500 -10.876 -29.004
   46   1HB   SER  25          1HB       SER  25  13.051 -13.415 -29.597
   47   2HB   SER  25          2HB       SER  25  11.418 -13.369 -28.932
   48    HG   SER  25           HG       SER  25  12.101 -12.040 -31.325
   49    H    GLY  26           H        GLY  26  14.784 -11.376 -28.055
   50   1HA   GLY  26          1HA       GLY  26  14.221 -12.488 -25.432
   51   2HA   GLY  26          2HA       GLY  26  15.760 -11.800 -25.952
   52    H    GLY  27           H        GLY  27  12.827 -11.203 -24.234
   53   1HA   GLY  27          1HA       GLY  27  13.102  -8.299 -24.167
   54   2HA   GLY  27          2HA       GLY  27  11.997  -9.256 -23.180
   55    H    ALA  28           H        ALA  28  15.217  -7.896 -23.376
   56    HA   ALA  28           HA       ALA  28  16.132  -9.111 -20.882
   57   1HB   ALA  28          1HB       ALA  28  18.048  -7.548 -21.125
   58   2HB   ALA  28          2HB       ALA  28  17.230  -6.780 -22.486
   59   3HB   ALA  28          3HB       ALA  28  17.754  -8.460 -22.606
   60    H    GLN  29           H        GLN  29  15.315  -5.749 -21.831
   61    HA   GLN  29           HA       GLN  29  15.269  -4.847 -19.074
   62   1HB   GLN  29          1HB       GLN  29  14.192  -2.792 -20.092
   63   2HB   GLN  29          2HB       GLN  29  15.754  -3.223 -20.788
   64   1HG   GLN  29          1HG       GLN  29  14.691  -4.266 -22.693
   65   2HG   GLN  29          2HG       GLN  29  13.097  -4.090 -21.959
   66   1HE2  GLN  29          1HE2      GLN  29  15.134  -1.389 -21.347
   67   2HE2  GLN  29          2HE2      GLN  29  14.500  -0.353 -22.533
   68    H    GLY  30           H        GLY  30  13.271  -3.977 -18.032
   69   1HA   GLY  30          1HA       GLY  30  10.644  -4.608 -18.938
   70   2HA   GLY  30          2HA       GLY  30  11.201  -5.921 -17.901
   71    H    GLY  31           H        GLY  31   9.453  -5.217 -16.419
   72   1HA   GLY  31          1HA       GLY  31   8.663  -4.035 -14.550
   73   2HA   GLY  31          2HA       GLY  31  10.369  -3.746 -14.206
   74    H    SER  32           H        SER  32  10.044  -1.578 -13.527
   75    HA   SER  32           HA       SER  32   8.616   0.337 -15.183
   76   1HB   SER  32          1HB       SER  32   9.642   2.017 -13.619
   77   2HB   SER  32          2HB       SER  32   8.765   0.730 -12.792
   78    HG   SER  32           HG       SER  32  11.536   1.126 -13.048
   79    H    ILE  33           H        ILE  33   9.568   2.031 -16.443
   80    HA   ILE  33           HA       ILE  33  11.917   1.254 -17.920
   81    HB   ILE  33           HB       ILE  33  10.572   3.971 -17.803
   82   1HG1  ILE  33          1HG1      ILE  33  10.090   1.682 -19.734
   83   2HG1  ILE  33          2HG1      ILE  33   9.046   2.037 -18.358
   84   1HG2  ILE  33          1HG2      ILE  33  12.777   4.031 -18.858
   85   2HG2  ILE  33          2HG2      ILE  33  11.530   4.182 -20.096
   86   3HG2  ILE  33          3HG2      ILE  33  12.360   2.643 -19.863
   87   1HD1  ILE  33          1HD1      ILE  33   8.684   4.328 -19.256
   88   2HD1  ILE  33          2HD1      ILE  33   8.141   3.084 -20.383
   89   3HD1  ILE  33          3HD1      ILE  33   9.672   3.916 -20.657
   90    H    HIS  34           H        HIS  34  11.338   3.934 -15.613
   91    HA   HIS  34           HA       HIS  34  14.160   4.636 -15.532
   92   1HB   HIS  34          1HB       HIS  34  11.780   5.425 -13.837
   93   2HB   HIS  34          2HB       HIS  34  13.407   6.037 -13.542
   94    HD1  HIS  34           HD1      HIS  34  11.912   8.337 -14.207
   95    HD2  HIS  34           HD2      HIS  34  13.031   5.756 -17.284
   96    HE1  HIS  34           HE1      HIS  34  11.747   9.669 -16.355
   97    H    SER  35           H        SER  35  15.627   4.208 -13.818
   98    HA   SER  35           HA       SER  35  14.807   2.582 -11.533
   99   1HB   SER  35          1HB       SER  35  16.318   0.676 -12.112
  100   2HB   SER  35          2HB       SER  35  14.953   0.823 -13.220
  101    HG   SER  35           HG       SER  35  17.661   1.392 -13.623
  102    H    GLY  36           H        GLY  36  16.090   3.241  -9.879
  103   1HA   GLY  36          1HA       GLY  36  18.960   3.628 -10.235
  104   2HA   GLY  36          2HA       GLY  36  18.088   5.139  -9.976
  105    H    ARG  37           H        ARG  37  19.981   4.239  -8.112
  106    HA   ARG  37           HA       ARG  37  18.767   2.748  -5.957
  107   1HB   ARG  37          1HB       ARG  37  21.203   2.911  -6.167
  108   2HB   ARG  37          2HB       ARG  37  21.123   4.660  -5.955
  109   1HG   ARG  37          1HG       ARG  37  20.331   4.429  -3.695
  110   2HG   ARG  37          2HG       ARG  37  20.087   2.694  -3.897
  111   1HD   ARG  37          1HD       ARG  37  22.158   3.028  -2.680
  112   2HD   ARG  37          2HD       ARG  37  22.559   2.463  -4.301
  113    HE   ARG  37           HE       ARG  37  22.516   5.364  -4.130
  114   1HH1  ARG  37          1HH1      ARG  37  24.306   2.477  -3.538
  115   2HH1  ARG  37          2HH1      ARG  37  25.850   3.250  -3.664
  116   1HH2  ARG  37          1HH2      ARG  37  24.523   6.391  -4.298
  117   2HH2  ARG  37          2HH2      ARG  37  25.974   5.466  -4.094
  118    H    ILE  38           H        ILE  38  17.619   3.501  -4.184
  119    HA   ILE  38           HA       ILE  38  17.341   6.443  -3.795
  120    HB   ILE  38           HB       ILE  38  14.969   4.561  -4.094
  121   1HG1  ILE  38          1HG1      ILE  38  16.148   6.678  -5.909
  122   2HG1  ILE  38          2HG1      ILE  38  15.957   4.961  -6.260
  123   1HG2  ILE  38          1HG2      ILE  38  14.967   7.588  -3.889
  124   2HG2  ILE  38          2HG2      ILE  38  14.754   6.547  -2.482
  125   3HG2  ILE  38          3HG2      ILE  38  13.586   6.498  -3.797
  126   1HD1  ILE  38          1HD1      ILE  38  14.143   5.995  -7.385
  127   2HD1  ILE  38          2HD1      ILE  38  13.805   7.068  -6.027
  128   3HD1  ILE  38          3HD1      ILE  38  13.432   5.348  -5.906
  129    H    ALA  39           H        ALA  39  18.337   6.327  -1.803
  130    HA   ALA  39           HA       ALA  39  17.390   4.348   0.198
  131   1HB   ALA  39          1HB       ALA  39  19.759   4.609   0.185
  132   2HB   ALA  39          2HB       ALA  39  19.200   5.485   1.611
  133   3HB   ALA  39          3HB       ALA  39  19.640   6.369   0.150
  134    H    ALA  40           H        ALA  40  15.264   5.206   0.556
  135    HA   ALA  40           HA       ALA  40  15.238   7.550   2.379
  136   1HB   ALA  40          1HB       ALA  40  13.692   8.803   1.146
  137   2HB   ALA  40          2HB       ALA  40  13.151   7.410   0.210
  138   3HB   ALA  40          3HB       ALA  40  14.714   8.146  -0.129
  139    H    VAL  41           H        VAL  41  12.653   7.774   2.964
  140    HA   VAL  41           HA       VAL  41  12.053   5.304   4.377
  141    HB   VAL  41           HB       VAL  41  10.437   7.847   4.041
  142   1HG1  VAL  41          1HG1      VAL  41   9.247   7.031   6.089
  143   2HG1  VAL  41          2HG1      VAL  41  10.087   5.493   5.914
  144   3HG1  VAL  41          3HG1      VAL  41   8.957   6.030   4.668
  145   1HG2  VAL  41          1HG2      VAL  41  12.349   6.868   6.175
  146   2HG2  VAL  41          2HG2      VAL  41  11.232   8.209   6.427
  147   3HG2  VAL  41          3HG2      VAL  41  12.491   8.332   5.201
  148    H    HIS  42           H        HIS  42  10.387   3.846   3.923
  149    HA   HIS  42           HA       HIS  42   8.621   4.302   1.590
  150   1HB   HIS  42          1HB       HIS  42  10.850   2.289   1.722
  151   2HB   HIS  42          2HB       HIS  42   9.395   1.891   0.813
  152    HD1  HIS  42           HD1      HIS  42   9.253   2.767  -1.513
  153    HD2  HIS  42           HD2      HIS  42  12.122   4.797   0.722
  154    HE1  HIS  42           HE1      HIS  42  10.464   4.296  -3.122
  155    H    ASN  43           H        ASN  43   6.744   3.037   1.702
  156    HA   ASN  43           HA       ASN  43   6.247   1.679   4.271
  157   1HB   ASN  43          1HB       ASN  43   4.515   2.249   1.846
  158   2HB   ASN  43          2HB       ASN  43   3.939   1.388   3.270
  159   1HD2  ASN  43          1HD2      ASN  43   2.637   3.752   2.729
  160   2HD2  ASN  43          2HD2      ASN  43   3.124   4.962   3.810
  161    H    VAL  44           H        VAL  44   7.511  -0.228   4.140
  162    HA   VAL  44           HA       VAL  44   7.290  -1.941   1.765
  163    HB   VAL  44           HB       VAL  44   9.410  -1.574   3.173
  164   1HG1  VAL  44          1HG1      VAL  44   9.723  -2.904   5.123
  165   2HG1  VAL  44          2HG1      VAL  44   8.206  -3.765   4.866
  166   3HG1  VAL  44          3HG1      VAL  44   8.186  -2.071   5.354
  167   1HG2  VAL  44          1HG2      VAL  44   8.513  -4.407   2.581
  168   2HG2  VAL  44          2HG2      VAL  44  10.181  -3.874   2.770
  169   3HG2  VAL  44          3HG2      VAL  44   9.221  -3.292   1.412
  170    HA   PRO  45           HA       PRO  45   3.562  -3.992   3.351
  171   1HB   PRO  45          1HB       PRO  45   4.708  -6.313   1.837
  172   2HB   PRO  45          2HB       PRO  45   3.051  -5.684   1.841
  173   1HG   PRO  45          1HG       PRO  45   4.706  -5.182  -0.180
  174   2HG   PRO  45          2HG       PRO  45   3.582  -3.947   0.408
  175   1HD   PRO  45          1HD       PRO  45   6.545  -4.143   0.793
  176   2HD   PRO  45          2HD       PRO  45   5.517  -2.703   0.657
  177    H    LEU  46           H        LEU  46   3.129  -5.221   5.149
  178    HA   LEU  46           HA       LEU  46   5.275  -6.138   6.815
  179   1HB   LEU  46          1HB       LEU  46   2.332  -6.825   6.888
  180   2HB   LEU  46          2HB       LEU  46   3.471  -7.154   8.180
  181    HG   LEU  46           HG       LEU  46   3.320  -4.321   7.223
  182   1HD1  LEU  46          1HD1      LEU  46   1.161  -5.663   8.854
  183   2HD1  LEU  46          2HD1      LEU  46   0.974  -4.862   7.294
  184   3HD1  LEU  46          3HD1      LEU  46   1.365  -3.916   8.732
  185   1HD2  LEU  46          1HD2      LEU  46   3.492  -3.906   9.691
  186   2HD2  LEU  46          2HD2      LEU  46   4.839  -4.839   9.045
  187   3HD2  LEU  46          3HD2      LEU  46   3.550  -5.647   9.938
  188    H    SER  47           H        SER  47   3.199  -7.673   4.481
  189    HA   SER  47           HA       SER  47   3.641 -10.390   5.192
  190   1HB   SER  47          1HB       SER  47   2.987 -10.813   2.769
  191   2HB   SER  47          2HB       SER  47   1.841  -9.878   3.726
  192    HG   SER  47           HG       SER  47   3.781  -8.883   1.914
  193    H    VAL  48           H        VAL  48   5.702  -8.213   3.311
  194    HA   VAL  48           HA       VAL  48   7.395 -10.535   2.503
  195    HB   VAL  48           HB       VAL  48   8.422  -9.093   0.908
  196   1HG1  VAL  48          1HG1      VAL  48   5.524  -8.268   0.874
  197   2HG1  VAL  48          2HG1      VAL  48   6.024  -9.922   0.532
  198   3HG1  VAL  48          3HG1      VAL  48   6.581  -8.601  -0.495
  199   1HG2  VAL  48          1HG2      VAL  48   6.996  -6.850   2.352
  200   2HG2  VAL  48          2HG2      VAL  48   7.727  -6.665   0.763
  201   3HG2  VAL  48          3HG2      VAL  48   8.734  -7.063   2.153
  202    H    LEU  49           H        LEU  49   7.350  -9.349   5.307
  203    HA   LEU  49           HA       LEU  49  10.082  -8.217   5.500
  204   1HB   LEU  49          1HB       LEU  49   7.947  -8.791   7.583
  205   2HB   LEU  49          2HB       LEU  49   9.536  -8.145   7.966
  206    HG   LEU  49           HG       LEU  49   7.481  -6.826   6.166
  207   1HD1  LEU  49          1HD1      LEU  49   8.498  -6.069   8.923
  208   2HD1  LEU  49          2HD1      LEU  49   6.947  -6.843   8.603
  209   3HD1  LEU  49          3HD1      LEU  49   7.264  -5.218   7.996
  210   1HD2  LEU  49          1HD2      LEU  49   9.465  -5.971   5.312
  211   2HD2  LEU  49          2HD2      LEU  49  10.346  -6.206   6.820
  212   3HD2  LEU  49          3HD2      LEU  49   9.226  -4.857   6.655
  213    H    ILE  50           H        ILE  50  11.800  -9.365   6.292
  214    HA   ILE  50           HA       ILE  50  11.373 -12.292   6.770
  215    HB   ILE  50           HB       ILE  50  13.870 -10.769   5.981
  216   1HG1  ILE  50          1HG1      ILE  50  12.181 -12.701   4.374
  217   2HG1  ILE  50          2HG1      ILE  50  12.001 -10.951   4.276
  218   1HG2  ILE  50          1HG2      ILE  50  14.655 -13.162   5.495
  219   2HG2  ILE  50          2HG2      ILE  50  13.282 -13.697   6.465
  220   3HG2  ILE  50          3HG2      ILE  50  14.547 -12.710   7.196
  221   1HD1  ILE  50          1HD1      ILE  50  13.466 -11.519   2.501
  222   2HD1  ILE  50          2HD1      ILE  50  14.396 -12.625   3.510
  223   3HD1  ILE  50          3HD1      ILE  50  14.518 -10.883   3.762
  224    H    ARG  51           H        ARG  51  11.395 -12.835   8.867
  225    HA   ARG  51           HA       ARG  51  13.347 -11.504  10.711
  226   1HB   ARG  51          1HB       ARG  51  10.407 -12.067  11.123
  227   2HB   ARG  51          2HB       ARG  51  11.511 -11.826  12.478
  228   1HG   ARG  51          1HG       ARG  51  12.169  -9.649  11.528
  229   2HG   ARG  51          2HG       ARG  51  11.014  -9.868  10.218
  230   1HD   ARG  51          1HD       ARG  51   9.166  -9.937  11.818
  231   2HD   ARG  51          2HD       ARG  51  10.298  -9.832  13.167
  232    HE   ARG  51           HE       ARG  51   9.426  -7.610  11.483
  233   1HH1  ARG  51          1HH1      ARG  51  11.873  -8.933  13.520
  234   2HH1  ARG  51          2HH1      ARG  51  12.527  -7.391  13.961
  235   1HH2  ARG  51          1HH2      ARG  51  10.265  -5.589  12.048
  236   2HH2  ARG  51          2HH2      ARG  51  11.616  -5.498  13.128
  237    HA   PRO  52           HA       PRO  52  13.707 -16.030  11.409
  238   1HB   PRO  52          1HB       PRO  52  16.296 -16.351  10.900
  239   2HB   PRO  52          2HB       PRO  52  15.176 -16.006   9.565
  240   1HG   PRO  52          1HG       PRO  52  17.100 -14.184  10.951
  241   2HG   PRO  52          2HG       PRO  52  16.656 -14.256   9.240
  242   1HD   PRO  52          1HD       PRO  52  15.557 -12.488  11.209
  243   2HD   PRO  52          2HD       PRO  52  14.953 -12.730   9.556
  244    H    LEU  53           H        LEU  53  13.933 -13.691  13.384
  245    HA   LEU  53           HA       LEU  53  15.628 -15.097  15.399
  246   1HB   LEU  53          1HB       LEU  53  16.734 -13.080  14.123
  247   2HB   LEU  53          2HB       LEU  53  15.723 -12.091  15.165
  248    HG   LEU  53           HG       LEU  53  17.623 -14.228  16.185
  249   1HD1  LEU  53          1HD1      LEU  53  19.008 -12.225  16.868
  250   2HD1  LEU  53          2HD1      LEU  53  17.961 -11.236  15.847
  251   3HD1  LEU  53          3HD1      LEU  53  18.947 -12.514  15.127
  252   1HD2  LEU  53          1HD2      LEU  53  17.310 -12.810  18.309
  253   2HD2  LEU  53          2HD2      LEU  53  15.944 -13.812  17.822
  254   3HD2  LEU  53          3HD2      LEU  53  15.933 -12.081  17.485
  255    HA   PRO  54           HA       PRO  54  11.353 -14.214  17.056
  256   1HB   PRO  54          1HB       PRO  54  12.574 -16.086  19.069
  257   2HB   PRO  54          2HB       PRO  54  10.923 -16.058  18.417
  258   1HG   PRO  54          1HG       PRO  54  12.688 -17.837  17.546
  259   2HG   PRO  54          2HG       PRO  54  11.566 -17.054  16.419
  260   1HD   PRO  54          1HD       PRO  54  14.499 -16.554  16.827
  261   2HD   PRO  54          2HD       PRO  54  13.541 -16.463  15.333
  262    H    SER  55           H        SER  55  10.751 -13.380  19.319
  263    HA   SER  55           HA       SER  55  12.961 -12.338  20.949
  264   1HB   SER  55          1HB       SER  55  11.275 -10.567  19.187
  265   2HB   SER  55          2HB       SER  55  11.990  -9.943  20.671
  266    HG   SER  55           HG       SER  55  13.778  -9.781  19.619
  267    H    VAL  56           H        VAL  56  12.101 -11.119  22.842
  268    HA   VAL  56           HA       VAL  56   9.489 -12.261  23.701
  269    HB   VAL  56           HB       VAL  56  11.703 -12.434  25.083
  270   1HG1  VAL  56          1HG1      VAL  56  12.107  -9.898  24.882
  271   2HG1  VAL  56          2HG1      VAL  56  12.282 -10.604  26.485
  272   3HG1  VAL  56          3HG1      VAL  56  10.818  -9.717  26.071
  273   1HG2  VAL  56          1HG2      VAL  56   9.514 -13.113  25.937
  274   2HG2  VAL  56          2HG2      VAL  56   9.124 -11.438  26.326
  275   3HG2  VAL  56          3HG2      VAL  56  10.412 -12.268  27.198
  276    H    LEU  57           H        LEU  57   7.750 -10.966  23.479
  277    HA   LEU  57           HA       LEU  57   8.140  -8.020  23.296
  278   1HB   LEU  57          1HB       LEU  57   5.723  -9.703  22.653
  279   2HB   LEU  57          2HB       LEU  57   5.881  -7.980  22.359
  280    HG   LEU  57           HG       LEU  57   7.708 -10.088  21.158
  281   1HD1  LEU  57          1HD1      LEU  57   6.445  -9.425  19.030
  282   2HD1  LEU  57          2HD1      LEU  57   5.249  -8.677  20.090
  283   3HD1  LEU  57          3HD1      LEU  57   5.547 -10.413  20.182
  284   1HD2  LEU  57          1HD2      LEU  57   7.504  -7.088  20.968
  285   2HD2  LEU  57          2HD2      LEU  57   8.078  -8.004  19.575
  286   3HD2  LEU  57          3HD2      LEU  57   8.938  -8.104  21.107
  287    H    ASP  58           H        ASP  58   7.025  -6.612  24.555
  288    HA   ASP  58           HA       ASP  58   5.880  -7.689  27.082
  289   1HB   ASP  58          1HB       ASP  58   7.673  -6.124  27.448
  290   2HB   ASP  58          2HB       ASP  58   7.010  -4.988  26.300
  291    HA   PRO  59           HA       PRO  59   1.959  -6.434  25.234
  292   1HB   PRO  59          1HB       PRO  59   0.284  -6.882  27.328
  293   2HB   PRO  59          2HB       PRO  59   1.052  -8.209  26.433
  294   1HG   PRO  59          1HG       PRO  59   1.867  -6.973  29.038
  295   2HG   PRO  59          2HG       PRO  59   1.743  -8.680  28.603
  296   1HD   PRO  59          1HD       PRO  59   4.129  -7.333  28.599
  297   2HD   PRO  59          2HD       PRO  59   3.795  -8.687  27.498
  298    H    ALA  60           H        ALA  60   3.307  -4.892  28.055
  299    HA   ALA  60           HA       ALA  60   1.271  -2.760  28.100
  300   1HB   ALA  60          1HB       ALA  60   3.938  -2.802  29.533
  301   2HB   ALA  60          2HB       ALA  60   2.505  -3.617  30.160
  302   3HB   ALA  60          3HB       ALA  60   2.504  -1.866  29.952
  303    H    LYS  61           H        LYS  61   4.566  -3.270  26.938
  304    HA   LYS  61           HA       LYS  61   4.988  -0.511  26.216
  305   1HB   LYS  61          1HB       LYS  61   6.605  -2.703  26.566
  306   2HB   LYS  61          2HB       LYS  61   6.559  -2.625  24.819
  307   1HG   LYS  61          1HG       LYS  61   7.354  -0.318  24.859
  308   2HG   LYS  61          2HG       LYS  61   7.238  -0.290  26.619
  309   1HD   LYS  61          1HD       LYS  61   9.573  -0.654  25.845
  310   2HD   LYS  61          2HD       LYS  61   8.968  -2.003  26.803
  311   1HE   LYS  61          1HE       LYS  61   8.761  -3.403  24.937
  312   2HE   LYS  61          2HE       LYS  61   8.682  -2.053  23.803
  313   1HZ   LYS  61          1HZ       LYS  61  10.931  -3.501  24.616
  314   2HZ   LYS  61          2HZ       LYS  61  11.112  -1.909  25.180
  315   3HZ   LYS  61          3HZ       LYS  61  10.855  -2.203  23.527
  316    H    VAL  62           H        VAL  62   3.644  -3.329  24.575
  317    HA   VAL  62           HA       VAL  62   3.695  -2.148  21.927
  318    HB   VAL  62           HB       VAL  62   2.116  -4.442  23.133
  319   1HG1  VAL  62          1HG1      VAL  62   2.124  -3.311  20.328
  320   2HG1  VAL  62          2HG1      VAL  62   0.735  -3.641  21.363
  321   3HG1  VAL  62          3HG1      VAL  62   1.654  -4.977  20.669
  322   1HG2  VAL  62          1HG2      VAL  62   3.627  -5.805  21.732
  323   2HG2  VAL  62          2HG2      VAL  62   4.544  -4.800  22.852
  324   3HG2  VAL  62          3HG2      VAL  62   4.418  -4.338  21.156
  325    H    GLN  63           H        GLN  63   1.383  -2.227  24.607
  326    HA   GLN  63           HA       GLN  63  -0.828  -1.091  23.169
  327   1HB   GLN  63          1HB       GLN  63  -0.070  -1.352  26.066
  328   2HB   GLN  63          2HB       GLN  63  -1.382  -0.252  25.649
  329   1HG   GLN  63          1HG       GLN  63  -1.328  -3.093  24.612
  330   2HG   GLN  63          2HG       GLN  63  -2.007  -2.705  26.192
  331   1HE2  GLN  63          1HE2      GLN  63  -3.998  -3.611  24.806
  332   2HE2  GLN  63          2HE2      GLN  63  -4.922  -2.425  24.018
  333    H    SER  64           H        SER  64   1.859   0.363  24.992
  334    HA   SER  64           HA       SER  64   0.968   3.071  24.807
  335   1HB   SER  64          1HB       SER  64   2.749   2.671  26.314
  336   2HB   SER  64          2HB       SER  64   3.691   1.802  25.102
  337    HG   SER  64           HG       SER  64   3.323   4.540  25.464
  338    H    LEU  65           H        LEU  65   2.846   1.034  22.592
  339    HA   LEU  65           HA       LEU  65   3.372   3.193  20.722
  340   1HB   LEU  65          1HB       LEU  65   3.716   0.210  20.782
  341   2HB   LEU  65          2HB       LEU  65   3.846   1.037  19.238
  342    HG   LEU  65           HG       LEU  65   5.381   2.112  21.602
  343   1HD1  LEU  65          1HD1      LEU  65   6.038  -0.176  21.699
  344   2HD1  LEU  65          2HD1      LEU  65   7.311   0.648  20.798
  345   3HD1  LEU  65          3HD1      LEU  65   6.100  -0.308  19.941
  346   1HD2  LEU  65          1HD2      LEU  65   5.890   1.996  18.612
  347   2HD2  LEU  65          2HD2      LEU  65   6.970   2.740  19.790
  348   3HD2  LEU  65          3HD2      LEU  65   5.361   3.409  19.524
  349    H    VAL  66           H        VAL  66   1.076   0.473  20.869
  350    HA   VAL  66           HA       VAL  66  -0.235   0.879  18.404
  351    HB   VAL  66           HB       VAL  66  -1.193  -0.129  21.092
  352   1HG1  VAL  66          1HG1      VAL  66  -3.139  -1.079  19.754
  353   2HG1  VAL  66          2HG1      VAL  66  -2.700   0.063  18.485
  354   3HG1  VAL  66          3HG1      VAL  66  -3.198   0.654  20.069
  355   1HG2  VAL  66          1HG2      VAL  66   0.506  -1.397  19.660
  356   2HG2  VAL  66          2HG2      VAL  66  -0.802  -1.628  18.500
  357   3HG2  VAL  66          3HG2      VAL  66  -0.940  -2.293  20.127
  358    H    ASP  67           H        ASP  67  -0.531   2.560  21.488
  359    HA   ASP  67           HA       ASP  67  -2.883   4.084  20.721
  360   1HB   ASP  67          1HB       ASP  67  -0.884   4.213  22.978
  361   2HB   ASP  67          2HB       ASP  67  -2.091   5.476  22.769
  362    H    THR  68           H        THR  68   0.633   4.665  20.689
  363    HA   THR  68           HA       THR  68   0.472   7.452  20.040
  364    HB   THR  68           HB       THR  68   2.690   5.604  19.134
  365    HG1  THR  68           HG1      THR  68   1.809   5.587  21.501
  366   1HG2  THR  68          1HG2      THR  68   2.667   8.455  20.161
  367   2HG2  THR  68          2HG2      THR  68   2.745   7.994  18.461
  368   3HG2  THR  68          3HG2      THR  68   4.070   7.580  19.548
  369    H    ILE  69           H        ILE  69   0.973   4.587  17.947
  370    HA   ILE  69           HA       ILE  69   0.972   5.959  15.470
  371    HB   ILE  69           HB       ILE  69  -0.174   3.206  16.054
  372   1HG1  ILE  69          1HG1      ILE  69   2.649   4.179  15.527
  373   2HG1  ILE  69          2HG1      ILE  69   2.069   3.284  16.925
  374   1HG2  ILE  69          1HG2      ILE  69  -0.645   4.263  13.771
  375   2HG2  ILE  69          2HG2      ILE  69   0.228   2.736  13.723
  376   3HG2  ILE  69          3HG2      ILE  69   1.097   4.254  13.504
  377   1HD1  ILE  69          1HD1      ILE  69   2.414   2.270  14.099
  378   2HD1  ILE  69          2HD1      ILE  69   1.484   1.395  15.315
  379   3HD1  ILE  69          3HD1      ILE  69   3.203   1.687  15.564
  380    H    ARG  70           H        ARG  70  -1.734   4.713  17.414
  381    HA   ARG  70           HA       ARG  70  -3.744   5.593  15.494
  382   1HB   ARG  70          1HB       ARG  70  -3.718   4.285  18.178
  383   2HB   ARG  70          2HB       ARG  70  -5.175   5.178  17.776
  384   1HG   ARG  70          1HG       ARG  70  -5.407   3.882  15.695
  385   2HG   ARG  70          2HG       ARG  70  -3.923   3.006  16.067
  386   1HD   ARG  70          1HD       ARG  70  -4.961   2.153  18.148
  387   2HD   ARG  70          2HD       ARG  70  -6.449   3.011  17.750
  388    HE   ARG  70           HE       ARG  70  -5.814   1.365  15.535
  389   1HH1  ARG  70          1HH1      ARG  70  -6.641   1.147  18.875
  390   2HH1  ARG  70          2HH1      ARG  70  -7.430  -0.387  18.717
  391   1HH2  ARG  70          1HH2      ARG  70  -6.839  -0.637  15.309
  392   2HH2  ARG  70          2HH2      ARG  70  -7.542  -1.396  16.697
  393    H    GLU  71           H        GLU  71  -2.165   7.047  18.279
  394    HA   GLU  71           HA       GLU  71  -4.142   9.244  18.389
  395   1HB   GLU  71          1HB       GLU  71  -1.682   8.572  20.029
  396   2HB   GLU  71          2HB       GLU  71  -2.472  10.128  20.152
  397   1HG   GLU  71          1HG       GLU  71  -4.008   7.544  20.448
  398   2HG   GLU  71          2HG       GLU  71  -3.243   8.348  21.818
  399    H    ASP  72           H        ASP  72  -0.811   8.678  17.349
  400    HA   ASP  72           HA       ASP  72  -0.945  11.072  15.658
  401   1HB   ASP  72          1HB       ASP  72  -0.158  11.791  17.989
  402   2HB   ASP  72          2HB       ASP  72   1.308  10.874  17.656
  403    HA   PRO  73           HA       PRO  73   1.526   7.648  13.817
  404   1HB   PRO  73          1HB       PRO  73   1.165   8.318  11.182
  405   2HB   PRO  73          2HB       PRO  73  -0.024   7.404  12.128
  406   1HG   PRO  73          1HG       PRO  73   0.019  10.312  11.438
  407   2HG   PRO  73          2HG       PRO  73  -1.342   9.180  11.452
  408   1HD   PRO  73          1HD       PRO  73  -0.872  10.959  13.471
  409   2HD   PRO  73          2HD       PRO  73  -1.660   9.393  13.747
  410    H    ASP  74           H        ASP  74   1.961  11.089  13.519
  411    HA   ASP  74           HA       ASP  74   4.490  10.864  12.041
  412   1HB   ASP  74          1HB       ASP  74   3.006  13.174  13.309
  413   2HB   ASP  74          2HB       ASP  74   4.618  13.361  12.617
  414    H    SER  75           H        SER  75   3.470  11.090  15.405
  415    HA   SER  75           HA       SER  75   6.097  11.805  16.431
  416   1HB   SER  75          1HB       SER  75   3.637  10.620  17.748
  417   2HB   SER  75          2HB       SER  75   5.105  11.042  18.624
  418    HG   SER  75           HG       SER  75   4.846  13.181  17.682
  419    H    VAL  76           H        VAL  76   5.548   9.295  14.657
  420    HA   VAL  76           HA       VAL  76   7.114   7.388  16.349
  421    HB   VAL  76           HB       VAL  76   5.117   6.439  14.295
  422   1HG1  VAL  76          1HG1      VAL  76   6.858   4.943  15.487
  423   2HG1  VAL  76          2HG1      VAL  76   5.179   4.409  15.517
  424   3HG1  VAL  76          3HG1      VAL  76   5.879   5.179  16.939
  425   1HG2  VAL  76          1HG2      VAL  76   4.565   7.361  17.120
  426   2HG2  VAL  76          2HG2      VAL  76   3.516   6.220  16.280
  427   3HG2  VAL  76          3HG2      VAL  76   3.742   7.846  15.638
  428    HA   PRO  77           HA       PRO  77   9.414   8.124  12.458
  429   1HB   PRO  77          1HB       PRO  77  11.902   7.338  13.377
  430   2HB   PRO  77          2HB       PRO  77  11.222   8.958  13.594
  431   1HG   PRO  77          1HG       PRO  77  11.465   6.713  15.525
  432   2HG   PRO  77          2HG       PRO  77  11.504   8.458  15.815
  433   1HD   PRO  77          1HD       PRO  77   9.307   6.775  16.293
  434   2HD   PRO  77          2HD       PRO  77   9.226   8.544  16.163
  435    HA   PRO  78           HA       PRO  78   9.600   4.054  10.725
  436   1HB   PRO  78          1HB       PRO  78  11.572   4.308   8.834
  437   2HB   PRO  78          2HB       PRO  78   9.973   5.051   8.673
  438   1HG   PRO  78          1HG       PRO  78  12.555   6.275   9.552
  439   2HG   PRO  78          2HG       PRO  78  11.307   6.934   8.485
  440   1HD   PRO  78          1HD       PRO  78  11.538   7.649  11.118
  441   2HD   PRO  78          2HD       PRO  78   9.989   7.651  10.263
  442    H    ILE  79           H        ILE  79  11.110   2.176  10.281
  443    HA   ILE  79           HA       ILE  79  13.255   2.079  12.371
  444    HB   ILE  79           HB       ILE  79  12.971  -0.443  12.030
  445   1HG1  ILE  79          1HG1      ILE  79  10.328   0.367  10.798
  446   2HG1  ILE  79          2HG1      ILE  79  11.731  -0.007   9.798
  447   1HG2  ILE  79          1HG2      ILE  79  10.807   1.350  13.140
  448   2HG2  ILE  79          2HG2      ILE  79  12.064   0.475  14.015
  449   3HG2  ILE  79          3HG2      ILE  79  10.719  -0.406  13.292
  450   1HD1  ILE  79          1HD1      ILE  79  10.450  -1.844  11.839
  451   2HD1  ILE  79          2HD1      ILE  79  11.911  -2.216  10.924
  452   3HD1  ILE  79          3HD1      ILE  79  10.372  -2.016  10.086
  453    H    ASP  80           H        ASP  80  15.148   0.683  11.797
  454    HA   ASP  80           HA       ASP  80  16.094   1.350   9.089
  455   1HB   ASP  80          1HB       ASP  80  18.210   0.210  10.080
  456   2HB   ASP  80          2HB       ASP  80  17.718   1.759  10.755
  457    H    VAL  81           H        VAL  81  16.222  -0.165   7.463
  458    HA   VAL  81           HA       VAL  81  15.957  -3.060   8.170
  459    HB   VAL  81           HB       VAL  81  14.235  -1.430   6.293
  460   1HG1  VAL  81          1HG1      VAL  81  14.792  -4.402   6.190
  461   2HG1  VAL  81          2HG1      VAL  81  14.911  -3.237   4.874
  462   3HG1  VAL  81          3HG1      VAL  81  13.331  -3.685   5.516
  463   1HG2  VAL  81          1HG2      VAL  81  12.451  -2.777   7.451
  464   2HG2  VAL  81          2HG2      VAL  81  13.374  -1.737   8.536
  465   3HG2  VAL  81          3HG2      VAL  81  13.709  -3.467   8.477
  466    H    LEU  82           H        LEU  82  17.272  -4.357   7.024
  467    HA   LEU  82           HA       LEU  82  19.156  -3.105   5.142
  468   1HB   LEU  82          1HB       LEU  82  18.954  -5.979   6.078
  469   2HB   LEU  82          2HB       LEU  82  20.307  -5.270   5.204
  470    HG   LEU  82           HG       LEU  82  19.367  -4.126   7.844
  471   1HD1  LEU  82          1HD1      LEU  82  19.922  -6.565   8.094
  472   2HD1  LEU  82          2HD1      LEU  82  20.988  -5.493   9.001
  473   3HD1  LEU  82          3HD1      LEU  82  21.537  -6.207   7.484
  474   1HD2  LEU  82          1HD2      LEU  82  20.858  -2.662   6.669
  475   2HD2  LEU  82          2HD2      LEU  82  21.929  -3.992   6.228
  476   3HD2  LEU  82          3HD2      LEU  82  21.827  -3.459   7.904
  477    H    TRP  83           H        TRP  83  19.125  -3.367   2.988
  478    HA   TRP  83           HA       TRP  83  16.977  -5.070   1.775
  479   1HB   TRP  83          1HB       TRP  83  16.525  -2.748   1.433
  480   2HB   TRP  83          2HB       TRP  83  18.192  -2.404   1.054
  481    HD1  TRP  83           HD1      TRP  83  16.563  -5.424  -0.602
  482    HE1  TRP  83           HE1      TRP  83  16.256  -4.915  -3.121
  483    HE3  TRP  83           HE3      TRP  83  17.804  -0.459  -0.660
  484    HZ2  TRP  83           HZ2      TRP  83  16.511  -2.696  -4.898
  485    HZ3  TRP  83           HZ3      TRP  83  17.765   0.817  -2.780
  486    HH2  TRP  83           HH2      TRP  83  17.143  -0.297  -4.896
  487    H    ILE  84           H        ILE  84  17.897  -6.864   0.852
  488    HA   ILE  84           HA       ILE  84  20.518  -6.539  -0.577
  489    HB   ILE  84           HB       ILE  84  19.775  -8.949   1.100
  490   1HG1  ILE  84          1HG1      ILE  84  21.450  -6.511   1.775
  491   2HG1  ILE  84          2HG1      ILE  84  19.992  -7.052   2.603
  492   1HG2  ILE  84          1HG2      ILE  84  21.463  -9.102  -0.828
  493   2HG2  ILE  84          2HG2      ILE  84  22.047  -9.604   0.759
  494   3HG2  ILE  84          3HG2      ILE  84  22.484  -8.019   0.121
  495   1HD1  ILE  84          1HD1      ILE  84  22.701  -8.394   2.550
  496   2HD1  ILE  84          2HD1      ILE  84  21.243  -9.225   3.091
  497   3HD1  ILE  84          3HD1      ILE  84  21.814  -7.795   3.951
  498    H    LYS  85           H        LYS  85  20.743  -7.701  -2.440
  499    HA   LYS  85           HA       LYS  85  18.273  -8.987  -3.503
  500   1HB   LYS  85          1HB       LYS  85  20.194  -7.112  -4.537
  501   2HB   LYS  85          2HB       LYS  85  20.328  -8.569  -5.514
  502   1HG   LYS  85          1HG       LYS  85  18.025  -8.486  -6.124
  503   2HG   LYS  85          2HG       LYS  85  17.669  -7.268  -4.914
  504   1HD   LYS  85          1HD       LYS  85  19.377  -5.781  -6.186
  505   2HD   LYS  85          2HD       LYS  85  19.195  -6.948  -7.492
  506   1HE   LYS  85          1HE       LYS  85  17.552  -5.375  -8.029
  507   2HE   LYS  85          2HE       LYS  85  16.609  -6.528  -7.093
  508   1HZ   LYS  85          1HZ       LYS  85  17.396  -5.027  -5.134
  509   2HZ   LYS  85          2HZ       LYS  85  16.071  -4.564  -6.092
  510   3HZ   LYS  85          3HZ       LYS  85  17.599  -3.868  -6.356
  511    H    GLY  86           H        GLY  86  18.510 -10.948  -4.760
  512   1HA   GLY  86          1HA       GLY  86  20.642 -12.717  -3.664
  513   2HA   GLY  86          2HA       GLY  86  19.139 -13.255  -4.410
  514    H    ALA  87           H        ALA  87  20.780 -14.643  -5.584
  515    HA   ALA  87           HA       ALA  87  22.522 -13.435  -7.544
  516   1HB   ALA  87          1HB       ALA  87  22.466 -15.842  -8.501
  517   2HB   ALA  87          2HB       ALA  87  21.477 -16.230  -7.093
  518   3HB   ALA  87          3HB       ALA  87  23.116 -15.621  -6.877
  519    H    GLN  88           H        GLN  88  19.145 -13.654  -7.484
  520    HA   GLN  88           HA       GLN  88  19.037 -13.382 -10.473
  521   1HB   GLN  88          1HB       GLN  88  16.923 -14.739  -8.785
  522   2HB   GLN  88          2HB       GLN  88  17.019 -14.678 -10.547
  523   1HG   GLN  88          1HG       GLN  88  19.289 -15.842 -10.316
  524   2HG   GLN  88          2HG       GLN  88  18.848 -16.144  -8.635
  525   1HE2  GLN  88          1HE2      GLN  88  19.074 -18.499  -9.665
  526   2HE2  GLN  88          2HE2      GLN  88  17.632 -19.161 -10.262
  527    H    GLY  89           H        GLY  89  19.183 -11.213  -8.593
  528   1HA   GLY  89          1HA       GLY  89  18.167  -9.121  -8.368
  529   2HA   GLY  89          2HA       GLY  89  16.975  -9.657  -9.538
  530    H    GLY  90           H        GLY  90  16.580 -12.006  -7.427
  531   1HA   GLY  90          1HA       GLY  90  14.155 -11.132  -6.361
  532   2HA   GLY  90          2HA       GLY  90  15.123 -12.413  -5.642
  533    H    ASP  91           H        ASP  91  13.939  -9.299  -5.212
  534    HA   ASP  91           HA       ASP  91  16.023  -8.323  -3.423
  535   1HB   ASP  91          1HB       ASP  91  13.264  -7.387  -4.192
  536   2HB   ASP  91          2HB       ASP  91  14.073  -6.673  -2.810
  537    H    TYR  92           H        TYR  92  16.132  -8.628  -1.255
  538    HA   TYR  92           HA       TYR  92  13.835  -9.962   0.143
  539   1HB   TYR  92          1HB       TYR  92  16.800 -10.557   0.440
  540   2HB   TYR  92          2HB       TYR  92  15.517 -11.275   1.414
  541    HD1  TYR  92           HD1      TYR  92  13.874 -12.833   0.386
  542    HD2  TYR  92           HD2      TYR  92  17.154 -11.225  -1.877
  543    HE1  TYR  92           HE1      TYR  92  13.508 -14.546  -1.361
  544    HE2  TYR  92           HE2      TYR  92  16.786 -12.943  -3.619
  545    HH   TYR  92           HH       TYR  92  15.779 -15.123  -3.870
  546    H    PHE  93           H        PHE  93  13.192  -8.774   1.891
  547    HA   PHE  93           HA       PHE  93  14.973  -6.593   2.851
  548   1HB   PHE  93          1HB       PHE  93  12.006  -7.049   3.329
  549   2HB   PHE  93          2HB       PHE  93  12.927  -5.618   3.765
  550    HD1  PHE  93           HD1      PHE  93  11.121  -7.301   1.121
  551    HD2  PHE  93           HD2      PHE  93  14.050  -4.252   1.905
  552    HE1  PHE  93           HE1      PHE  93  10.790  -6.392  -1.159
  553    HE2  PHE  93           HE2      PHE  93  13.711  -3.353  -0.378
  554    HZ   PHE  93           HZ       PHE  93  12.092  -4.417  -1.910
  555    H    TYR  94           H        TYR  94  16.054  -6.903   4.673
  556    HA   TYR  94           HA       TYR  94  15.132  -8.954   6.644
  557   1HB   TYR  94          1HB       TYR  94  17.798  -7.981   5.691
  558   2HB   TYR  94          2HB       TYR  94  17.690  -8.444   7.388
  559    HD1  TYR  94           HD1      TYR  94  17.292  -9.626   3.907
  560    HD2  TYR  94           HD2      TYR  94  17.390 -10.714   8.057
  561    HE1  TYR  94           HE1      TYR  94  17.415 -12.013   3.274
  562    HE2  TYR  94           HE2      TYR  94  17.513 -13.109   7.420
  563    HH   TYR  94           HH       TYR  94  17.548 -14.105   3.993
  564    H    SER  95           H        SER  95  14.566  -8.286   8.661
  565    HA   SER  95           HA       SER  95  15.258  -5.472   9.473
  566   1HB   SER  95          1HB       SER  95  12.748  -6.188   8.881
  567   2HB   SER  95          2HB       SER  95  12.780  -6.764  10.539
  568    HG   SER  95           HG       SER  95  12.876  -4.795  11.251
  569    H    PHE  96           H        PHE  96  16.299  -5.332  11.372
  570    HA   PHE  96           HA       PHE  96  16.166  -7.609  13.317
  571   1HB   PHE  96          1HB       PHE  96  18.591  -6.083  12.338
  572   2HB   PHE  96          2HB       PHE  96  18.571  -7.014  13.835
  573    HD1  PHE  96           HD1      PHE  96  19.108  -7.172  10.327
  574    HD2  PHE  96           HD2      PHE  96  17.734  -9.483  13.653
  575    HE1  PHE  96           HE1      PHE  96  19.588  -9.243   9.071
  576    HE2  PHE  96           HE2      PHE  96  18.197 -11.570  12.397
  577    HZ   PHE  96           HZ       PHE  96  19.127 -11.450  10.102
  578    H    GLY  97           H        GLY  97  14.679  -6.304  14.495
  579   1HA   GLY  97          1HA       GLY  97  15.134  -4.931  16.672
  580   2HA   GLY  97          2HA       GLY  97  15.638  -3.678  15.536
  581    H    GLY  98           H        GLY  98  13.797  -2.431  16.511
  582   1HA   GLY  98          1HA       GLY  98  11.544  -1.719  16.543
  583   2HA   GLY  98          2HA       GLY  98  11.597  -2.172  14.842
  584    H    CYS  99           H        CYS  99  12.192  -4.762  17.025
  585    HA   CYS  99           HA       CYS  99  10.146  -6.416  16.107
  586   1HB   CYS  99          1HB       CYS  99  11.071  -6.472  18.983
  587   2HB   CYS  99          2HB       CYS  99  10.615  -7.826  17.951
  588    HG   CYS  99           HG       CYS  99  12.829  -7.535  16.624
  589    H    HIS 100           H        HIS 100  10.037  -4.320  19.008
  590    HA   HIS 100           HA       HIS 100   7.304  -4.977  19.624
  591   1HB   HIS 100          1HB       HIS 100   9.168  -2.749  20.437
  592   2HB   HIS 100          2HB       HIS 100   7.470  -2.701  20.907
  593    HD1  HIS 100           HD1      HIS 100  10.482  -5.016  21.190
  594    HD2  HIS 100           HD2      HIS 100   6.851  -4.273  23.107
  595    HE1  HIS 100           HE1      HIS 100  10.450  -6.483  23.257
  596    H    ARG 101           H        ARG 101   8.755  -2.268  17.788
  597    HA   ARG 101           HA       ARG 101   6.295  -0.915  17.291
  598   1HB   ARG 101          1HB       ARG 101   8.796  -1.022  15.557
  599   2HB   ARG 101          2HB       ARG 101   7.472   0.125  15.366
  600   1HG   ARG 101          1HG       ARG 101   7.855   0.750  17.808
  601   2HG   ARG 101          2HG       ARG 101   9.338  -0.181  17.732
  602   1HD   ARG 101          1HD       ARG 101   8.851   1.932  15.645
  603   2HD   ARG 101          2HD       ARG 101   9.381   2.417  17.253
  604    HE   ARG 101           HE       ARG 101  10.988   0.276  16.050
  605   1HH1  ARG 101          1HH1      ARG 101  10.454   3.655  16.499
  606   2HH1  ARG 101          2HH1      ARG 101  12.108   4.088  16.222
  607   1HH2  ARG 101          1HH2      ARG 101  13.153   0.826  15.690
  608   2HH2  ARG 101          2HH2      ARG 101  13.634   2.488  15.764
  609    H    TYR 102           H        TYR 102   7.730  -3.744  15.854
  610    HA   TYR 102           HA       TYR 102   6.019  -3.832  13.519
  611   1HB   TYR 102          1HB       TYR 102   7.981  -5.177  13.406
  612   2HB   TYR 102          2HB       TYR 102   7.673  -5.910  14.972
  613    HD1  TYR 102           HD1      TYR 102   6.852  -5.997  11.391
  614    HD2  TYR 102           HD2      TYR 102   5.920  -7.594  15.266
  615    HE1  TYR 102           HE1      TYR 102   5.634  -7.880  10.326
  616    HE2  TYR 102           HE2      TYR 102   4.697  -9.467  14.204
  617    HH   TYR 102           HH       TYR 102   4.506  -9.756  10.652
  618    H    ALA 103           H        ALA 103   5.830  -5.225  16.787
  619    HA   ALA 103           HA       ALA 103   3.441  -6.730  16.428
  620   1HB   ALA 103          1HB       ALA 103   3.161  -6.328  18.941
  621   2HB   ALA 103          2HB       ALA 103   4.634  -5.362  18.848
  622   3HB   ALA 103          3HB       ALA 103   4.678  -7.078  18.443
  623    H    ALA 104           H        ALA 104   3.901  -3.345  17.482
  624    HA   ALA 104           HA       ALA 104   1.150  -2.761  17.887
  625   1HB   ALA 104          1HB       ALA 104   2.715  -1.159  18.692
  626   2HB   ALA 104          2HB       ALA 104   1.895  -0.355  17.353
  627   3HB   ALA 104          3HB       ALA 104   3.507  -1.032  17.121
  628    H    TYR 105           H        TYR 105   3.164  -2.470  14.961
  629    HA   TYR 105           HA       TYR 105   1.049  -1.428  13.311
  630   1HB   TYR 105          1HB       TYR 105   3.799  -2.518  12.940
  631   2HB   TYR 105          2HB       TYR 105   2.745  -2.678  11.544
  632    HD1  TYR 105           HD1      TYR 105   1.633  -0.636  10.586
  633    HD2  TYR 105           HD2      TYR 105   4.720  -0.396  13.561
  634    HE1  TYR 105           HE1      TYR 105   2.007   1.742  10.000
  635    HE2  TYR 105           HE2      TYR 105   5.103   1.984  12.963
  636    HH   TYR 105           HH       TYR 105   2.933   3.754  10.989
  637    H    GLN 106           H        GLN 106   2.307  -4.712  13.881
  638    HA   GLN 106           HA       GLN 106   0.637  -6.076  12.046
  639   1HB   GLN 106          1HB       GLN 106   2.604  -7.055  13.256
  640   2HB   GLN 106          2HB       GLN 106   1.636  -7.081  14.728
  641   1HG   GLN 106          1HG       GLN 106   0.657  -8.395  12.195
  642   2HG   GLN 106          2HG       GLN 106   1.735  -9.248  13.292
  643   1HE2  GLN 106          1HE2      GLN 106   0.885  -9.651  15.553
  644   2HE2  GLN 106          2HE2      GLN 106  -0.786  -9.625  15.829
  645    H    GLN 107           H        GLN 107   0.168  -5.477  15.541
  646    HA   GLN 107           HA       GLN 107  -2.367  -6.673  15.800
  647   1HB   GLN 107          1HB       GLN 107  -0.914  -5.836  17.658
  648   2HB   GLN 107          2HB       GLN 107  -1.379  -4.193  17.229
  649   1HG   GLN 107          1HG       GLN 107  -3.484  -6.287  17.790
  650   2HG   GLN 107          2HG       GLN 107  -2.703  -5.420  19.103
  651   1HE2  GLN 107          1HE2      GLN 107  -5.411  -4.970  18.837
  652   2HE2  GLN 107          2HE2      GLN 107  -5.703  -3.435  18.174
  653    H    LEU 108           H        LEU 108  -1.531  -3.329  14.858
  654    HA   LEU 108           HA       LEU 108  -4.265  -2.445  14.677
  655   1HB   LEU 108          1HB       LEU 108  -1.710  -1.420  13.420
  656   2HB   LEU 108          2HB       LEU 108  -3.260  -0.600  13.252
  657    HG   LEU 108           HG       LEU 108  -2.001  -1.301  15.925
  658   1HD1  LEU 108          1HD1      LEU 108  -0.702   0.376  14.495
  659   2HD1  LEU 108          2HD1      LEU 108  -1.201   0.938  16.090
  660   3HD1  LEU 108          3HD1      LEU 108  -2.098   1.442  14.657
  661   1HD2  LEU 108          1HD2      LEU 108  -4.225  -0.964  16.455
  662   2HD2  LEU 108          2HD2      LEU 108  -4.522   0.079  15.066
  663   3HD2  LEU 108          3HD2      LEU 108  -3.693   0.713  16.483
  664    H    GLN 109           H        GLN 109  -2.973  -4.887  13.047
  665    HA   GLN 109           HA       GLN 109  -3.310  -5.854  10.930
  666   1HB   GLN 109          1HB       GLN 109  -5.615  -5.738  12.102
  667   2HB   GLN 109          2HB       GLN 109  -5.965  -4.416  10.990
  668   1HG   GLN 109          1HG       GLN 109  -5.556  -5.869   9.071
  669   2HG   GLN 109          2HG       GLN 109  -5.057  -7.183  10.134
  670   1HE2  GLN 109          1HE2      GLN 109  -7.407  -5.898  11.941
  671   2HE2  GLN 109          2HE2      GLN 109  -8.767  -6.712  11.336
  672    H    ARG 110           H        ARG 110  -1.863  -3.435  10.709
  673    HA   ARG 110           HA       ARG 110  -3.084  -1.805   8.606
  674   1HB   ARG 110          1HB       ARG 110  -0.362  -1.861   9.909
  675   2HB   ARG 110          2HB       ARG 110  -0.710  -0.813   8.538
  676   1HG   ARG 110          1HG       ARG 110  -2.306  -0.840  11.122
  677   2HG   ARG 110          2HG       ARG 110  -1.027   0.312  10.772
  678   1HD   ARG 110          1HD       ARG 110  -2.493   0.681   8.544
  679   2HD   ARG 110          2HD       ARG 110  -3.780   0.155   9.631
  680    HE   ARG 110           HE       ARG 110  -2.314   2.676   9.798
  681   1HH1  ARG 110          1HH1      ARG 110  -4.137   0.247  11.429
  682   2HH1  ARG 110          2HH1      ARG 110  -4.669   1.306  12.693
  683   1HH2  ARG 110          1HH2      ARG 110  -2.998   4.073  11.438
  684   2HH2  ARG 110          2HH2      ARG 110  -4.024   3.472  12.697
  685    H    GLU 111           H        GLU 111  -2.075  -1.604   6.469
  686    HA   GLU 111           HA       GLU 111  -1.505  -4.252   5.365
  687   1HB   GLU 111          1HB       GLU 111  -1.964  -1.510   4.222
  688   2HB   GLU 111          2HB       GLU 111  -1.257  -2.761   3.200
  689   1HG   GLU 111          1HG       GLU 111  -3.788  -3.231   4.788
  690   2HG   GLU 111          2HG       GLU 111  -3.811  -2.563   3.160
  691    H    THR 112           H        THR 112   0.346  -1.203   5.772
  692    HA   THR 112           HA       THR 112   2.847  -2.802   5.242
  693    HB   THR 112           HB       THR 112   3.745  -0.726   4.142
  694    HG1  THR 112           HG1      THR 112   1.029   0.023   4.414
  695   1HG2  THR 112          1HG2      THR 112   3.198  -1.959   2.317
  696   2HG2  THR 112          2HG2      THR 112   1.706  -1.032   2.245
  697   3HG2  THR 112          3HG2      THR 112   1.736  -2.582   3.084
  698    H    ILE 113           H        ILE 113   4.816  -1.330   5.882
  699    HA   ILE 113           HA       ILE 113   4.217   0.210   8.365
  700    HB   ILE 113           HB       ILE 113   4.833  -2.165   8.942
  701   1HG1  ILE 113          1HG1      ILE 113   6.864  -0.090   9.806
  702   2HG1  ILE 113          2HG1      ILE 113   5.217  -0.160  10.428
  703   1HG2  ILE 113          1HG2      ILE 113   6.533  -2.285   7.006
  704   2HG2  ILE 113          2HG2      ILE 113   7.044  -2.964   8.551
  705   3HG2  ILE 113          3HG2      ILE 113   7.616  -1.374   8.056
  706   1HD1  ILE 113          1HD1      ILE 113   7.423  -2.207  10.738
  707   2HD1  ILE 113          2HD1      ILE 113   5.734  -2.605  11.047
  708   3HD1  ILE 113          3HD1      ILE 113   6.537  -1.365  12.008
  709    HA   PRO 114           HA       PRO 114   7.311   2.854   6.412
  710   1HB   PRO 114          1HB       PRO 114   7.898   4.042   9.071
  711   2HB   PRO 114          2HB       PRO 114   7.240   4.818   7.620
  712   1HG   PRO 114          1HG       PRO 114   5.747   4.348   9.817
  713   2HG   PRO 114          2HG       PRO 114   5.068   4.305   8.182
  714   1HD   PRO 114          1HD       PRO 114   5.850   2.011   9.970
  715   2HD   PRO 114          2HD       PRO 114   4.445   2.190   8.909
  716    H    ALA 115           H        ALA 115   9.437   2.390   5.982
  717    HA   ALA 115           HA       ALA 115  11.273   1.597   8.148
  718   1HB   ALA 115          1HB       ALA 115  10.728  -0.266   5.817
  719   2HB   ALA 115          2HB       ALA 115  10.164  -0.531   7.467
  720   3HB   ALA 115          3HB       ALA 115  11.892  -0.526   7.115
  721    H    LYS 116           H        LYS 116  13.317   2.284   7.684
  722    HA   LYS 116           HA       LYS 116  13.755   3.732   5.187
  723   1HB   LYS 116          1HB       LYS 116  14.696   4.087   7.712
  724   2HB   LYS 116          2HB       LYS 116  16.045   3.175   7.044
  725   1HG   LYS 116          1HG       LYS 116  14.862   5.695   5.845
  726   2HG   LYS 116          2HG       LYS 116  16.369   5.611   6.757
  727   1HD   LYS 116          1HD       LYS 116  17.135   3.871   5.036
  728   2HD   LYS 116          2HD       LYS 116  15.748   4.372   4.069
  729   1HE   LYS 116          1HE       LYS 116  18.151   5.999   4.892
  730   2HE   LYS 116          2HE       LYS 116  17.505   5.736   3.272
  731   1HZ   LYS 116          1HZ       LYS 116  16.791   7.857   3.810
  732   2HZ   LYS 116          2HZ       LYS 116  16.450   7.455   5.425
  733   3HZ   LYS 116          3HZ       LYS 116  15.436   6.906   4.177
  734    H    LEU 117           H        LEU 117  14.329   2.638   3.347
  735    HA   LEU 117           HA       LEU 117  15.500  -0.048   3.520
  736   1HB   LEU 117          1HB       LEU 117  15.171   1.695   1.063
  737   2HB   LEU 117          2HB       LEU 117  15.452  -0.041   1.091
  738    HG   LEU 117           HG       LEU 117  12.981   1.395   2.108
  739   1HD1  LEU 117          1HD1      LEU 117  11.946  -0.111   0.287
  740   2HD1  LEU 117          2HD1      LEU 117  13.595  -0.346  -0.289
  741   3HD1  LEU 117          3HD1      LEU 117  12.893   1.269  -0.274
  742   1HD2  LEU 117          1HD2      LEU 117  13.892  -1.476   2.299
  743   2HD2  LEU 117          2HD2      LEU 117  12.175  -1.075   2.273
  744   3HD2  LEU 117          3HD2      LEU 117  13.203  -0.453   3.560
  745    H    VAL 118           H        VAL 118  17.630  -0.562   3.340
  746    HA   VAL 118           HA       VAL 118  19.556   1.521   2.401
  747    HB   VAL 118           HB       VAL 118  19.914  -0.149   4.909
  748   1HG1  VAL 118          1HG1      VAL 118  21.901   1.280   5.240
  749   2HG1  VAL 118          2HG1      VAL 118  21.567   2.099   3.715
  750   3HG1  VAL 118          3HG1      VAL 118  22.012   0.393   3.720
  751   1HG2  VAL 118          1HG2      VAL 118  19.344   2.814   4.594
  752   2HG2  VAL 118          2HG2      VAL 118  19.663   1.984   6.117
  753   3HG2  VAL 118          3HG2      VAL 118  18.204   1.612   5.199
  754    H    GLN 119           H        GLN 119  20.145   0.419   0.541
  755    HA   GLN 119           HA       GLN 119  20.308  -2.357   0.230
  756   1HB   GLN 119          1HB       GLN 119  22.086  -1.859  -1.567
  757   2HB   GLN 119          2HB       GLN 119  20.476  -1.203  -1.793
  758   1HG   GLN 119          1HG       GLN 119  22.770   0.349  -0.564
  759   2HG   GLN 119          2HG       GLN 119  22.328   0.408  -2.269
  760   1HE2  GLN 119          1HE2      GLN 119  19.749   0.821  -2.514
  761   2HE2  GLN 119          2HE2      GLN 119  19.168   2.097  -1.561
  762    H    SER 120           H        SER 120  21.721  -3.894   0.824
  763    HA   SER 120           HA       SER 120  24.337  -3.094   2.039
  764   1HB   SER 120          1HB       SER 120  22.141  -4.794   3.206
  765   2HB   SER 120          2HB       SER 120  23.807  -5.052   3.694
  766    HG   SER 120           HG       SER 120  22.091  -3.036   4.331
  767    H    THR 121           H        THR 121  25.513  -5.397   2.519
  768    HA   THR 121           HA       THR 121  25.313  -6.984  -0.025
  769    HB   THR 121           HB       THR 121  27.768  -7.495   0.484
  770    HG1  THR 121           HG1      THR 121  27.262  -5.361   2.273
  771   1HG2  THR 121          1HG2      THR 121  28.494  -5.200  -0.342
  772   2HG2  THR 121          2HG2      THR 121  26.807  -4.710  -0.193
  773   3HG2  THR 121          3HG2      THR 121  27.255  -5.999  -1.310
  774    H    LEU 122           H        LEU 122  25.853  -9.269   0.180
  775    HA   LEU 122           HA       LEU 122  24.501 -10.575   2.284
  776   1HB   LEU 122          1HB       LEU 122  25.152 -11.613   0.068
  777   2HB   LEU 122          2HB       LEU 122  26.794 -11.755   0.686
  778    HG   LEU 122           HG       LEU 122  25.883 -13.108   2.607
  779   1HD1  LEU 122          1HD1      LEU 122  23.330 -12.613   1.093
  780   2HD1  LEU 122          2HD1      LEU 122  23.609 -12.653   2.832
  781   3HD1  LEU 122          3HD1      LEU 122  23.534 -14.154   1.922
  782   1HD2  LEU 122          1HD2      LEU 122  26.879 -14.331   0.818
  783   2HD2  LEU 122          2HD2      LEU 122  25.507 -14.029  -0.249
  784   3HD2  LEU 122          3HD2      LEU 122  25.332 -15.128   1.119
  785    H    SER 123           H        SER 123  27.831  -9.441   2.133
  786    HA   SER 123           HA       SER 123  28.933 -10.958   4.261
  787   1HB   SER 123          1HB       SER 123  29.493  -8.096   3.425
  788   2HB   SER 123          2HB       SER 123  30.499  -9.029   4.534
  789    HG   SER 123           HG       SER 123  29.845 -10.165   2.074
  790    H    ASP 124           H        ASP 124  27.235  -7.800   4.347
  791    HA   ASP 124           HA       ASP 124  27.393  -7.381   7.138
  792   1HB   ASP 124          1HB       ASP 124  26.355  -5.914   5.177
  793   2HB   ASP 124          2HB       ASP 124  24.849  -6.674   5.676
  794    H    LEU 125           H        LEU 125  25.127  -9.366   5.219
  795    HA   LEU 125           HA       LEU 125  23.446 -10.018   7.457
  796   1HB   LEU 125          1HB       LEU 125  23.199 -10.440   4.788
  797   2HB   LEU 125          2HB       LEU 125  23.736 -12.043   5.266
  798    HG   LEU 125           HG       LEU 125  21.921 -12.052   7.016
  799   1HD1  LEU 125          1HD1      LEU 125  21.403  -9.373   5.783
  800   2HD1  LEU 125          2HD1      LEU 125  21.157  -9.915   7.438
  801   3HD1  LEU 125          3HD1      LEU 125  19.994 -10.347   6.194
  802   1HD2  LEU 125          1HD2      LEU 125  21.017 -11.710   4.144
  803   2HD2  LEU 125          2HD2      LEU 125  20.156 -12.591   5.407
  804   3HD2  LEU 125          3HD2      LEU 125  21.713 -13.180   4.824
  805    H    ARG 126           H        ARG 126  26.485 -11.357   6.266
  806    HA   ARG 126           HA       ARG 126  26.463 -13.784   7.800
  807   1HB   ARG 126          1HB       ARG 126  28.114 -13.105   5.958
  808   2HB   ARG 126          2HB       ARG 126  28.895 -12.084   7.161
  809   1HG   ARG 126          1HG       ARG 126  30.151 -14.028   7.395
  810   2HG   ARG 126          2HG       ARG 126  28.903 -14.317   8.603
  811   1HD   ARG 126          1HD       ARG 126  27.607 -15.456   6.632
  812   2HD   ARG 126          2HD       ARG 126  29.182 -15.504   5.848
  813    HE   ARG 126           HE       ARG 126  29.630 -16.566   8.383
  814   1HH1  ARG 126          1HH1      ARG 126  27.556 -17.163   5.694
  815   2HH1  ARG 126          2HH1      ARG 126  27.453 -18.868   5.982
  816   1HH2  ARG 126          1HH2      ARG 126  29.507 -18.789   8.775
  817   2HH2  ARG 126          2HH2      ARG 126  28.557 -19.789   7.727
  818    H    VAL 127           H        VAL 127  27.331 -10.448   8.610
  819    HA   VAL 127           HA       VAL 127  28.545 -10.954  11.133
  820    HB   VAL 127           HB       VAL 127  26.855  -8.582  10.278
  821   1HG1  VAL 127          1HG1      VAL 127  28.218  -7.417  12.049
  822   2HG1  VAL 127          2HG1      VAL 127  28.821  -8.997  12.548
  823   3HG1  VAL 127          3HG1      VAL 127  27.104  -8.624  12.691
  824   1HG2  VAL 127          1HG2      VAL 127  29.830  -9.152  10.138
  825   2HG2  VAL 127          2HG2      VAL 127  29.117  -7.562   9.864
  826   3HG2  VAL 127          3HG2      VAL 127  28.739  -8.897   8.778
  827    H    TYR 128           H        TYR 128  25.155 -10.714  10.116
  828    HA   TYR 128           HA       TYR 128  24.215 -10.993  12.919
  829   1HB   TYR 128          1HB       TYR 128  22.703 -10.860  10.298
  830   2HB   TYR 128          2HB       TYR 128  21.950 -10.955  11.887
  831    HD1  TYR 128           HD1      TYR 128  22.300  -9.106  13.551
  832    HD2  TYR 128           HD2      TYR 128  23.578  -8.811   9.466
  833    HE1  TYR 128           HE1      TYR 128  22.460  -6.643  13.781
  834    HE2  TYR 128           HE2      TYR 128  23.740  -6.349   9.692
  835    HH   TYR 128           HH       TYR 128  22.647  -4.697  12.614
  836    H    LEU 129           H        LEU 129  23.988 -12.870   9.887
  837    HA   LEU 129           HA       LEU 129  23.255 -15.290  11.494
  838   1HB   LEU 129          1HB       LEU 129  22.690 -14.604   8.602
  839   2HB   LEU 129          2HB       LEU 129  22.183 -16.072   9.426
  840    HG   LEU 129           HG       LEU 129  21.303 -13.239  10.053
  841   1HD1  LEU 129          1HD1      LEU 129  19.985 -15.656   8.796
  842   2HD1  LEU 129          2HD1      LEU 129  20.116 -14.018   8.155
  843   3HD1  LEU 129          3HD1      LEU 129  19.035 -14.350   9.508
  844   1HD2  LEU 129          1HD2      LEU 129  20.938 -15.832  11.545
  845   2HD2  LEU 129          2HD2      LEU 129  19.678 -14.598  11.614
  846   3HD2  LEU 129          3HD2      LEU 129  21.305 -14.227  12.179
  847    H    GLY 130           H        GLY 130  25.995 -14.618  11.165
  848   1HA   GLY 130          1HA       GLY 130  27.176 -15.851   8.885
  849   2HA   GLY 130          2HA       GLY 130  28.006 -15.543  10.406
  850    H    ALA 131           H        ALA 131  25.114 -17.595   9.961
  851    HA   ALA 131           HA       ALA 131  26.721 -20.047  10.199
  852   1HB   ALA 131          1HB       ALA 131  25.253 -20.736  12.226
  853   2HB   ALA 131          2HB       ALA 131  24.953 -19.008  12.416
  854   3HB   ALA 131          3HB       ALA 131  26.597 -19.634  12.524
  855    H    SER 132           H        SER 132  23.365 -18.816  10.560
  856    HA   SER 132           HA       SER 132  22.408 -21.131   8.931
  857   1HB   SER 132          1HB       SER 132  20.284 -20.765   9.863
  858   2HB   SER 132          2HB       SER 132  21.364 -20.367  11.200
  859    HG   SER 132           HG       SER 132  21.056 -18.202   9.699
  860    H    THR 133           H        THR 133  23.869 -18.931   7.695
  861    HA   THR 133           HA       THR 133  21.978 -17.134   6.450
  862    HB   THR 133           HB       THR 133  24.522 -17.576   4.992
  863    HG1  THR 133           HG1      THR 133  24.871 -16.522   7.532
  864   1HG2  THR 133          1HG2      THR 133  23.723 -15.136   6.567
  865   2HG2  THR 133          2HG2      THR 133  22.931 -15.520   5.040
  866   3HG2  THR 133          3HG2      THR 133  24.670 -15.234   5.082
  867    HA   PRO 134           HA       PRO 134  20.840 -20.329   3.379
  868   1HB   PRO 134          1HB       PRO 134  18.782 -19.048   2.193
  869   2HB   PRO 134          2HB       PRO 134  18.645 -19.681   3.841
  870   1HG   PRO 134          1HG       PRO 134  19.214 -16.889   2.929
  871   2HG   PRO 134          2HG       PRO 134  18.081 -17.445   4.168
  872   1HD   PRO 134          1HD       PRO 134  20.593 -16.479   4.740
  873   2HD   PRO 134          2HD       PRO 134  19.759 -17.653   5.773
  874    H    ASP 135           H        ASP 135  20.192 -20.010   0.850
  875    HA   ASP 135           HA       ASP 135  22.366 -18.330  -0.357
  876   1HB   ASP 135          1HB       ASP 135  22.357 -20.897  -0.629
  877   2HB   ASP 135          2HB       ASP 135  20.958 -20.654  -1.671
  878    H    LEU 136           H        LEU 136  21.188 -16.446  -0.659
  879    HA   LEU 136           HA       LEU 136  18.506 -16.266  -1.596
  880   1HB   LEU 136          1HB       LEU 136  20.790 -14.302  -1.911
  881   2HB   LEU 136          2HB       LEU 136  19.092 -13.923  -2.183
  882    HG   LEU 136           HG       LEU 136  20.221 -14.946   0.440
  883   1HD1  LEU 136          1HD1      LEU 136  19.252 -12.149  -0.182
  884   2HD1  LEU 136          2HD1      LEU 136  20.948 -12.608  -0.313
  885   3HD1  LEU 136          3HD1      LEU 136  20.127 -12.699   1.245
  886   1HD2  LEU 136          1HD2      LEU 136  17.475 -14.166  -0.525
  887   2HD2  LEU 136          2HD2      LEU 136  17.903 -13.901   1.162
  888   3HD2  LEU 136          3HD2      LEU 136  17.955 -15.526   0.492
  889    H    GLN 137           H        GLN 137  17.623 -16.126  -3.611
  890    HA   GLN 137           HA       GLN 137  19.411 -16.394  -5.995
  891   1HB   GLN 137          1HB       GLN 137  16.737 -17.785  -5.699
  892   2HB   GLN 137          2HB       GLN 137  17.959 -18.046  -6.939
  893   1HG   GLN 137          1HG       GLN 137  18.151 -18.749  -4.002
  894   2HG   GLN 137          2HG       GLN 137  18.119 -19.867  -5.364
  895   1HE2  GLN 137          1HE2      GLN 137  20.283 -18.876  -3.191
  896   2HE2  GLN 137          2HE2      GLN 137  21.676 -18.747  -4.136
  897   1H5*  ATP   1          1H5*      ATP   1   9.539   1.446  19.696
  898   2H5*  ATP   1          2H5*      ATP   1  10.760   1.286  20.920
  899    H4*  ATP   1           H4*      ATP   1  11.048   3.583  18.937
  900    H3*  ATP   1           H3*      ATP   1  11.930   3.091  21.761
  901   *HO3  ATP   1          *HO3      ATP   1  13.181   3.726  19.952
  902    H2*  ATP   1           H2*      ATP   1  10.427   4.530  22.714
  903   *HO2  ATP   1          *HO2      ATP   1  12.291   5.856  21.342
  904    H1*  ATP   1           H1*      ATP   1   9.869   5.824  20.003
  905    H8   ATP   1           H8       ATP   1   7.836   7.378  20.394
  906    H2   ATP   1           H2       ATP   1   7.386   2.615  24.671
  907   1HN6  ATP   1          1HN6      ATP   1   3.685   4.989  24.421
  908   2HN6  ATP   1          2HN6      ATP   1   3.831   6.098  23.065
  Start of MODEL    4
    1   1H    GLY  17          1H        GLY  17  29.593  34.287  18.115
    2   2H    GLY  17          2H        GLY  17  30.118  35.891  18.309
    3   3H    GLY  17          3H        GLY  17  28.554  35.441  18.798
    4   1HA   GLY  17          1HA       GLY  17  31.123  34.592  20.018
    5   2HA   GLY  17          2HA       GLY  17  29.894  35.628  20.745
    6    H    ALA  18           H        ALA  18  27.565  34.273  20.076
    7    HA   ALA  18           HA       ALA  18  27.462  32.232  22.054
    8   1HB   ALA  18          1HB       ALA  18  25.255  31.639  20.760
    9   2HB   ALA  18          2HB       ALA  18  25.638  33.074  19.811
   10   3HB   ALA  18          3HB       ALA  18  25.386  33.210  21.550
   11    HA   PRO  19           HA       PRO  19  29.071  28.462  20.363
   12   1HB   PRO  19          1HB       PRO  19  26.214  27.510  20.474
   13   2HB   PRO  19          2HB       PRO  19  27.697  26.657  20.947
   14   1HG   PRO  19          1HG       PRO  19  26.116  27.838  22.762
   15   2HG   PRO  19          2HG       PRO  19  27.878  27.814  22.939
   16   1HD   PRO  19          1HD       PRO  19  26.096  30.105  22.298
   17   2HD   PRO  19          2HD       PRO  19  27.751  30.117  22.943
   18    H    GLU  20           H        GLU  20  29.582  28.138  18.234
   19    HA   GLU  20           HA       GLU  20  27.547  27.753  16.202
   20   1HB   GLU  20          1HB       GLU  20  28.121  29.709  14.818
   21   2HB   GLU  20          2HB       GLU  20  27.487  30.222  16.382
   22   1HG   GLU  20          1HG       GLU  20  29.902  30.361  17.178
   23   2HG   GLU  20          2HG       GLU  20  30.381  30.149  15.494
   24    H    GLY  21           H        GLY  21  28.634  27.454  14.007
   25   1HA   GLY  21          1HA       GLY  21  31.487  27.212  13.806
   26   2HA   GLY  21          2HA       GLY  21  30.784  25.638  14.178
   27    HA   PRO  22           HA       PRO  22  29.612  25.135   9.955
   28   1HB   PRO  22          1HB       PRO  22  27.141  23.998  10.056
   29   2HB   PRO  22          2HB       PRO  22  28.594  23.157  10.631
   30   1HG   PRO  22          1HG       PRO  22  26.513  24.632  12.200
   31   2HG   PRO  22          2HG       PRO  22  27.276  23.070  12.542
   32   1HD   PRO  22          1HD       PRO  22  28.065  25.424  13.738
   33   2HD   PRO  22          2HD       PRO  22  29.172  24.062  13.463
   34    H    GLY  23           H        GLY  23  27.815  25.631   8.265
   35   1HA   GLY  23          1HA       GLY  23  25.730  27.480   8.731
   36   2HA   GLY  23          2HA       GLY  23  27.178  28.421   8.376
   37    HA   PRO  24           HA       PRO  24  26.541  25.862   4.386
   38   1HB   PRO  24          1HB       PRO  24  24.624  23.935   4.292
   39   2HB   PRO  24          2HB       PRO  24  26.232  23.635   4.979
   40   1HG   PRO  24          1HG       PRO  24  23.659  24.247   6.382
   41   2HG   PRO  24          2HG       PRO  24  24.891  23.038   6.779
   42   1HD   PRO  24          1HD       PRO  24  24.720  25.485   8.038
   43   2HD   PRO  24          2HD       PRO  24  26.248  24.598   7.851
   44    H    SER  25           H        SER  25  25.482  26.872   2.705
   45    HA   SER  25           HA       SER  25  23.142  28.493   3.253
   46   1HB   SER  25          1HB       SER  25  24.503  27.795   0.632
   47   2HB   SER  25          2HB       SER  25  23.256  29.027   0.826
   48    HG   SER  25           HG       SER  25  25.705  28.983   2.249
   49    H    GLY  26           H        GLY  26  22.671  25.689   3.740
   50   1HA   GLY  26          1HA       GLY  26  21.267  24.448   1.566
   51   2HA   GLY  26          2HA       GLY  26  21.078  24.029   3.269
   52    H    GLY  27           H        GLY  27  19.795  25.907   0.628
   53   1HA   GLY  27          1HA       GLY  27  17.984  27.568   2.076
   54   2HA   GLY  27          2HA       GLY  27  17.763  27.057   0.402
   55    H    ALA  28           H        ALA  28  16.734  24.946   0.040
   56    HA   ALA  28           HA       ALA  28  14.582  24.466   1.958
   57   1HB   ALA  28          1HB       ALA  28  13.855  22.747   0.316
   58   2HB   ALA  28          2HB       ALA  28  15.336  23.021  -0.602
   59   3HB   ALA  28          3HB       ALA  28  14.141  24.309  -0.452
   60    H    GLN  29           H        GLN  29  17.197  22.424   0.598
   61    HA   GLN  29           HA       GLN  29  17.386  21.028   3.223
   62   1HB   GLN  29          1HB       GLN  29  16.791  19.735   0.553
   63   2HB   GLN  29          2HB       GLN  29  17.546  18.834   1.869
   64   1HG   GLN  29          1HG       GLN  29  14.952  20.365   2.189
   65   2HG   GLN  29          2HG       GLN  29  15.016  18.656   1.763
   66   1HE2  GLN  29          1HE2      GLN  29  13.859  19.615   4.243
   67   2HE2  GLN  29          2HE2      GLN  29  14.817  19.032   5.518
   68    H    GLY  30           H        GLY  30  18.845  19.474   0.551
   69   1HA   GLY  30          1HA       GLY  30  21.147  20.843  -0.067
   70   2HA   GLY  30          2HA       GLY  30  21.504  20.189   1.532
   71    H    GLY  31           H        GLY  31  22.924  18.535   1.064
   72   1HA   GLY  31          1HA       GLY  31  23.442  16.304   0.466
   73   2HA   GLY  31          2HA       GLY  31  21.848  16.170  -0.275
   74    H    SER  32           H        SER  32  22.862  15.161  -2.144
   75    HA   SER  32           HA       SER  32  23.662  17.123  -4.157
   76   1HB   SER  32          1HB       SER  32  25.623  15.024  -3.186
   77   2HB   SER  32          2HB       SER  32  25.813  15.932  -4.686
   78    HG   SER  32           HG       SER  32  25.272  17.460  -2.465
   79    H    ILE  33           H        ILE  33  23.036  16.393  -6.162
   80    HA   ILE  33           HA       ILE  33  21.768  13.731  -6.297
   81    HB   ILE  33           HB       ILE  33  21.297  14.579  -8.727
   82   1HG1  ILE  33          1HG1      ILE  33  23.104  16.481  -8.256
   83   2HG1  ILE  33          2HG1      ILE  33  21.693  16.811  -9.252
   84   1HG2  ILE  33          1HG2      ILE  33  19.463  16.117  -7.799
   85   2HG2  ILE  33          2HG2      ILE  33  20.128  15.755  -6.206
   86   3HG2  ILE  33          3HG2      ILE  33  19.489  14.454  -7.211
   87   1HD1  ILE  33          1HD1      ILE  33  22.363  18.460  -7.296
   88   2HD1  ILE  33          2HD1      ILE  33  21.493  17.303  -6.294
   89   3HD1  ILE  33          3HD1      ILE  33  20.668  18.110  -7.624
   90    H    HIS  34           H        HIS  34  23.656  12.383  -6.204
   91    HA   HIS  34           HA       HIS  34  24.822  11.809  -8.783
   92   1HB   HIS  34          1HB       HIS  34  26.143  13.841  -8.065
   93   2HB   HIS  34          2HB       HIS  34  26.732  12.897  -6.696
   94    HD1  HIS  34           HD1      HIS  34  28.111  10.678  -7.323
   95    HD2  HIS  34           HD2      HIS  34  27.466  13.335 -10.470
   96    HE1  HIS  34           HE1      HIS  34  29.730  10.023  -9.157
   97    H    SER  35           H        SER  35  23.792   9.805  -7.926
   98    HA   SER  35           HA       SER  35  25.766   8.040  -6.773
   99   1HB   SER  35          1HB       SER  35  24.989   9.272  -4.728
  100   2HB   SER  35          2HB       SER  35  23.362   8.664  -5.034
  101    HG   SER  35           HG       SER  35  24.709   7.397  -3.561
  102    H    GLY  36           H        GLY  36  22.574   8.721  -7.952
  103   1HA   GLY  36          1HA       GLY  36  21.148   7.337  -9.219
  104   2HA   GLY  36          2HA       GLY  36  22.376   6.074  -9.131
  105    H    ARG  37           H        ARG  37  22.631   5.333  -6.638
  106    HA   ARG  37           HA       ARG  37  20.378   3.826  -5.954
  107   1HB   ARG  37          1HB       ARG  37  22.552   3.401  -4.936
  108   2HB   ARG  37          2HB       ARG  37  22.509   4.963  -4.118
  109   1HG   ARG  37          1HG       ARG  37  20.711   4.288  -2.707
  110   2HG   ARG  37          2HG       ARG  37  20.364   2.872  -3.700
  111   1HD   ARG  37          1HD       ARG  37  21.561   2.178  -1.683
  112   2HD   ARG  37          2HD       ARG  37  22.599   1.944  -3.090
  113    HE   ARG  37           HE       ARG  37  22.989   4.542  -1.835
  114   1HH1  ARG  37          1HH1      ARG  37  23.739   1.177  -1.798
  115   2HH1  ARG  37          2HH1      ARG  37  25.265   1.390  -1.008
  116   1HH2  ARG  37          1HH2      ARG  37  24.978   4.839  -0.803
  117   2HH2  ARG  37          2HH2      ARG  37  25.966   3.463  -0.444
  118    H    ILE  38           H        ILE  38  18.886   4.110  -4.074
  119    HA   ILE  38           HA       ILE  38  18.374   6.944  -3.304
  120    HB   ILE  38           HB       ILE  38  16.254   5.110  -4.485
  121   1HG1  ILE  38          1HG1      ILE  38  17.720   7.525  -5.576
  122   2HG1  ILE  38          2HG1      ILE  38  17.726   5.890  -6.235
  123   1HG2  ILE  38          1HG2      ILE  38  14.736   6.955  -4.242
  124   2HG2  ILE  38          2HG2      ILE  38  16.035   8.056  -3.792
  125   3HG2  ILE  38          3HG2      ILE  38  15.532   6.783  -2.681
  126   1HD1  ILE  38          1HD1      ILE  38  16.188   7.068  -7.603
  127   2HD1  ILE  38          2HD1      ILE  38  15.461   7.888  -6.222
  128   3HD1  ILE  38          3HD1      ILE  38  15.173   6.167  -6.477
  129    H    ALA  39           H        ALA  39  18.851   6.521  -1.171
  130    HA   ALA  39           HA       ALA  39  17.416   4.289   0.206
  131   1HB   ALA  39          1HB       ALA  39  18.972   4.971   2.121
  132   2HB   ALA  39          2HB       ALA  39  19.783   6.016   0.955
  133   3HB   ALA  39          3HB       ALA  39  19.749   4.271   0.700
  134    H    ALA  40           H        ALA  40  15.423   4.960   0.882
  135    HA   ALA  40           HA       ALA  40  15.267   7.312   2.660
  136   1HB   ALA  40          1HB       ALA  40  14.832   7.941   0.146
  137   2HB   ALA  40          2HB       ALA  40  13.747   8.559   1.389
  138   3HB   ALA  40          3HB       ALA  40  13.269   7.172   0.410
  139    H    VAL  41           H        VAL  41  12.671   7.497   3.162
  140    HA   VAL  41           HA       VAL  41  12.038   4.992   4.501
  141    HB   VAL  41           HB       VAL  41  10.435   7.545   4.184
  142   1HG1  VAL  41          1HG1      VAL  41  10.030   5.148   5.992
  143   2HG1  VAL  41          2HG1      VAL  41   8.937   5.713   4.726
  144   3HG1  VAL  41          3HG1      VAL  41   9.185   6.683   6.175
  145   1HG2  VAL  41          1HG2      VAL  41  12.289   6.508   6.341
  146   2HG2  VAL  41          2HG2      VAL  41  11.164   7.842   6.601
  147   3HG2  VAL  41          3HG2      VAL  41  12.454   7.998   5.412
  148    H    HIS  42           H        HIS  42  10.366   3.556   3.975
  149    HA   HIS  42           HA       HIS  42   8.670   4.070   1.607
  150   1HB   HIS  42          1HB       HIS  42  10.875   2.027   1.745
  151   2HB   HIS  42          2HB       HIS  42   9.443   1.686   0.779
  152    HD1  HIS  42           HD1      HIS  42   9.390   2.635  -1.519
  153    HD2  HIS  42           HD2      HIS  42  12.221   4.544   0.864
  154    HE1  HIS  42           HE1      HIS  42  10.679   4.187  -3.042
  155    H    ASN  43           H        ASN  43   6.762   2.857   1.693
  156    HA   ASN  43           HA       ASN  43   6.207   1.467   4.216
  157   1HB   ASN  43          1HB       ASN  43   4.566   2.004   1.723
  158   2HB   ASN  43          2HB       ASN  43   3.947   1.104   3.105
  159   1HD2  ASN  43          1HD2      ASN  43   2.608   3.443   2.540
  160   2HD2  ASN  43          2HD2      ASN  43   3.012   4.649   3.660
  161    H    VAL  44           H        VAL  44   7.518  -0.407   4.154
  162    HA   VAL  44           HA       VAL  44   7.433  -2.155   1.801
  163    HB   VAL  44           HB       VAL  44   9.482  -1.738   3.281
  164   1HG1  VAL  44          1HG1      VAL  44   9.728  -2.960   5.293
  165   2HG1  VAL  44          2HG1      VAL  44   8.272  -3.909   4.994
  166   3HG1  VAL  44          3HG1      VAL  44   8.141  -2.203   5.419
  167   1HG2  VAL  44          1HG2      VAL  44   8.623  -4.588   2.715
  168   2HG2  VAL  44          2HG2      VAL  44  10.280  -4.059   2.995
  169   3HG2  VAL  44          3HG2      VAL  44   9.407  -3.500   1.569
  170    HA   PRO  45           HA       PRO  45   3.657  -4.237   3.228
  171   1HB   PRO  45          1HB       PRO  45   4.932  -6.540   1.785
  172   2HB   PRO  45          2HB       PRO  45   3.256  -5.961   1.718
  173   1HG   PRO  45          1HG       PRO  45   4.974  -5.415  -0.235
  174   2HG   PRO  45          2HG       PRO  45   3.794  -4.212   0.307
  175   1HD   PRO  45          1HD       PRO  45   6.745  -4.316   0.798
  176   2HD   PRO  45          2HD       PRO  45   5.677  -2.909   0.635
  177    H    LEU  46           H        LEU  46   3.140  -5.498   4.981
  178    HA   LEU  46           HA       LEU  46   5.226  -6.391   6.754
  179   1HB   LEU  46          1HB       LEU  46   2.277  -7.060   6.695
  180   2HB   LEU  46          2HB       LEU  46   3.355  -7.405   8.033
  181    HG   LEU  46           HG       LEU  46   3.211  -4.566   7.056
  182   1HD1  LEU  46          1HD1      LEU  46   0.878  -5.149   7.157
  183   2HD1  LEU  46          2HD1      LEU  46   1.267  -4.188   8.585
  184   3HD1  LEU  46          3HD1      LEU  46   1.094  -5.937   8.719
  185   1HD2  LEU  46          1HD2      LEU  46   3.548  -5.907   9.757
  186   2HD2  LEU  46          2HD2      LEU  46   3.355  -4.172   9.559
  187   3HD2  LEU  46          3HD2      LEU  46   4.754  -4.981   8.864
  188    H    SER  47           H        SER  47   3.286  -7.913   4.274
  189    HA   SER  47           HA       SER  47   3.799 -10.633   5.074
  190   1HB   SER  47          1HB       SER  47   1.938  -9.731   3.546
  191   2HB   SER  47          2HB       SER  47   3.138  -9.792   2.256
  192    HG   SER  47           HG       SER  47   3.466 -12.016   2.857
  193    H    VAL  48           H        VAL  48   5.914  -8.391   3.488
  194    HA   VAL  48           HA       VAL  48   7.531 -10.684   2.413
  195    HB   VAL  48           HB       VAL  48   8.478  -9.196   0.824
  196   1HG1  VAL  48          1HG1      VAL  48   5.509  -8.689   1.092
  197   2HG1  VAL  48          2HG1      VAL  48   6.284  -9.982   0.181
  198   3HG1  VAL  48          3HG1      VAL  48   6.456  -8.307  -0.344
  199   1HG2  VAL  48          1HG2      VAL  48   7.775  -6.758   0.789
  200   2HG2  VAL  48          2HG2      VAL  48   8.864  -7.209   2.098
  201   3HG2  VAL  48          3HG2      VAL  48   7.144  -7.004   2.413
  202    H    LEU  49           H        LEU  49   7.500  -9.553   5.239
  203    HA   LEU  49           HA       LEU  49  10.258  -8.455   5.426
  204   1HB   LEU  49          1HB       LEU  49   8.046  -8.847   7.462
  205   2HB   LEU  49          2HB       LEU  49   9.662  -8.298   7.889
  206    HG   LEU  49           HG       LEU  49   7.833  -6.897   5.914
  207   1HD1  LEU  49          1HD1      LEU  49   7.112  -6.907   8.362
  208   2HD1  LEU  49          2HD1      LEU  49   7.373  -5.314   7.654
  209   3HD1  LEU  49          3HD1      LEU  49   8.595  -6.019   8.710
  210   1HD2  LEU  49          1HD2      LEU  49  10.632  -6.412   6.899
  211   2HD2  LEU  49          2HD2      LEU  49   9.609  -5.015   6.574
  212   3HD2  LEU  49          3HD2      LEU  49   9.954  -6.168   5.290
  213    H    ILE  50           H        ILE  50  11.934  -9.703   6.096
  214    HA   ILE  50           HA       ILE  50  11.375 -12.558   6.761
  215    HB   ILE  50           HB       ILE  50  13.939 -11.143   5.975
  216   1HG1  ILE  50          1HG1      ILE  50  12.303 -13.217   4.492
  217   2HG1  ILE  50          2HG1      ILE  50  12.157 -11.483   4.209
  218   1HG2  ILE  50          1HG2      ILE  50  14.539 -12.962   7.411
  219   2HG2  ILE  50          2HG2      ILE  50  14.754 -13.556   5.766
  220   3HG2  ILE  50          3HG2      ILE  50  13.326 -14.019   6.691
  221   1HD1  ILE  50          1HD1      ILE  50  14.595 -13.225   3.780
  222   2HD1  ILE  50          2HD1      ILE  50  14.667 -11.463   3.779
  223   3HD1  ILE  50          3HD1      ILE  50  13.700 -12.306   2.572
  224    H    ARG  51           H        ARG  51  11.294 -13.019   8.883
  225    HA   ARG  51           HA       ARG  51  13.206 -11.660  10.753
  226   1HB   ARG  51          1HB       ARG  51  10.306 -12.336  11.320
  227   2HB   ARG  51          2HB       ARG  51  11.441 -11.591  12.445
  228   1HG   ARG  51          1HG       ARG  51  11.727  -9.752  10.670
  229   2HG   ARG  51          2HG       ARG  51  10.293 -10.424   9.902
  230   1HD   ARG  51          1HD       ARG  51   8.969 -10.047  11.896
  231   2HD   ARG  51          2HD       ARG  51  10.392  -9.544  12.803
  232    HE   ARG  51           HE       ARG  51   8.944  -7.929  10.809
  233   1HH1  ARG  51          1HH1      ARG  51  11.788  -8.444  12.702
  234   2HH1  ARG  51          2HH1      ARG  51  12.293  -6.790  12.625
  235   1HH2  ARG  51          1HH2      ARG  51   9.597  -5.773  10.700
  236   2HH2  ARG  51          2HH2      ARG  51  11.056  -5.280  11.492
  237    HA   PRO  52           HA       PRO  52  13.449 -16.179  11.575
  238   1HB   PRO  52          1HB       PRO  52  16.058 -16.537  11.268
  239   2HB   PRO  52          2HB       PRO  52  15.059 -16.163   9.848
  240   1HG   PRO  52          1HG       PRO  52  16.850 -14.362  11.437
  241   2HG   PRO  52          2HG       PRO  52  16.627 -14.456   9.685
  242   1HD   PRO  52          1HD       PRO  52  15.323 -12.628  11.432
  243   2HD   PRO  52          2HD       PRO  52  14.863 -12.962   9.750
  244    H    LEU  53           H        LEU  53  13.610 -13.798  13.555
  245    HA   LEU  53           HA       LEU  53  15.104 -15.255  15.686
  246   1HB   LEU  53          1HB       LEU  53  15.809 -12.712  14.471
  247   2HB   LEU  53          2HB       LEU  53  15.450 -12.460  16.173
  248    HG   LEU  53           HG       LEU  53  17.076 -14.215  16.786
  249   1HD1  LEU  53          1HD1      LEU  53  17.260 -15.786  15.091
  250   2HD1  LEU  53          2HD1      LEU  53  18.669 -14.807  14.707
  251   3HD1  LEU  53          3HD1      LEU  53  17.170 -14.578  13.809
  252   1HD2  LEU  53          1HD2      LEU  53  17.669 -11.697  16.228
  253   2HD2  LEU  53          2HD2      LEU  53  18.541 -12.412  14.870
  254   3HD2  LEU  53          3HD2      LEU  53  18.962 -12.862  16.520
  255    HA   PRO  54           HA       PRO  54  11.029 -14.137  17.409
  256   1HB   PRO  54          1HB       PRO  54  11.006 -15.852  19.521
  257   2HB   PRO  54          2HB       PRO  54  10.721 -16.396  17.857
  258   1HG   PRO  54          1HG       PRO  54  13.201 -16.570  19.514
  259   2HG   PRO  54          2HG       PRO  54  12.499 -17.766  18.412
  260   1HD   PRO  54          1HD       PRO  54  14.606 -16.086  17.750
  261   2HD   PRO  54          2HD       PRO  54  13.511 -16.813  16.553
  262    H    SER  55           H        SER  55  10.283 -13.210  19.549
  263    HA   SER  55           HA       SER  55  12.451 -12.340  21.377
  264   1HB   SER  55          1HB       SER  55  10.848 -10.517  19.598
  265   2HB   SER  55          2HB       SER  55  11.438  -9.934  21.151
  266    HG   SER  55           HG       SER  55  13.510 -11.003  20.258
  267    H    VAL  56           H        VAL  56  11.517 -11.179  23.281
  268    HA   VAL  56           HA       VAL  56   8.907 -12.391  24.040
  269    HB   VAL  56           HB       VAL  56  11.029 -10.978  25.692
  270   1HG1  VAL  56          1HG1      VAL  56   8.894 -10.630  26.742
  271   2HG1  VAL  56          2HG1      VAL  56   9.675 -11.954  27.607
  272   3HG1  VAL  56          3HG1      VAL  56   8.405 -12.296  26.433
  273   1HG2  VAL  56          1HG2      VAL  56  10.277 -13.886  25.304
  274   2HG2  VAL  56          2HG2      VAL  56  11.276 -13.323  26.644
  275   3HG2  VAL  56          3HG2      VAL  56  11.836 -13.127  24.983
  276    H    LEU  57           H        LEU  57   7.221 -11.085  23.472
  277    HA   LEU  57           HA       LEU  57   7.569  -8.159  23.408
  278   1HB   LEU  57          1HB       LEU  57   5.139  -9.834  22.790
  279   2HB   LEU  57          2HB       LEU  57   5.323  -8.121  22.452
  280    HG   LEU  57           HG       LEU  57   7.130 -10.285  21.320
  281   1HD1  LEU  57          1HD1      LEU  57   5.891  -9.661  19.165
  282   2HD1  LEU  57          2HD1      LEU  57   4.697  -8.871  20.197
  283   3HD1  LEU  57          3HD1      LEU  57   4.972 -10.609  20.336
  284   1HD2  LEU  57          1HD2      LEU  57   8.385  -8.322  21.229
  285   2HD2  LEU  57          2HD2      LEU  57   6.968  -7.290  21.048
  286   3HD2  LEU  57          3HD2      LEU  57   7.541  -8.251  19.685
  287    H    ASP  58           H        ASP  58   6.456  -6.731  24.635
  288    HA   ASP  58           HA       ASP  58   5.283  -7.753  27.175
  289   1HB   ASP  58          1HB       ASP  58   7.145  -6.268  27.531
  290   2HB   ASP  58          2HB       ASP  58   6.525  -5.106  26.383
  291    HA   PRO  59           HA       PRO  59   1.411  -6.326  25.354
  292   1HB   PRO  59          1HB       PRO  59  -0.239  -6.560  27.517
  293   2HB   PRO  59          2HB       PRO  59   0.375  -7.965  26.625
  294   1HG   PRO  59          1HG       PRO  59   1.342  -6.789  29.201
  295   2HG   PRO  59          2HG       PRO  59   1.117  -8.482  28.756
  296   1HD   PRO  59          1HD       PRO  59   3.573  -7.240  28.717
  297   2HD   PRO  59          2HD       PRO  59   3.160  -8.604  27.656
  298    H    ALA  60           H        ALA  60   2.803  -4.781  28.180
  299    HA   ALA  60           HA       ALA  60   0.926  -2.526  28.109
  300   1HB   ALA  60          1HB       ALA  60   2.167  -3.385  30.183
  301   2HB   ALA  60          2HB       ALA  60   2.191  -1.640  29.928
  302   3HB   ALA  60          3HB       ALA  60   3.604  -2.611  29.514
  303    H    LYS  61           H        LYS  61   4.162  -3.270  26.931
  304    HA   LYS  61           HA       LYS  61   4.726  -0.569  26.085
  305   1HB   LYS  61          1HB       LYS  61   6.236  -2.800  26.553
  306   2HB   LYS  61          2HB       LYS  61   6.183  -2.834  24.804
  307   1HG   LYS  61          1HG       LYS  61   6.983  -0.482  24.756
  308   2HG   LYS  61          2HG       LYS  61   7.051  -0.504  26.518
  309   1HD   LYS  61          1HD       LYS  61   8.609  -2.513  26.305
  310   2HD   LYS  61          2HD       LYS  61   8.698  -2.147  24.582
  311   1HE   LYS  61          1HE       LYS  61   9.529   0.113  25.093
  312   2HE   LYS  61          2HE       LYS  61   9.410  -0.225  26.820
  313   1HZ   LYS  61          1HZ       LYS  61  10.889  -2.251  26.175
  314   2HZ   LYS  61          2HZ       LYS  61  11.589  -0.723  26.421
  315   3HZ   LYS  61          3HZ       LYS  61  11.302  -1.285  24.844
  316    H    VAL  62           H        VAL  62   3.205  -3.385  24.578
  317    HA   VAL  62           HA       VAL  62   3.354  -2.321  21.875
  318    HB   VAL  62           HB       VAL  62   1.630  -4.473  23.148
  319   1HG1  VAL  62          1HG1      VAL  62   0.338  -3.637  21.314
  320   2HG1  VAL  62          2HG1      VAL  62   1.156  -5.079  20.715
  321   3HG1  VAL  62          3HG1      VAL  62   1.766  -3.478  20.293
  322   1HG2  VAL  62          1HG2      VAL  62   4.072  -4.928  22.891
  323   2HG2  VAL  62          2HG2      VAL  62   3.919  -4.626  21.162
  324   3HG2  VAL  62          3HG2      VAL  62   3.079  -5.992  21.896
  325    H    GLN  63           H        GLN  63   0.765  -2.568  24.313
  326    HA   GLN  63           HA       GLN  63  -1.274  -1.192  22.969
  327   1HB   GLN  63          1HB       GLN  63  -0.475  -1.379  25.870
  328   2HB   GLN  63          2HB       GLN  63  -1.838  -0.370  25.395
  329   1HG   GLN  63          1HG       GLN  63  -2.353  -2.793  26.077
  330   2HG   GLN  63          2HG       GLN  63  -3.072  -2.219  24.576
  331   1HE2  GLN  63          1HE2      GLN  63  -1.620  -4.888  25.842
  332   2HE2  GLN  63          2HE2      GLN  63  -0.877  -5.517  24.452
  333    H    SER  64           H        SER  64   1.492   0.132  24.773
  334    HA   SER  64           HA       SER  64   0.732   2.878  24.611
  335   1HB   SER  64          1HB       SER  64   2.569   2.039  26.056
  336   2HB   SER  64          2HB       SER  64   3.528   1.699  24.615
  337    HG   SER  64           HG       SER  64   4.172   3.679  25.022
  338    H    LEU  65           H        LEU  65   2.581   0.809  22.379
  339    HA   LEU  65           HA       LEU  65   3.100   2.967  20.511
  340   1HB   LEU  65          1HB       LEU  65   3.506   0.009  20.628
  341   2HB   LEU  65          2HB       LEU  65   3.456   0.719  19.022
  342    HG   LEU  65           HG       LEU  65   5.180   1.989  21.149
  343   1HD1  LEU  65          1HD1      LEU  65   7.066   0.539  20.161
  344   2HD1  LEU  65          2HD1      LEU  65   5.779  -0.512  19.569
  345   3HD1  LEU  65          3HD1      LEU  65   5.969  -0.240  21.300
  346   1HD2  LEU  65          1HD2      LEU  65   6.539   2.578  19.144
  347   2HD2  LEU  65          2HD2      LEU  65   4.885   3.177  19.026
  348   3HD2  LEU  65          3HD2      LEU  65   5.367   1.738  18.129
  349    H    VAL  66           H        VAL  66   0.776   0.259  20.621
  350    HA   VAL  66           HA       VAL  66  -0.552   0.757  18.181
  351    HB   VAL  66           HB       VAL  66  -1.520  -0.320  20.839
  352   1HG1  VAL  66          1HG1      VAL  66  -3.442  -1.246  19.455
  353   2HG1  VAL  66          2HG1      VAL  66  -2.982  -0.086  18.210
  354   3HG1  VAL  66          3HG1      VAL  66  -3.507   0.483  19.793
  355   1HG2  VAL  66          1HG2      VAL  66   0.211  -1.551  19.409
  356   2HG2  VAL  66          2HG2      VAL  66  -1.079  -1.765  18.224
  357   3HG2  VAL  66          3HG2      VAL  66  -1.236  -2.463  19.836
  358    H    ASP  67           H        ASP  67  -0.831   2.311  21.334
  359    HA   ASP  67           HA       ASP  67  -3.155   3.908  20.618
  360   1HB   ASP  67          1HB       ASP  67  -1.181   3.867  22.898
  361   2HB   ASP  67          2HB       ASP  67  -2.298   5.213  22.726
  362    H    THR  68           H        THR  68   0.359   4.336  20.522
  363    HA   THR  68           HA       THR  68   0.320   7.163  20.024
  364    HB   THR  68           HB       THR  68   2.428   5.245  19.015
  365    HG1  THR  68           HG1      THR  68   1.656   5.064  21.339
  366   1HG2  THR  68          1HG2      THR  68   2.609   8.048  20.145
  367   2HG2  THR  68          2HG2      THR  68   2.541   7.678  18.423
  368   3HG2  THR  68          3HG2      THR  68   3.909   7.127  19.389
  369    H    ILE  69           H        ILE  69   0.656   4.374  17.816
  370    HA   ILE  69           HA       ILE  69   0.670   5.856  15.397
  371    HB   ILE  69           HB       ILE  69  -0.490   3.088  15.852
  372   1HG1  ILE  69          1HG1      ILE  69   2.345   4.062  15.392
  373   2HG1  ILE  69          2HG1      ILE  69   1.748   3.109  16.744
  374   1HG2  ILE  69          1HG2      ILE  69  -0.931   4.260  13.619
  375   2HG2  ILE  69          2HG2      ILE  69  -0.077   2.726  13.506
  376   3HG2  ILE  69          3HG2      ILE  69   0.813   4.241  13.366
  377   1HD1  ILE  69          1HD1      ILE  69   2.873   1.562  15.322
  378   2HD1  ILE  69          2HD1      ILE  69   2.105   2.221  13.878
  379   3HD1  ILE  69          3HD1      ILE  69   1.153   1.303  15.043
  380    H    ARG  70           H        ARG  70  -2.034   4.571  17.311
  381    HA   ARG  70           HA       ARG  70  -4.041   5.495  15.412
  382   1HB   ARG  70          1HB       ARG  70  -4.013   4.112  18.051
  383   2HB   ARG  70          2HB       ARG  70  -5.448   5.074  17.737
  384   1HG   ARG  70          1HG       ARG  70  -5.704   3.872  15.546
  385   2HG   ARG  70          2HG       ARG  70  -4.352   2.837  16.008
  386   1HD   ARG  70          1HD       ARG  70  -6.571   1.818  16.542
  387   2HD   ARG  70          2HD       ARG  70  -5.576   2.062  17.977
  388    HE   ARG  70           HE       ARG  70  -7.320   4.326  17.476
  389   1HH1  ARG  70          1HH1      ARG  70  -7.077   1.126  18.737
  390   2HH1  ARG  70          2HH1      ARG  70  -8.384   1.325  19.856
  391   1HH2  ARG  70          1HH2      ARG  70  -9.029   4.604  18.929
  392   2HH2  ARG  70          2HH2      ARG  70  -9.489   3.294  19.964
  393    H    GLU  71           H        GLU  71  -2.565   6.829  18.342
  394    HA   GLU  71           HA       GLU  71  -4.479   9.076  18.389
  395   1HB   GLU  71          1HB       GLU  71  -3.534   8.005  20.479
  396   2HB   GLU  71          2HB       GLU  71  -1.976   8.711  20.052
  397   1HG   GLU  71          1HG       GLU  71  -2.975  10.959  20.078
  398   2HG   GLU  71          2HG       GLU  71  -4.547  10.264  20.472
  399    H    ASP  72           H        ASP  72  -1.127   8.460  17.464
  400    HA   ASP  72           HA       ASP  72  -1.103  10.959  15.925
  401   1HB   ASP  72          1HB       ASP  72  -0.420  11.475  18.358
  402   2HB   ASP  72          2HB       ASP  72   1.054  10.582  18.001
  403    HA   PRO  73           HA       PRO  73   1.450   7.604  14.067
  404   1HB   PRO  73          1HB       PRO  73   0.923   8.122  11.448
  405   2HB   PRO  73          2HB       PRO  73  -0.204   7.235  12.492
  406   1HG   PRO  73          1HG       PRO  73  -0.260  10.100  11.640
  407   2HG   PRO  73          2HG       PRO  73  -1.594   8.945  11.788
  408   1HD   PRO  73          1HD       PRO  73  -1.002  10.860  13.688
  409   2HD   PRO  73          2HD       PRO  73  -1.844   9.341  14.059
  410    H    ASP  74           H        ASP  74   1.832  10.935  14.127
  411    HA   ASP  74           HA       ASP  74   4.121  11.024  12.256
  412   1HB   ASP  74          1HB       ASP  74   4.261  13.430  13.197
  413   2HB   ASP  74          2HB       ASP  74   2.852  13.016  12.221
  414    H    SER  75           H        SER  75   3.555  11.233  15.778
  415    HA   SER  75           HA       SER  75   6.356  11.615  16.425
  416   1HB   SER  75          1HB       SER  75   4.486  12.238  17.962
  417   2HB   SER  75          2HB       SER  75   4.142  10.522  18.193
  418    HG   SER  75           HG       SER  75   5.500  11.252  19.824
  419    H    VAL  76           H        VAL  76   5.545   9.227  14.677
  420    HA   VAL  76           HA       VAL  76   6.893   7.105  16.310
  421    HB   VAL  76           HB       VAL  76   4.915   6.487  14.115
  422   1HG1  VAL  76          1HG1      VAL  76   5.445   4.956  16.669
  423   2HG1  VAL  76          2HG1      VAL  76   6.494   4.771  15.261
  424   3HG1  VAL  76          3HG1      VAL  76   4.783   4.366  15.145
  425   1HG2  VAL  76          1HG2      VAL  76   4.340   7.234  16.986
  426   2HG2  VAL  76          2HG2      VAL  76   3.230   6.255  16.027
  427   3HG2  VAL  76          3HG2      VAL  76   3.615   7.900  15.523
  428    HA   PRO  77           HA       PRO  77   9.410   7.799  12.550
  429   1HB   PRO  77          1HB       PRO  77  11.821   6.959  13.566
  430   2HB   PRO  77          2HB       PRO  77  11.156   8.579  13.824
  431   1HG   PRO  77          1HG       PRO  77  11.253   6.238  15.659
  432   2HG   PRO  77          2HG       PRO  77  11.347   7.965  16.032
  433   1HD   PRO  77          1HD       PRO  77   9.060   6.350  16.327
  434   2HD   PRO  77          2HD       PRO  77   9.060   8.126  16.287
  435    HA   PRO  78           HA       PRO  78   9.567   3.678  10.892
  436   1HB   PRO  78          1HB       PRO  78  11.466   3.901   8.955
  437   2HB   PRO  78          2HB       PRO  78   9.894   4.710   8.844
  438   1HG   PRO  78          1HG       PRO  78  12.547   5.819   9.672
  439   2HG   PRO  78          2HG       PRO  78  11.313   6.533   8.624
  440   1HD   PRO  78          1HD       PRO  78  11.617   7.211  11.273
  441   2HD   PRO  78          2HD       PRO  78  10.070   7.323  10.417
  442    H    ILE  79           H        ILE  79  11.103   1.823  10.401
  443    HA   ILE  79           HA       ILE  79  13.286   1.736  12.459
  444    HB   ILE  79           HB       ILE  79  13.016  -0.796  12.082
  445   1HG1  ILE  79          1HG1      ILE  79  10.331   0.039  10.962
  446   2HG1  ILE  79          2HG1      ILE  79  11.693  -0.345   9.910
  447   1HG2  ILE  79          1HG2      ILE  79  12.186   0.107  14.115
  448   2HG2  ILE  79          2HG2      ILE  79  10.832  -0.798  13.439
  449   3HG2  ILE  79          3HG2      ILE  79  10.877   0.959  13.295
  450   1HD1  ILE  79          1HD1      ILE  79  11.889  -2.561  11.029
  451   2HD1  ILE  79          2HD1      ILE  79  10.329  -2.343  10.234
  452   3HD1  ILE  79          3HD1      ILE  79  10.458  -2.176  11.985
  453    H    ASP  80           H        ASP  80  15.163   0.290  11.806
  454    HA   ASP  80           HA       ASP  80  15.991   0.998   9.044
  455   1HB   ASP  80          1HB       ASP  80  17.648   1.474  10.702
  456   2HB   ASP  80          2HB       ASP  80  17.479  -0.117  11.438
  457    H    VAL  81           H        VAL  81  16.270  -0.520   7.466
  458    HA   VAL  81           HA       VAL  81  16.002  -3.411   8.166
  459    HB   VAL  81           HB       VAL  81  14.261  -1.801   6.290
  460   1HG1  VAL  81          1HG1      VAL  81  14.969  -3.613   4.882
  461   2HG1  VAL  81          2HG1      VAL  81  13.379  -4.048   5.508
  462   3HG1  VAL  81          3HG1      VAL  81  14.825  -4.774   6.202
  463   1HG2  VAL  81          1HG2      VAL  81  13.740  -3.867   8.453
  464   2HG2  VAL  81          2HG2      VAL  81  12.486  -3.121   7.459
  465   3HG2  VAL  81          3HG2      VAL  81  13.442  -2.131   8.562
  466    H    LEU  82           H        LEU  82  17.293  -4.715   6.944
  467    HA   LEU  82           HA       LEU  82  19.205  -3.390   5.137
  468   1HB   LEU  82          1HB       LEU  82  19.008  -6.289   5.998
  469   2HB   LEU  82          2HB       LEU  82  20.372  -5.550   5.164
  470    HG   LEU  82           HG       LEU  82  19.403  -4.397   7.787
  471   1HD1  LEU  82          1HD1      LEU  82  21.399  -6.657   7.494
  472   2HD1  LEU  82          2HD1      LEU  82  19.767  -6.827   8.140
  473   3HD1  LEU  82          3HD1      LEU  82  20.954  -5.841   8.993
  474   1HD2  LEU  82          1HD2      LEU  82  22.074  -4.494   6.351
  475   2HD2  LEU  82          2HD2      LEU  82  21.830  -3.797   7.952
  476   3HD2  LEU  82          3HD2      LEU  82  21.035  -3.083   6.551
  477    H    TRP  83           H        TRP  83  19.017  -3.395   2.982
  478    HA   TRP  83           HA       TRP  83  16.985  -5.173   1.691
  479   1HB   TRP  83          1HB       TRP  83  16.570  -2.823   1.351
  480   2HB   TRP  83          2HB       TRP  83  18.240  -2.529   0.936
  481    HD1  TRP  83           HD1      TRP  83  16.659  -5.596  -0.629
  482    HE1  TRP  83           HE1      TRP  83  16.261  -5.144  -3.140
  483    HE3  TRP  83           HE3      TRP  83  17.686  -0.597  -0.796
  484    HZ2  TRP  83           HZ2      TRP  83  16.364  -2.949  -4.970
  485    HZ3  TRP  83           HZ3      TRP  83  17.530   0.647  -2.930
  486    HH2  TRP  83           HH2      TRP  83  16.879  -0.521  -5.016
  487    H    ILE  84           H        ILE  84  17.993  -6.991   0.887
  488    HA   ILE  84           HA       ILE  84  20.622  -6.634  -0.530
  489    HB   ILE  84           HB       ILE  84  19.786  -9.075   1.066
  490   1HG1  ILE  84          1HG1      ILE  84  21.585  -6.742   1.793
  491   2HG1  ILE  84          2HG1      ILE  84  20.080  -7.190   2.592
  492   1HG2  ILE  84          1HG2      ILE  84  22.525  -8.220   0.094
  493   2HG2  ILE  84          2HG2      ILE  84  21.473  -9.276  -0.851
  494   3HG2  ILE  84          3HG2      ILE  84  22.049  -9.795   0.731
  495   1HD1  ILE  84          1HD1      ILE  84  21.164  -9.446   3.078
  496   2HD1  ILE  84          2HD1      ILE  84  21.831  -8.069   3.956
  497   3HD1  ILE  84          3HD1      ILE  84  22.686  -8.722   2.559
  498    H    LYS  85           H        LYS  85  20.883  -7.764  -2.430
  499    HA   LYS  85           HA       LYS  85  18.404  -8.911  -3.621
  500   1HB   LYS  85          1HB       LYS  85  20.332  -7.021  -4.493
  501   2HB   LYS  85          2HB       LYS  85  20.639  -8.450  -5.470
  502   1HG   LYS  85          1HG       LYS  85  18.365  -8.468  -6.261
  503   2HG   LYS  85          2HG       LYS  85  17.909  -7.201  -5.135
  504   1HD   LYS  85          1HD       LYS  85  19.513  -5.660  -6.214
  505   2HD   LYS  85          2HD       LYS  85  19.939  -6.921  -7.368
  506   1HE   LYS  85          1HE       LYS  85  17.994  -5.024  -7.807
  507   2HE   LYS  85          2HE       LYS  85  18.048  -6.582  -8.621
  508   1HZ   LYS  85          1HZ       LYS  85  16.764  -7.356  -6.525
  509   2HZ   LYS  85          2HZ       LYS  85  15.944  -6.552  -7.775
  510   3HZ   LYS  85          3HZ       LYS  85  16.387  -5.711  -6.367
  511    H    GLY  86           H        GLY  86  18.589 -10.843  -4.935
  512   1HA   GLY  86          1HA       GLY  86  20.611 -12.746  -3.906
  513   2HA   GLY  86          2HA       GLY  86  19.136 -13.177  -4.745
  514    H    ALA  87           H        ALA  87  20.981 -14.505  -5.822
  515    HA   ALA  87           HA       ALA  87  22.779 -13.232  -7.653
  516   1HB   ALA  87          1HB       ALA  87  22.749 -15.605  -8.713
  517   2HB   ALA  87          2HB       ALA  87  21.693 -16.031  -7.364
  518   3HB   ALA  87          3HB       ALA  87  23.327 -15.445  -7.054
  519    H    GLN  88           H        GLN  88  19.411 -13.445  -7.800
  520    HA   GLN  88           HA       GLN  88  19.459 -13.038 -10.773
  521   1HB   GLN  88          1HB       GLN  88  17.227 -14.428  -9.280
  522   2HB   GLN  88          2HB       GLN  88  17.473 -14.337 -11.025
  523   1HG   GLN  88          1HG       GLN  88  19.707 -15.532 -10.616
  524   2HG   GLN  88          2HG       GLN  88  19.107 -15.867  -8.992
  525   1HE2  GLN  88          1HE2      GLN  88  19.374 -18.205 -10.010
  526   2HE2  GLN  88          2HE2      GLN  88  17.997 -18.828 -10.778
  527    H    GLY  89           H        GLY  89  19.502 -10.967  -8.760
  528   1HA   GLY  89          1HA       GLY  89  18.482  -8.878  -8.513
  529   2HA   GLY  89          2HA       GLY  89  17.337  -9.362  -9.747
  530    H    GLY  90           H        GLY  90  16.864 -11.806  -7.763
  531   1HA   GLY  90          1HA       GLY  90  14.397 -11.008  -6.756
  532   2HA   GLY  90          2HA       GLY  90  15.352 -12.303  -6.052
  533    H    ASP  91           H        ASP  91  14.069  -9.272  -5.508
  534    HA   ASP  91           HA       ASP  91  16.070  -8.287  -3.635
  535   1HB   ASP  91          1HB       ASP  91  13.239  -7.444  -4.273
  536   2HB   ASP  91          2HB       ASP  91  14.217  -6.652  -3.052
  537    H    TYR  92           H        TYR  92  16.153  -8.691  -1.491
  538    HA   TYR  92           HA       TYR  92  13.831 -10.058  -0.169
  539   1HB   TYR  92          1HB       TYR  92  16.791 -10.599   0.246
  540   2HB   TYR  92          2HB       TYR  92  15.478 -11.337   1.165
  541    HD1  TYR  92           HD1      TYR  92  17.143 -11.159  -2.133
  542    HD2  TYR  92           HD2      TYR  92  14.019 -13.017   0.157
  543    HE1  TYR  92           HE1      TYR  92  16.871 -12.871  -3.889
  544    HE2  TYR  92           HE2      TYR  92  13.748 -14.734  -1.608
  545    HH   TYR  92           HH       TYR  92  15.522 -15.691  -3.525
  546    H    PHE  93           H        PHE  93  13.494  -9.398   2.029
  547    HA   PHE  93           HA       PHE  93  15.036  -6.949   2.853
  548   1HB   PHE  93          1HB       PHE  93  12.098  -7.543   3.285
  549   2HB   PHE  93          2HB       PHE  93  12.944  -6.089   3.782
  550    HD1  PHE  93           HD1      PHE  93  11.398  -7.856   1.008
  551    HD2  PHE  93           HD2      PHE  93  13.930  -4.553   2.058
  552    HE1  PHE  93           HE1      PHE  93  11.047  -6.878  -1.242
  553    HE2  PHE  93           HE2      PHE  93  13.577  -3.574  -0.196
  554    HZ   PHE  93           HZ       PHE  93  12.142  -4.733  -1.845
  555    H    TYR  94           H        TYR  94  16.153  -7.304   4.636
  556    HA   TYR  94           HA       TYR  94  15.240  -9.344   6.613
  557   1HB   TYR  94          1HB       TYR  94  17.875  -8.443   5.562
  558   2HB   TYR  94          2HB       TYR  94  17.835  -8.745   7.294
  559    HD1  TYR  94           HD1      TYR  94  17.153 -10.971   8.170
  560    HD2  TYR  94           HD2      TYR  94  17.723 -10.230   3.977
  561    HE1  TYR  94           HE1      TYR  94  17.259 -13.413   7.740
  562    HE2  TYR  94           HE2      TYR  94  17.831 -12.667   3.559
  563    HH   TYR  94           HH       TYR  94  17.490 -14.703   4.448
  564    H    SER  95           H        SER  95  14.666  -8.660   8.610
  565    HA   SER  95           HA       SER  95  15.376  -5.858   9.431
  566   1HB   SER  95          1HB       SER  95  12.897  -6.403   8.736
  567   2HB   SER  95          2HB       SER  95  12.820  -7.179  10.315
  568    HG   SER  95           HG       SER  95  12.518  -5.247  11.043
  569    H    PHE  96           H        PHE  96  16.235  -5.700  11.443
  570    HA   PHE  96           HA       PHE  96  16.023  -8.025  13.322
  571   1HB   PHE  96          1HB       PHE  96  18.506  -6.464  12.546
  572   2HB   PHE  96          2HB       PHE  96  18.405  -7.511  13.959
  573    HD1  PHE  96           HD1      PHE  96  17.557  -9.961  13.518
  574    HD2  PHE  96           HD2      PHE  96  19.154  -7.385  10.494
  575    HE1  PHE  96           HE1      PHE  96  18.107 -11.936  12.122
  576    HE2  PHE  96           HE2      PHE  96  19.709  -9.348   9.100
  577    HZ   PHE  96           HZ       PHE  96  19.183 -11.628   9.914
  578    H    GLY  97           H        GLY  97  14.449  -6.691  14.429
  579   1HA   GLY  97          1HA       GLY  97  14.940  -5.354  16.664
  580   2HA   GLY  97          2HA       GLY  97  15.381  -4.088  15.520
  581    H    GLY  98           H        GLY  98  13.548  -2.879  16.517
  582   1HA   GLY  98          1HA       GLY  98  11.287  -2.191  16.599
  583   2HA   GLY  98          2HA       GLY  98  11.315  -2.654  14.900
  584    H    CYS  99           H        CYS  99  11.862  -5.118  17.330
  585    HA   CYS  99           HA       CYS  99   9.907  -6.872  16.360
  586   1HB   CYS  99          1HB       CYS  99  10.623  -6.746  19.291
  587   2HB   CYS  99          2HB       CYS  99  10.281  -8.165  18.302
  588    HG   CYS  99           HG       CYS  99  12.909  -6.486  18.047
  589    H    HIS 100           H        HIS 100   9.604  -4.649  19.151
  590    HA   HIS 100           HA       HIS 100   6.821  -5.248  19.586
  591   1HB   HIS 100          1HB       HIS 100   8.616  -2.969  20.433
  592   2HB   HIS 100          2HB       HIS 100   6.904  -3.003  20.852
  593    HD1  HIS 100           HD1      HIS 100   9.964  -5.265  21.173
  594    HD2  HIS 100           HD2      HIS 100   6.366  -4.476  23.126
  595    HE1  HIS 100           HE1      HIS 100   9.968  -6.676  23.278
  596    H    ARG 101           H        ARG 101   8.428  -2.492  17.949
  597    HA   ARG 101           HA       ARG 101   6.089  -1.119  17.192
  598   1HB   ARG 101          1HB       ARG 101   8.409  -0.260  16.875
  599   2HB   ARG 101          2HB       ARG 101   8.621  -1.386  15.539
  600   1HG   ARG 101          1HG       ARG 101   7.141  -0.242  14.147
  601   2HG   ARG 101          2HG       ARG 101   6.248   0.466  15.492
  602   1HD   ARG 101          1HD       ARG 101   7.978   1.916  14.036
  603   2HD   ARG 101          2HD       ARG 101   7.753   2.204  15.761
  604    HE   ARG 101           HE       ARG 101   9.827   0.230  15.183
  605   1HH1  ARG 101          1HH1      ARG 101   8.985   3.555  15.534
  606   2HH1  ARG 101          2HH1      ARG 101  10.589   4.055  15.956
  607   1HH2  ARG 101          1HH2      ARG 101  11.927   0.864  15.737
  608   2HH2  ARG 101          2HH2      ARG 101  12.254   2.531  16.071
  609    H    TYR 102           H        TYR 102   7.498  -4.050  15.870
  610    HA   TYR 102           HA       TYR 102   5.911  -4.081  13.447
  611   1HB   TYR 102          1HB       TYR 102   7.887  -5.435  13.476
  612   2HB   TYR 102          2HB       TYR 102   7.420  -6.215  14.982
  613    HD1  TYR 102           HD1      TYR 102   5.550  -7.813  15.046
  614    HD2  TYR 102           HD2      TYR 102   7.003  -6.207  11.339
  615    HE1  TYR 102           HE1      TYR 102   4.395  -9.622  13.817
  616    HE2  TYR 102           HE2      TYR 102   5.853  -8.027  10.107
  617    HH   TYR 102           HH       TYR 102   4.982 -10.241  10.483
  618    H    ALA 103           H        ALA 103   5.536  -5.518  16.686
  619    HA   ALA 103           HA       ALA 103   3.142  -6.973  16.199
  620   1HB   ALA 103          1HB       ALA 103   2.755  -6.587  18.707
  621   2HB   ALA 103          2HB       ALA 103   4.260  -5.669  18.686
  622   3HB   ALA 103          3HB       ALA 103   4.266  -7.380  18.259
  623    H    ALA 104           H        ALA 104   3.560  -3.620  17.393
  624    HA   ALA 104           HA       ALA 104   0.825  -3.005  17.687
  625   1HB   ALA 104          1HB       ALA 104   2.385  -1.397  18.492
  626   2HB   ALA 104          2HB       ALA 104   1.589  -0.610  17.129
  627   3HB   ALA 104          3HB       ALA 104   3.201  -1.296  16.931
  628    H    TYR 105           H        TYR 105   2.885  -2.755  14.790
  629    HA   TYR 105           HA       TYR 105   0.780  -1.749  13.096
  630   1HB   TYR 105          1HB       TYR 105   3.559  -2.779  12.779
  631   2HB   TYR 105          2HB       TYR 105   2.534  -2.948  11.364
  632    HD1  TYR 105           HD1      TYR 105   1.440  -0.930  10.360
  633    HD2  TYR 105           HD2      TYR 105   4.387  -0.637  13.466
  634    HE1  TYR 105           HE1      TYR 105   1.789   1.457   9.796
  635    HE2  TYR 105           HE2      TYR 105   4.748   1.753  12.891
  636    HH   TYR 105           HH       TYR 105   3.122   3.618  11.706
  637    H    GLN 106           H        GLN 106   2.057  -5.007  13.775
  638    HA   GLN 106           HA       GLN 106   0.470  -6.393  11.862
  639   1HB   GLN 106          1HB       GLN 106   2.478  -7.275  13.156
  640   2HB   GLN 106          2HB       GLN 106   1.387  -7.487  14.526
  641   1HG   GLN 106          1HG       GLN 106  -0.115  -8.777  12.831
  642   2HG   GLN 106          2HG       GLN 106   1.338  -8.861  11.843
  643   1HE2  GLN 106          1HE2      GLN 106   0.273  -9.620  15.249
  644   2HE2  GLN 106          2HE2      GLN 106   1.319 -10.945  15.406
  645    H    GLN 107           H        GLN 107  -0.173  -5.360  15.186
  646    HA   GLN 107           HA       GLN 107  -2.636  -6.862  15.442
  647   1HB   GLN 107          1HB       GLN 107  -1.366  -6.089  17.412
  648   2HB   GLN 107          2HB       GLN 107  -1.670  -4.414  16.952
  649   1HG   GLN 107          1HG       GLN 107  -4.007  -4.621  17.339
  650   2HG   GLN 107          2HG       GLN 107  -3.922  -6.382  17.399
  651   1HE2  GLN 107          1HE2      GLN 107  -4.968  -6.145  19.600
  652   2HE2  GLN 107          2HE2      GLN 107  -3.989  -5.773  20.935
  653    H    LEU 108           H        LEU 108  -1.858  -3.502  14.563
  654    HA   LEU 108           HA       LEU 108  -4.587  -2.635  14.341
  655   1HB   LEU 108          1HB       LEU 108  -2.027  -1.609  13.097
  656   2HB   LEU 108          2HB       LEU 108  -3.574  -0.784  12.939
  657    HG   LEU 108           HG       LEU 108  -2.348  -1.524  15.615
  658   1HD1  LEU 108          1HD1      LEU 108  -2.301   1.209  14.315
  659   2HD1  LEU 108          2HD1      LEU 108  -0.940   0.090  14.250
  660   3HD1  LEU 108          3HD1      LEU 108  -1.496   0.710  15.804
  661   1HD2  LEU 108          1HD2      LEU 108  -4.783  -0.002  14.727
  662   2HD2  LEU 108          2HD2      LEU 108  -3.956   0.531  16.187
  663   3HD2  LEU 108          3HD2      LEU 108  -4.580  -1.110  16.083
  664    H    GLN 109           H        GLN 109  -3.316  -5.092  12.726
  665    HA   GLN 109           HA       GLN 109  -3.649  -6.058  10.608
  666   1HB   GLN 109          1HB       GLN 109  -5.983  -5.848  11.711
  667   2HB   GLN 109          2HB       GLN 109  -6.244  -4.510  10.594
  668   1HG   GLN 109          1HG       GLN 109  -7.099  -6.432   9.474
  669   2HG   GLN 109          2HG       GLN 109  -5.526  -6.133   8.735
  670   1HE2  GLN 109          1HE2      GLN 109  -6.060  -8.651   8.317
  671   2HE2  GLN 109          2HE2      GLN 109  -5.392  -9.711   9.463
  672    H    ARG 110           H        ARG 110  -2.092  -3.721  10.428
  673    HA   ARG 110           HA       ARG 110  -3.178  -2.032   8.288
  674   1HB   ARG 110          1HB       ARG 110  -0.448  -2.201   9.589
  675   2HB   ARG 110          2HB       ARG 110  -0.868  -1.024   8.349
  676   1HG   ARG 110          1HG       ARG 110  -2.575  -1.280  10.833
  677   2HG   ARG 110          2HG       ARG 110  -1.080  -0.354  10.887
  678   1HD   ARG 110          1HD       ARG 110  -1.903   0.977   8.915
  679   2HD   ARG 110          2HD       ARG 110  -3.447   0.137   9.056
  680    HE   ARG 110           HE       ARG 110  -2.457   2.231  10.846
  681   1HH1  ARG 110          1HH1      ARG 110  -4.532  -0.483  10.378
  682   2HH1  ARG 110          2HH1      ARG 110  -5.650  -0.010  11.613
  683   1HH2  ARG 110          1HH2      ARG 110  -3.905   2.865  12.461
  684   2HH2  ARG 110          2HH2      ARG 110  -5.295   1.886  12.792
  685    H    GLU 111           H        GLU 111  -2.095  -1.870   6.195
  686    HA   GLU 111           HA       GLU 111  -1.500  -4.530   5.123
  687   1HB   GLU 111          1HB       GLU 111  -1.782  -1.791   3.884
  688   2HB   GLU 111          2HB       GLU 111  -1.269  -3.193   2.946
  689   1HG   GLU 111          1HG       GLU 111  -3.698  -2.903   2.775
  690   2HG   GLU 111          2HG       GLU 111  -3.332  -4.389   3.644
  691    H    THR 112           H        THR 112   0.335  -1.480   5.587
  692    HA   THR 112           HA       THR 112   2.852  -3.070   5.120
  693    HB   THR 112           HB       THR 112   3.774  -0.995   4.040
  694    HG1  THR 112           HG1      THR 112   1.045  -0.245   4.173
  695   1HG2  THR 112          1HG2      THR 112   1.765  -1.305   2.103
  696   2HG2  THR 112          2HG2      THR 112   1.809  -2.860   2.932
  697   3HG2  THR 112          3HG2      THR 112   3.271  -2.209   2.191
  698    H    ILE 113           H        ILE 113   4.796  -1.585   5.821
  699    HA   ILE 113           HA       ILE 113   4.107  -0.044   8.282
  700    HB   ILE 113           HB       ILE 113   4.704  -2.408   8.895
  701   1HG1  ILE 113          1HG1      ILE 113   6.710  -0.328   9.798
  702   2HG1  ILE 113          2HG1      ILE 113   5.049  -0.404  10.378
  703   1HG2  ILE 113          1HG2      ILE 113   6.453  -2.554   7.009
  704   2HG2  ILE 113          2HG2      ILE 113   6.923  -3.217   8.574
  705   3HG2  ILE 113          3HG2      ILE 113   7.511  -1.633   8.075
  706   1HD1  ILE 113          1HD1      ILE 113   6.345  -1.593  11.995
  707   2HD1  ILE 113          2HD1      ILE 113   7.253  -2.444  10.746
  708   3HD1  ILE 113          3HD1      ILE 113   5.558  -2.838  11.027
  709    HA   PRO 114           HA       PRO 114   7.246   2.624   6.439
  710   1HB   PRO 114          1HB       PRO 114   7.755   3.777   9.132
  711   2HB   PRO 114          2HB       PRO 114   7.159   4.575   7.665
  712   1HG   PRO 114          1HG       PRO 114   5.575   4.100   9.790
  713   2HG   PRO 114          2HG       PRO 114   4.962   4.059   8.128
  714   1HD   PRO 114          1HD       PRO 114   5.672   1.763   9.944
  715   2HD   PRO 114          2HD       PRO 114   4.307   1.944   8.832
  716    H    ALA 115           H        ALA 115   9.361   2.125   6.040
  717    HA   ALA 115           HA       ALA 115  11.161   1.335   8.242
  718   1HB   ALA 115          1HB       ALA 115  11.789  -0.787   7.265
  719   2HB   ALA 115          2HB       ALA 115  10.737  -0.512   5.876
  720   3HB   ALA 115          3HB       ALA 115  10.037  -0.784   7.472
  721    H    LYS 116           H        LYS 116  13.189   2.069   7.830
  722    HA   LYS 116           HA       LYS 116  13.675   3.512   5.338
  723   1HB   LYS 116          1HB       LYS 116  14.569   3.837   7.917
  724   2HB   LYS 116          2HB       LYS 116  15.961   3.032   7.204
  725   1HG   LYS 116          1HG       LYS 116  14.624   5.521   6.100
  726   2HG   LYS 116          2HG       LYS 116  16.127   5.500   7.023
  727   1HD   LYS 116          1HD       LYS 116  17.010   3.873   5.245
  728   2HD   LYS 116          2HD       LYS 116  15.606   4.332   4.282
  729   1HE   LYS 116          1HE       LYS 116  17.337   5.805   3.579
  730   2HE   LYS 116          2HE       LYS 116  16.344   6.766   4.674
  731   1HZ   LYS 116          1HZ       LYS 116  18.767   6.935   5.089
  732   2HZ   LYS 116          2HZ       LYS 116  18.778   5.289   5.511
  733   3HZ   LYS 116          3HZ       LYS 116  17.883   6.400   6.434
  734    H    LEU 117           H        LEU 117  14.213   2.336   3.532
  735    HA   LEU 117           HA       LEU 117  15.387  -0.315   3.734
  736   1HB   LEU 117          1HB       LEU 117  15.228   1.494   1.304
  737   2HB   LEU 117          2HB       LEU 117  15.543  -0.237   1.290
  738    HG   LEU 117           HG       LEU 117  12.983   1.117   2.201
  739   1HD1  LEU 117          1HD1      LEU 117  13.770  -0.527  -0.212
  740   2HD1  LEU 117          2HD1      LEU 117  13.045   1.078  -0.183
  741   3HD1  LEU 117          3HD1      LEU 117  12.086  -0.333   0.272
  742   1HD2  LEU 117          1HD2      LEU 117  13.113  -0.774   3.595
  743   2HD2  LEU 117          2HD2      LEU 117  13.947  -1.735   2.372
  744   3HD2  LEU 117          3HD2      LEU 117  12.226  -1.389   2.202
  745    H    VAL 118           H        VAL 118  17.506  -0.916   3.558
  746    HA   VAL 118           HA       VAL 118  19.556   1.207   3.067
  747    HB   VAL 118           HB       VAL 118  19.445  -0.807   5.331
  748   1HG1  VAL 118          1HG1      VAL 118  21.726   0.903   4.321
  749   2HG1  VAL 118          2HG1      VAL 118  21.710  -0.845   4.559
  750   3HG1  VAL 118          3HG1      VAL 118  21.680   0.236   5.952
  751   1HG2  VAL 118          1HG2      VAL 118  18.253   1.451   5.494
  752   2HG2  VAL 118          2HG2      VAL 118  19.854   2.187   5.435
  753   3HG2  VAL 118          3HG2      VAL 118  19.431   1.104   6.760
  754    H    GLN 119           H        GLN 119  20.248   0.448   1.078
  755    HA   GLN 119           HA       GLN 119  20.394  -2.255   0.260
  756   1HB   GLN 119          1HB       GLN 119  20.677  -0.266  -1.247
  757   2HB   GLN 119          2HB       GLN 119  22.287  -0.028  -0.570
  758   1HG   GLN 119          1HG       GLN 119  21.510  -2.709  -1.729
  759   2HG   GLN 119          2HG       GLN 119  22.025  -1.406  -2.787
  760   1HE2  GLN 119          1HE2      GLN 119  23.136  -3.781  -0.509
  761   2HE2  GLN 119          2HE2      GLN 119  24.778  -3.370  -0.580
  762    H    SER 120           H        SER 120  21.688  -3.900   0.913
  763    HA   SER 120           HA       SER 120  24.327  -3.265   2.188
  764   1HB   SER 120          1HB       SER 120  22.079  -4.973   3.237
  765   2HB   SER 120          2HB       SER 120  23.736  -5.288   3.724
  766    HG   SER 120           HG       SER 120  23.595  -2.792   4.036
  767    H    THR 121           H        THR 121  25.459  -5.566   2.536
  768    HA   THR 121           HA       THR 121  25.208  -7.088  -0.042
  769    HB   THR 121           HB       THR 121  27.690  -7.575   0.377
  770    HG1  THR 121           HG1      THR 121  28.057  -6.926   2.394
  771   1HG2  THR 121          1HG2      THR 121  26.704  -4.777  -0.219
  772   2HG2  THR 121          2HG2      THR 121  27.045  -6.060  -1.380
  773   3HG2  THR 121          3HG2      THR 121  28.365  -5.302  -0.491
  774    H    LEU 122           H        LEU 122  25.830  -9.378   0.125
  775    HA   LEU 122           HA       LEU 122  24.536 -10.720   2.241
  776   1HB   LEU 122          1HB       LEU 122  25.166 -11.743   0.017
  777   2HB   LEU 122          2HB       LEU 122  26.824 -11.849   0.602
  778    HG   LEU 122           HG       LEU 122  25.952 -13.202   2.561
  779   1HD1  LEU 122          1HD1      LEU 122  23.655 -12.809   2.734
  780   2HD1  LEU 122          2HD1      LEU 122  23.665 -14.351   1.891
  781   3HD1  LEU 122          3HD1      LEU 122  23.403 -12.861   0.992
  782   1HD2  LEU 122          1HD2      LEU 122  25.835 -15.260   1.293
  783   2HD2  LEU 122          2HD2      LEU 122  26.980 -14.187   0.485
  784   3HD2  LEU 122          3HD2      LEU 122  25.350 -14.388  -0.161
  785    H    SER 123           H        SER 123  27.802  -9.453   2.098
  786    HA   SER 123           HA       SER 123  28.976 -11.011   4.171
  787   1HB   SER 123          1HB       SER 123  30.324  -9.546   2.751
  788   2HB   SER 123          2HB       SER 123  29.486  -8.127   3.380
  789    HG   SER 123           HG       SER 123  30.598  -8.241   5.168
  790    H    ASP 124           H        ASP 124  27.282  -7.854   4.347
  791    HA   ASP 124           HA       ASP 124  27.473  -7.492   7.141
  792   1HB   ASP 124          1HB       ASP 124  26.538  -5.837   5.466
  793   2HB   ASP 124          2HB       ASP 124  25.049  -6.780   5.464
  794    H    LEU 125           H        LEU 125  25.104  -9.356   5.234
  795    HA   LEU 125           HA       LEU 125  23.420 -10.047   7.416
  796   1HB   LEU 125          1HB       LEU 125  23.220 -10.493   4.795
  797   2HB   LEU 125          2HB       LEU 125  23.924 -12.046   5.228
  798    HG   LEU 125           HG       LEU 125  22.112 -12.277   6.982
  799   1HD1  LEU 125          1HD1      LEU 125  20.015 -10.785   6.189
  800   2HD1  LEU 125          2HD1      LEU 125  21.300  -9.660   5.765
  801   3HD1  LEU 125          3HD1      LEU 125  21.136 -10.228   7.423
  802   1HD2  LEU 125          1HD2      LEU 125  20.391 -12.929   5.336
  803   2HD2  LEU 125          2HD2      LEU 125  22.001 -13.424   4.814
  804   3HD2  LEU 125          3HD2      LEU 125  21.237 -12.008   4.093
  805    H    ARG 126           H        ARG 126  26.405 -11.538   6.210
  806    HA   ARG 126           HA       ARG 126  26.427 -13.865   7.849
  807   1HB   ARG 126          1HB       ARG 126  28.085 -13.215   5.999
  808   2HB   ARG 126          2HB       ARG 126  28.870 -12.189   7.199
  809   1HG   ARG 126          1HG       ARG 126  28.940 -14.313   8.680
  810   2HG   ARG 126          2HG       ARG 126  28.590 -15.195   7.193
  811   1HD   ARG 126          1HD       ARG 126  30.929 -13.303   7.587
  812   2HD   ARG 126          2HD       ARG 126  31.025 -15.059   7.638
  813    HE   ARG 126           HE       ARG 126  30.660 -15.138   5.268
  814   1HH1  ARG 126          1HH1      ARG 126  30.553 -11.933   6.582
  815   2HH1  ARG 126          2HH1      ARG 126  30.703 -11.167   5.038
  816   1HH2  ARG 126          1HH2      ARG 126  30.851 -14.136   3.265
  817   2HH2  ARG 126          2HH2      ARG 126  30.868 -12.407   3.168
  818    H    VAL 127           H        VAL 127  27.336 -10.514   8.588
  819    HA   VAL 127           HA       VAL 127  28.530 -10.992  11.125
  820    HB   VAL 127           HB       VAL 127  26.862  -8.615  10.241
  821   1HG1  VAL 127          1HG1      VAL 127  28.784  -9.038  12.544
  822   2HG1  VAL 127          2HG1      VAL 127  27.073  -8.628  12.651
  823   3HG1  VAL 127          3HG1      VAL 127  28.224  -7.451  12.019
  824   1HG2  VAL 127          1HG2      VAL 127  29.047  -7.602   9.732
  825   2HG2  VAL 127          2HG2      VAL 127  28.828  -9.081   8.801
  826   3HG2  VAL 127          3HG2      VAL 127  29.859  -9.085  10.229
  827    H    TYR 128           H        TYR 128  25.153 -10.809  10.089
  828    HA   TYR 128           HA       TYR 128  24.190 -11.016  12.892
  829   1HB   TYR 128          1HB       TYR 128  22.717 -10.944  10.246
  830   2HB   TYR 128          2HB       TYR 128  21.931 -11.038  11.820
  831    HD1  TYR 128           HD1      TYR 128  23.661  -8.898   9.442
  832    HD2  TYR 128           HD2      TYR 128  22.144  -9.163  13.448
  833    HE1  TYR 128           HE1      TYR 128  23.784  -6.432   9.650
  834    HE2  TYR 128           HE2      TYR 128  22.273  -6.696  13.661
  835    HH   TYR 128           HH       TYR 128  23.021  -4.652  10.910
  836    H    LEU 129           H        LEU 129  23.985 -12.965   9.904
  837    HA   LEU 129           HA       LEU 129  23.306 -15.365  11.565
  838   1HB   LEU 129          1HB       LEU 129  22.706 -14.744   8.664
  839   2HB   LEU 129          2HB       LEU 129  22.242 -16.212   9.514
  840    HG   LEU 129           HG       LEU 129  21.292 -13.394  10.101
  841   1HD1  LEU 129          1HD1      LEU 129  20.027 -15.868   8.902
  842   2HD1  LEU 129          2HD1      LEU 129  20.118 -14.244   8.221
  843   3HD1  LEU 129          3HD1      LEU 129  19.051 -14.567   9.587
  844   1HD2  LEU 129          1HD2      LEU 129  19.714 -14.767  11.695
  845   2HD2  LEU 129          2HD2      LEU 129  21.333 -14.344  12.242
  846   3HD2  LEU 129          3HD2      LEU 129  21.005 -15.969  11.638
  847    H    GLY 130           H        GLY 130  26.019 -14.670  11.232
  848   1HA   GLY 130          1HA       GLY 130  27.234 -15.878   8.951
  849   2HA   GLY 130          2HA       GLY 130  28.049 -15.566  10.480
  850    H    ALA 131           H        ALA 131  25.199 -17.673   9.979
  851    HA   ALA 131           HA       ALA 131  26.860 -20.087  10.236
  852   1HB   ALA 131          1HB       ALA 131  26.697 -19.724  12.554
  853   2HB   ALA 131          2HB       ALA 131  25.346 -20.811  12.236
  854   3HB   ALA 131          3HB       ALA 131  25.060 -19.081  12.437
  855    H    SER 132           H        SER 132  23.443 -19.024  10.615
  856    HA   SER 132           HA       SER 132  22.616 -21.323   8.900
  857   1HB   SER 132          1HB       SER 132  20.941 -19.383  10.526
  858   2HB   SER 132          2HB       SER 132  20.346 -20.816   9.688
  859    HG   SER 132           HG       SER 132  20.995 -20.868  12.075
  860    H    THR 133           H        THR 133  23.971 -19.061   7.707
  861    HA   THR 133           HA       THR 133  22.019 -17.286   6.535
  862    HB   THR 133           HB       THR 133  24.564 -17.648   5.048
  863    HG1  THR 133           HG1      THR 133  24.824 -16.589   7.611
  864   1HG2  THR 133          1HG2      THR 133  23.701 -15.213   6.592
  865   2HG2  THR 133          2HG2      THR 133  22.883 -15.651   5.092
  866   3HG2  THR 133          3HG2      THR 133  24.614 -15.307   5.084
  867    HA   PRO 134           HA       PRO 134  20.963 -20.428   3.380
  868   1HB   PRO 134          1HB       PRO 134  18.775 -19.224   2.332
  869   2HB   PRO 134          2HB       PRO 134  18.738 -20.004   3.923
  870   1HG   PRO 134          1HG       PRO 134  18.978 -17.105   3.234
  871   2HG   PRO 134          2HG       PRO 134  18.022 -17.880   4.508
  872   1HD   PRO 134          1HD       PRO 134  20.492 -16.681   4.925
  873   2HD   PRO 134          2HD       PRO 134  19.821 -17.943   5.974
  874    H    ASP 135           H        ASP 135  20.226 -20.007   0.877
  875    HA   ASP 135           HA       ASP 135  22.272 -18.146  -0.258
  876   1HB   ASP 135          1HB       ASP 135  22.368 -20.659  -0.720
  877   2HB   ASP 135          2HB       ASP 135  20.917 -20.438  -1.692
  878    H    LEU 136           H        LEU 136  21.543 -16.451  -1.331
  879    HA   LEU 136           HA       LEU 136  18.639 -16.165  -1.860
  880   1HB   LEU 136          1HB       LEU 136  20.923 -14.188  -2.091
  881   2HB   LEU 136          2HB       LEU 136  19.226 -13.802  -2.362
  882    HG   LEU 136           HG       LEU 136  20.356 -14.894   0.233
  883   1HD1  LEU 136          1HD1      LEU 136  21.042 -12.525  -0.449
  884   2HD1  LEU 136          2HD1      LEU 136  20.207 -12.669   1.099
  885   3HD1  LEU 136          3HD1      LEU 136  19.335 -12.100  -0.324
  886   1HD2  LEU 136          1HD2      LEU 136  18.110 -15.520   0.282
  887   2HD2  LEU 136          2HD2      LEU 136  17.599 -14.161  -0.727
  888   3HD2  LEU 136          3HD2      LEU 136  18.009 -13.900   0.965
  889    H    GLN 137           H        GLN 137  17.764 -16.041  -3.872
  890    HA   GLN 137           HA       GLN 137  19.591 -16.130  -6.241
  891   1HB   GLN 137          1HB       GLN 137  16.974 -17.643  -6.129
  892   2HB   GLN 137          2HB       GLN 137  18.331 -17.868  -7.230
  893   1HG   GLN 137          1HG       GLN 137  18.296 -18.493  -4.265
  894   2HG   GLN 137          2HG       GLN 137  18.306 -19.667  -5.579
  895   1HE2  GLN 137          1HE2      GLN 137  20.387 -18.529  -3.349
  896   2HE2  GLN 137          2HE2      GLN 137  21.825 -18.517  -4.239
  897   1H5*  ATP   1          1H5*      ATP   1   9.368   0.702  19.735
  898   2H5*  ATP   1          2H5*      ATP   1  10.558   0.465  20.975
  899    H4*  ATP   1           H4*      ATP   1  10.888   2.846  19.100
  900    H3*  ATP   1           H3*      ATP   1  11.826   2.193  21.871
  901   *HO3  ATP   1          *HO3      ATP   1  13.004   2.977  20.022
  902    H2*  ATP   1           H2*      ATP   1  10.263   3.555  22.896
  903   *HO2  ATP   1          *HO2      ATP   1  12.201   4.970  21.675
  904    H1*  ATP   1           H1*      ATP   1   9.884   5.024  20.229
  905    H8   ATP   1           H8       ATP   1   8.086   6.790  20.622
  906    H2   ATP   1           H2       ATP   1   6.870   2.044  24.786
  907   1HN6  ATP   1          1HN6      ATP   1   3.612   5.164  24.598
  908   2HN6  ATP   1          2HN6      ATP   1   3.917   6.045  23.122
  Start of MODEL    5
    1   1H    GLY  17          1H        GLY  17  14.150 -30.295 -26.853
    2   2H    GLY  17          2H        GLY  17  15.749 -30.339 -26.280
    3   3H    GLY  17          3H        GLY  17  14.770 -31.724 -26.181
    4   1HA   GLY  17          1HA       GLY  17  16.277 -32.025 -27.989
    5   2HA   GLY  17          2HA       GLY  17  14.655 -31.775 -28.636
    6    H    ALA  18           H        ALA  18  14.337 -29.052 -28.437
    7    HA   ALA  18           HA       ALA  18  16.008 -28.113 -30.613
    8   1HB   ALA  18          1HB       ALA  18  13.816 -26.918 -28.929
    9   2HB   ALA  18          2HB       ALA  18  13.836 -27.222 -30.665
   10   3HB   ALA  18          3HB       ALA  18  14.763 -25.881 -29.995
   11    HA   PRO  19           HA       PRO  19  19.239 -26.301 -28.155
   12   1HB   PRO  19          1HB       PRO  19  20.092 -24.265 -29.760
   13   2HB   PRO  19          2HB       PRO  19  20.366 -25.972 -30.159
   14   1HG   PRO  19          1HG       PRO  19  18.246 -24.110 -31.165
   15   2HG   PRO  19          2HG       PRO  19  19.249 -25.258 -32.068
   16   1HD   PRO  19          1HD       PRO  19  16.675 -25.822 -31.323
   17   2HD   PRO  19          2HD       PRO  19  17.920 -27.080 -31.468
   18    H    GLU  20           H        GLU  20  19.998 -23.612 -27.960
   19    HA   GLU  20           HA       GLU  20  17.617 -22.016 -27.261
   20   1HB   GLU  20          1HB       GLU  20  19.619 -22.954 -25.183
   21   2HB   GLU  20          2HB       GLU  20  18.438 -21.672 -24.914
   22   1HG   GLU  20          1HG       GLU  20  16.656 -23.379 -25.616
   23   2HG   GLU  20          2HG       GLU  20  17.916 -24.602 -25.456
   24    H    GLY  21           H        GLY  21  18.164 -19.778 -26.918
   25   1HA   GLY  21          1HA       GLY  21  20.194 -18.715 -28.521
   26   2HA   GLY  21          2HA       GLY  21  19.477 -17.843 -27.166
   27    HA   PRO  22           HA       PRO  22  23.963 -19.082 -26.259
   28   1HB   PRO  22          1HB       PRO  22  25.201 -16.684 -26.614
   29   2HB   PRO  22          2HB       PRO  22  24.919 -17.811 -27.955
   30   1HG   PRO  22          1HG       PRO  22  23.362 -15.378 -27.167
   31   2HG   PRO  22          2HG       PRO  22  23.869 -15.910 -28.779
   32   1HD   PRO  22          1HD       PRO  22  21.334 -16.332 -27.784
   33   2HD   PRO  22          2HD       PRO  22  22.096 -17.409 -28.974
   34    H    GLY  23           H        GLY  23  23.423 -19.304 -24.049
   35   1HA   GLY  23          1HA       GLY  23  23.145 -18.659 -21.806
   36   2HA   GLY  23          2HA       GLY  23  24.296 -17.383 -22.204
   37    HA   PRO  24           HA       PRO  24  20.199 -15.514 -20.763
   38   1HB   PRO  24          1HB       PRO  24  22.313 -13.474 -20.114
   39   2HB   PRO  24          2HB       PRO  24  20.869 -13.930 -19.188
   40   1HG   PRO  24          1HG       PRO  24  23.275 -14.824 -18.488
   41   2HG   PRO  24          2HG       PRO  24  21.851 -15.873 -18.382
   42   1HD   PRO  24          1HD       PRO  24  24.087 -15.915 -20.380
   43   2HD   PRO  24          2HD       PRO  24  23.108 -17.262 -19.759
   44    H    SER  25           H        SER  25  19.200 -13.488 -21.571
   45    HA   SER  25           HA       SER  25  19.972 -12.953 -24.337
   46   1HB   SER  25          1HB       SER  25  17.580 -13.047 -23.441
   47   2HB   SER  25          2HB       SER  25  17.893 -11.471 -22.714
   48    HG   SER  25           HG       SER  25  17.765 -12.201 -25.420
   49    H    GLY  26           H        GLY  26  19.445 -10.232 -24.612
   50   1HA   GLY  26          1HA       GLY  26  20.808  -8.545 -22.755
   51   2HA   GLY  26          2HA       GLY  26  21.948  -9.047 -24.003
   52    H    GLY  27           H        GLY  27  21.989  -6.743 -24.638
   53   1HA   GLY  27          1HA       GLY  27  20.397  -6.180 -26.911
   54   2HA   GLY  27          2HA       GLY  27  19.670  -5.338 -25.542
   55    H    ALA  28           H        ALA  28  21.289  -4.430 -28.005
   56    HA   ALA  28           HA       ALA  28  23.719  -3.278 -26.875
   57   1HB   ALA  28          1HB       ALA  28  23.556  -3.829 -29.278
   58   2HB   ALA  28          2HB       ALA  28  23.892  -2.114 -29.044
   59   3HB   ALA  28          3HB       ALA  28  22.262  -2.645 -29.460
   60    H    GLN  29           H        GLN  29  20.412  -2.197 -27.472
   61    HA   GLN  29           HA       GLN  29  20.968   0.591 -26.863
   62   1HB   GLN  29          1HB       GLN  29  18.326  -0.899 -26.813
   63   2HB   GLN  29          2HB       GLN  29  18.533   0.852 -26.856
   64   1HG   GLN  29          1HG       GLN  29  19.562  -1.044 -28.989
   65   2HG   GLN  29          2HG       GLN  29  18.054  -0.138 -29.109
   66   1HE2  GLN  29          1HE2      GLN  29  20.375   0.205 -30.887
   67   2HE2  GLN  29          2HE2      GLN  29  20.919   1.799 -30.680
   68    H    GLY  30           H        GLY  30  22.193  -0.657 -24.839
   69   1HA   GLY  30          1HA       GLY  30  21.072   0.422 -22.490
   70   2HA   GLY  30          2HA       GLY  30  20.564  -1.265 -22.553
   71    H    GLY  31           H        GLY  31  22.404  -2.865 -22.936
   72   1HA   GLY  31          1HA       GLY  31  24.587  -3.657 -22.484
   73   2HA   GLY  31          2HA       GLY  31  25.100  -1.989 -22.231
   74    H    SER  32           H        SER  32  22.617  -1.846 -20.336
   75    HA   SER  32           HA       SER  32  23.285  -3.584 -18.116
   76   1HB   SER  32          1HB       SER  32  25.216  -2.004 -18.050
   77   2HB   SER  32          2HB       SER  32  24.080  -0.666 -17.871
   78    HG   SER  32           HG       SER  32  23.398  -1.529 -15.934
   79    H    ILE  33           H        ILE  33  21.407  -3.782 -16.993
   80    HA   ILE  33           HA       ILE  33  19.165  -2.023 -17.549
   81    HB   ILE  33           HB       ILE  33  18.042  -3.403 -15.743
   82   1HG1  ILE  33          1HG1      ILE  33  20.653  -4.944 -15.816
   83   2HG1  ILE  33          2HG1      ILE  33  20.205  -3.843 -14.512
   84   1HG2  ILE  33          1HG2      ILE  33  17.932  -5.397 -17.114
   85   2HG2  ILE  33          2HG2      ILE  33  19.484  -5.021 -17.863
   86   3HG2  ILE  33          3HG2      ILE  33  18.078  -4.006 -18.188
   87   1HD1  ILE  33          1HD1      ILE  33  18.086  -5.197 -14.226
   88   2HD1  ILE  33          2HD1      ILE  33  19.567  -6.066 -13.824
   89   3HD1  ILE  33          3HD1      ILE  33  18.758  -6.366 -15.363
   90    H    HIS  34           H        HIS  34  17.905  -1.539 -15.195
   91    HA   HIS  34           HA       HIS  34  19.732  -0.369 -13.229
   92   1HB   HIS  34          1HB       HIS  34  18.117   1.366 -15.112
   93   2HB   HIS  34          2HB       HIS  34  18.725   1.950 -13.563
   94    HD1  HIS  34           HD1      HIS  34  19.729   1.382 -17.042
   95    HD2  HIS  34           HD2      HIS  34  21.678   1.791 -13.379
   96    HE1  HIS  34           HE1      HIS  34  22.162   1.845 -17.573
   97    H    SER  35           H        SER  35  18.704  -0.962 -11.385
   98    HA   SER  35           HA       SER  35  15.842  -1.453 -11.303
   99   1HB   SER  35          1HB       SER  35  16.293  -1.715  -8.811
  100   2HB   SER  35          2HB       SER  35  17.223  -2.784  -9.861
  101    HG   SER  35           HG       SER  35  18.587  -1.824  -8.357
  102    H    GLY  36           H        GLY  36  16.981   0.228  -8.538
  103   1HA   GLY  36          1HA       GLY  36  16.120   2.884  -9.381
  104   2HA   GLY  36          2HA       GLY  36  14.945   2.081  -8.339
  105    H    ARG  37           H        ARG  37  18.291   3.238  -8.501
  106    HA   ARG  37           HA       ARG  37  18.933   2.650  -5.754
  107   1HB   ARG  37          1HB       ARG  37  20.088   4.657  -7.710
  108   2HB   ARG  37          2HB       ARG  37  20.770   4.338  -6.116
  109   1HG   ARG  37          1HG       ARG  37  20.975   1.922  -6.746
  110   2HG   ARG  37          2HG       ARG  37  20.427   2.337  -8.370
  111   1HD   ARG  37          1HD       ARG  37  22.339   3.869  -8.631
  112   2HD   ARG  37          2HD       ARG  37  22.882   3.480  -6.999
  113    HE   ARG  37           HE       ARG  37  22.644   1.046  -8.454
  114   1HH1  ARG  37          1HH1      ARG  37  24.456   3.978  -8.357
  115   2HH1  ARG  37          2HH1      ARG  37  25.895   3.266  -9.006
  116   1HH2  ARG  37          1HH2      ARG  37  24.514   0.099  -9.303
  117   2HH2  ARG  37          2HH2      ARG  37  25.928   1.070  -9.542
  118    H    ILE  38           H        ILE  38  17.325   3.437  -4.365
  119    HA   ILE  38           HA       ILE  38  17.288   6.396  -4.024
  120    HB   ILE  38           HB       ILE  38  14.766   4.701  -4.175
  121   1HG1  ILE  38          1HG1      ILE  38  16.019   6.684  -6.089
  122   2HG1  ILE  38          2HG1      ILE  38  15.676   4.982  -6.393
  123   1HG2  ILE  38          1HG2      ILE  38  15.007   7.721  -4.039
  124   2HG2  ILE  38          2HG2      ILE  38  14.784   6.727  -2.599
  125   3HG2  ILE  38          3HG2      ILE  38  13.553   6.744  -3.856
  126   1HD1  ILE  38          1HD1      ILE  38  13.900   6.145  -7.456
  127   2HD1  ILE  38          2HD1      ILE  38  13.708   7.255  -6.099
  128   3HD1  ILE  38          3HD1      ILE  38  13.211   5.571  -5.937
  129    H    ALA  39           H        ALA  39  18.366   6.232  -2.079
  130    HA   ALA  39           HA       ALA  39  17.438   4.328  -0.018
  131   1HB   ALA  39          1HB       ALA  39  19.681   6.350  -0.158
  132   2HB   ALA  39          2HB       ALA  39  19.801   4.591  -0.091
  133   3HB   ALA  39          3HB       ALA  39  19.283   5.495   1.332
  134    H    ALA  40           H        ALA  40  15.311   5.200   0.350
  135    HA   ALA  40           HA       ALA  40  15.316   7.535   2.182
  136   1HB   ALA  40          1HB       ALA  40  13.212   7.420   0.029
  137   2HB   ALA  40          2HB       ALA  40  14.776   8.152  -0.317
  138   3HB   ALA  40          3HB       ALA  40  13.767   8.805   0.970
  139    H    VAL  41           H        VAL  41  12.731   7.768   2.786
  140    HA   VAL  41           HA       VAL  41  12.138   5.292   4.190
  141    HB   VAL  41           HB       VAL  41  10.512   7.830   3.871
  142   1HG1  VAL  41          1HG1      VAL  41   9.038   6.009   4.491
  143   2HG1  VAL  41          2HG1      VAL  41   9.334   6.994   5.922
  144   3HG1  VAL  41          3HG1      VAL  41  10.175   5.458   5.723
  145   1HG2  VAL  41          1HG2      VAL  41  12.436   6.846   5.990
  146   2HG2  VAL  41          2HG2      VAL  41  11.309   8.174   6.262
  147   3HG2  VAL  41          3HG2      VAL  41  12.561   8.322   5.033
  148    H    HIS  42           H        HIS  42  10.510   3.818   3.719
  149    HA   HIS  42           HA       HIS  42   8.729   4.270   1.392
  150   1HB   HIS  42          1HB       HIS  42  10.957   2.259   1.548
  151   2HB   HIS  42          2HB       HIS  42   9.502   1.846   0.646
  152    HD1  HIS  42           HD1      HIS  42   9.406   2.641  -1.705
  153    HD2  HIS  42           HD2      HIS  42  12.178   4.802   0.527
  154    HE1  HIS  42           HE1      HIS  42  10.604   4.162  -3.330
  155    H    ASN  43           H        ASN  43   6.853   2.993   1.499
  156    HA   ASN  43           HA       ASN  43   6.336   1.679   4.087
  157   1HB   ASN  43          1HB       ASN  43   4.622   2.195   1.638
  158   2HB   ASN  43          2HB       ASN  43   4.038   1.360   3.076
  159   1HD2  ASN  43          1HD2      ASN  43   2.731   3.708   2.475
  160   2HD2  ASN  43          2HD2      ASN  43   3.206   4.943   3.533
  161    H    VAL  44           H        VAL  44   7.602  -0.229   4.007
  162    HA   VAL  44           HA       VAL  44   7.384  -1.992   1.665
  163    HB   VAL  44           HB       VAL  44   9.515  -1.583   3.040
  164   1HG1  VAL  44          1HG1      VAL  44   8.338  -3.730   4.805
  165   2HG1  VAL  44          2HG1      VAL  44   8.314  -2.023   5.246
  166   3HG1  VAL  44          3HG1      VAL  44   9.853  -2.856   5.022
  167   1HG2  VAL  44          1HG2      VAL  44  10.286  -3.897   2.696
  168   2HG2  VAL  44          2HG2      VAL  44   9.319  -3.348   1.329
  169   3HG2  VAL  44          3HG2      VAL  44   8.616  -4.432   2.531
  170    HA   PRO  45           HA       PRO  45   3.675  -4.014   3.329
  171   1HB   PRO  45          1HB       PRO  45   4.810  -6.364   1.851
  172   2HB   PRO  45          2HB       PRO  45   3.152  -5.736   1.858
  173   1HG   PRO  45          1HG       PRO  45   4.789  -5.273  -0.187
  174   2HG   PRO  45          2HG       PRO  45   3.668  -4.029   0.386
  175   1HD   PRO  45          1HD       PRO  45   6.635  -4.211   0.748
  176   2HD   PRO  45          2HD       PRO  45   5.601  -2.777   0.592
  177    H    LEU  46           H        LEU  46   3.256  -5.203   5.154
  178    HA   LEU  46           HA       LEU  46   5.417  -6.105   6.810
  179   1HB   LEU  46          1HB       LEU  46   2.470  -6.762   6.934
  180   2HB   LEU  46          2HB       LEU  46   3.622  -7.081   8.217
  181    HG   LEU  46           HG       LEU  46   3.477  -4.263   7.210
  182   1HD1  LEU  46          1HD1      LEU  46   1.557  -3.809   8.735
  183   2HD1  LEU  46          2HD1      LEU  46   1.352  -5.550   8.927
  184   3HD1  LEU  46          3HD1      LEU  46   1.130  -4.807   7.344
  185   1HD2  LEU  46          1HD2      LEU  46   3.768  -5.545   9.942
  186   2HD2  LEU  46          2HD2      LEU  46   3.703  -3.809   9.671
  187   3HD2  LEU  46          3HD2      LEU  46   5.035  -4.750   9.007
  188    H    SER  47           H        SER  47   3.292  -7.656   4.534
  189    HA   SER  47           HA       SER  47   3.701 -10.365   5.263
  190   1HB   SER  47          1HB       SER  47   3.077 -10.803   2.834
  191   2HB   SER  47          2HB       SER  47   1.928  -9.848   3.767
  192    HG   SER  47           HG       SER  47   2.319  -8.852   1.792
  193    H    VAL  48           H        VAL  48   5.798  -8.232   3.368
  194    HA   VAL  48           HA       VAL  48   7.492 -10.577   2.633
  195    HB   VAL  48           HB       VAL  48   8.539  -9.178   1.013
  196   1HG1  VAL  48          1HG1      VAL  48   6.137 -10.005   0.636
  197   2HG1  VAL  48          2HG1      VAL  48   6.715  -8.716  -0.420
  198   3HG1  VAL  48          3HG1      VAL  48   5.645  -8.337   0.927
  199   1HG2  VAL  48          1HG2      VAL  48   7.881  -6.756   0.795
  200   2HG2  VAL  48          2HG2      VAL  48   8.835  -7.119   2.232
  201   3HG2  VAL  48          3HG2      VAL  48   7.094  -6.889   2.363
  202    H    LEU  49           H        LEU  49   7.404  -9.278   5.405
  203    HA   LEU  49           HA       LEU  49  10.161  -8.193   5.589
  204   1HB   LEU  49          1HB       LEU  49   7.967  -8.591   7.651
  205   2HB   LEU  49          2HB       LEU  49   9.573  -7.992   8.044
  206    HG   LEU  49           HG       LEU  49   7.609  -6.674   6.144
  207   1HD1  LEU  49          1HD1      LEU  49   7.099  -6.596   8.619
  208   2HD1  LEU  49          2HD1      LEU  49   7.354  -5.014   7.882
  209   3HD1  LEU  49          3HD1      LEU  49   8.630  -5.754   8.845
  210   1HD2  LEU  49          1HD2      LEU  49  10.488  -6.149   6.812
  211   2HD2  LEU  49          2HD2      LEU  49   9.433  -4.759   6.582
  212   3HD2  LEU  49          3HD2      LEU  49   9.635  -5.933   5.285
  213    H    ILE  50           H        ILE  50  11.832  -9.501   6.056
  214    HA   ILE  50           HA       ILE  50  11.300 -12.313   6.828
  215    HB   ILE  50           HB       ILE  50  13.935 -11.004   6.171
  216   1HG1  ILE  50          1HG1      ILE  50  11.866 -12.276   4.368
  217   2HG1  ILE  50          2HG1      ILE  50  12.417 -10.609   4.318
  218   1HG2  ILE  50          1HG2      ILE  50  13.061 -13.876   5.842
  219   2HG2  ILE  50          2HG2      ILE  50  13.860 -13.280   7.297
  220   3HG2  ILE  50          3HG2      ILE  50  14.698 -13.225   5.748
  221   1HD1  ILE  50          1HD1      ILE  50  13.619 -11.693   2.587
  222   2HD1  ILE  50          2HD1      ILE  50  13.961 -13.099   3.594
  223   3HD1  ILE  50          3HD1      ILE  50  14.766 -11.562   3.917
  224    H    ARG  51           H        ARG  51  11.328 -12.816   8.924
  225    HA   ARG  51           HA       ARG  51  13.282 -11.479  10.754
  226   1HB   ARG  51          1HB       ARG  51  10.326 -11.957  11.160
  227   2HB   ARG  51          2HB       ARG  51  11.429 -11.705  12.514
  228   1HG   ARG  51          1HG       ARG  51  12.145  -9.570  11.499
  229   2HG   ARG  51          2HG       ARG  51  10.983  -9.799  10.197
  230   1HD   ARG  51          1HD       ARG  51   9.131  -9.659  11.712
  231   2HD   ARG  51          2HD       ARG  51  10.187  -9.777  13.119
  232    HE   ARG  51           HE       ARG  51   9.614  -7.353  11.623
  233   1HH1  ARG  51          1HH1      ARG  51  11.934  -9.094  13.488
  234   2HH1  ARG  51          2HH1      ARG  51  12.762  -7.673  14.030
  235   1HH2  ARG  51          1HH2      ARG  51  10.682  -5.487  12.321
  236   2HH2  ARG  51          2HH2      ARG  51  12.053  -5.631  13.370
  237    HA   PRO  52           HA       PRO  52  13.526 -16.009  11.505
  238   1HB   PRO  52          1HB       PRO  52  16.113 -16.388  11.058
  239   2HB   PRO  52          2HB       PRO  52  15.039 -16.004   9.696
  240   1HG   PRO  52          1HG       PRO  52  16.944 -14.228  11.172
  241   2HG   PRO  52          2HG       PRO  52  16.595 -14.304   9.440
  242   1HD   PRO  52          1HD       PRO  52  15.433 -12.486  11.307
  243   2HD   PRO  52          2HD       PRO  52  14.875 -12.774   9.644
  244    H    LEU  53           H        LEU  53  13.721 -13.710  13.516
  245    HA   LEU  53           HA       LEU  53  15.378 -15.148  15.527
  246   1HB   LEU  53          1HB       LEU  53  16.149 -12.750  14.262
  247   2HB   LEU  53          2HB       LEU  53  15.553 -12.230  15.831
  248    HG   LEU  53           HG       LEU  53  17.093 -13.823  16.940
  249   1HD1  LEU  53          1HD1      LEU  53  18.980 -14.612  15.133
  250   2HD1  LEU  53          2HD1      LEU  53  17.541 -14.696  14.121
  251   3HD1  LEU  53          3HD1      LEU  53  17.626 -15.626  15.616
  252   1HD2  LEU  53          1HD2      LEU  53  18.787 -12.275  14.988
  253   2HD2  LEU  53          2HD2      LEU  53  18.976 -12.451  16.732
  254   3HD2  LEU  53          3HD2      LEU  53  17.719 -11.394  16.086
  255    HA   PRO  54           HA       PRO  54  11.468 -14.246  17.639
  256   1HB   PRO  54          1HB       PRO  54  11.894 -15.635  19.934
  257   2HB   PRO  54          2HB       PRO  54  11.561 -16.446  18.392
  258   1HG   PRO  54          1HG       PRO  54  14.178 -15.993  19.770
  259   2HG   PRO  54          2HG       PRO  54  13.575 -17.447  18.956
  260   1HD   PRO  54          1HD       PRO  54  15.313 -15.648  17.781
  261   2HD   PRO  54          2HD       PRO  54  14.192 -16.668  16.854
  262    H    SER  55           H        SER  55  10.809 -13.186  19.766
  263    HA   SER  55           HA       SER  55  12.952 -11.832  21.264
  264   1HB   SER  55          1HB       SER  55  11.068 -10.369  19.414
  265   2HB   SER  55          2HB       SER  55  11.826  -9.565  20.784
  266    HG   SER  55           HG       SER  55  13.829 -10.033  19.927
  267    H    VAL  56           H        VAL  56  12.051 -10.582  23.080
  268    HA   VAL  56           HA       VAL  56   9.483 -11.764  24.034
  269    HB   VAL  56           HB       VAL  56  11.718 -11.869  25.387
  270   1HG1  VAL  56          1HG1      VAL  56  12.303  -9.991  26.718
  271   2HG1  VAL  56          2HG1      VAL  56  10.822  -9.130  26.304
  272   3HG1  VAL  56          3HG1      VAL  56  12.091  -9.334  25.098
  273   1HG2  VAL  56          1HG2      VAL  56  10.423 -11.530  27.533
  274   2HG2  VAL  56          2HG2      VAL  56   9.641 -12.590  26.361
  275   3HG2  VAL  56          3HG2      VAL  56   9.088 -10.926  26.552
  276    H    LEU  57           H        LEU  57   7.730 -10.495  23.753
  277    HA   LEU  57           HA       LEU  57   8.094  -7.557  23.467
  278   1HB   LEU  57          1HB       LEU  57   5.657  -9.257  22.954
  279   2HB   LEU  57          2HB       LEU  57   5.834  -7.555  22.558
  280    HG   LEU  57           HG       LEU  57   7.582  -9.773  21.441
  281   1HD1  LEU  57          1HD1      LEU  57   5.398 -10.041  20.498
  282   2HD1  LEU  57          2HD1      LEU  57   6.328  -9.142  19.298
  283   3HD1  LEU  57          3HD1      LEU  57   5.178  -8.297  20.337
  284   1HD2  LEU  57          1HD2      LEU  57   8.898  -7.851  21.299
  285   2HD2  LEU  57          2HD2      LEU  57   7.508  -6.777  21.137
  286   3HD2  LEU  57          3HD2      LEU  57   8.024  -7.768  19.772
  287    H    ASP  58           H        ASP  58   7.027  -6.107  24.695
  288    HA   ASP  58           HA       ASP  58   5.967  -7.056  27.300
  289   1HB   ASP  58          1HB       ASP  58   7.713  -5.491  27.590
  290   2HB   ASP  58          2HB       ASP  58   7.162  -4.486  26.277
  291    HA   PRO  59           HA       PRO  59   1.950  -5.917  25.573
  292   1HB   PRO  59          1HB       PRO  59   0.386  -6.226  27.772
  293   2HB   PRO  59          2HB       PRO  59   1.108  -7.609  26.926
  294   1HG   PRO  59          1HG       PRO  59   2.034  -6.220  29.414
  295   2HG   PRO  59          2HG       PRO  59   1.912  -7.952  29.080
  296   1HD   PRO  59          1HD       PRO  59   4.278  -6.560  28.888
  297   2HD   PRO  59          2HD       PRO  59   3.923  -7.998  27.908
  298    H    ALA  60           H        ALA  60   3.454  -4.146  28.150
  299    HA   ALA  60           HA       ALA  60   1.362  -2.073  28.230
  300   1HB   ALA  60          1HB       ALA  60   4.109  -1.883  29.469
  301   2HB   ALA  60          2HB       ALA  60   2.831  -2.851  30.205
  302   3HB   ALA  60          3HB       ALA  60   2.611  -1.113  29.993
  303    H    LYS  61           H        LYS  61   4.712  -2.395  27.060
  304    HA   LYS  61           HA       LYS  61   4.851   0.304  26.080
  305   1HB   LYS  61          1HB       LYS  61   6.676  -1.756  26.491
  306   2HB   LYS  61          2HB       LYS  61   6.609  -1.664  24.738
  307   1HG   LYS  61          1HG       LYS  61   6.992   0.823  24.936
  308   2HG   LYS  61          2HG       LYS  61   7.249   0.575  26.663
  309   1HD   LYS  61          1HD       LYS  61   8.829  -0.805  24.469
  310   2HD   LYS  61          2HD       LYS  61   9.386   0.610  25.359
  311   1HE   LYS  61          1HE       LYS  61   8.918  -0.846  27.484
  312   2HE   LYS  61          2HE       LYS  61   8.964  -2.201  26.355
  313   1HZ   LYS  61          1HZ       LYS  61  11.157  -2.118  26.470
  314   2HZ   LYS  61          2HZ       LYS  61  11.110  -0.721  27.436
  315   3HZ   LYS  61          3HZ       LYS  61  11.126  -0.586  25.743
  316    H    VAL  62           H        VAL  62   3.756  -2.748  24.678
  317    HA   VAL  62           HA       VAL  62   3.686  -1.810  21.947
  318    HB   VAL  62           HB       VAL  62   2.160  -4.015  23.370
  319   1HG1  VAL  62          1HG1      VAL  62   2.193  -3.157  20.470
  320   2HG1  VAL  62          2HG1      VAL  62   0.793  -3.430  21.507
  321   3HG1  VAL  62          3HG1      VAL  62   1.761  -4.797  20.955
  322   1HG2  VAL  62          1HG2      VAL  62   3.753  -5.490  22.352
  323   2HG2  VAL  62          2HG2      VAL  62   4.688  -4.174  23.058
  324   3HG2  VAL  62          3HG2      VAL  62   4.383  -4.205  21.322
  325    H    GLN  63           H        GLN  63   1.407  -1.700  24.652
  326    HA   GLN  63           HA       GLN  63  -0.835  -0.732  23.118
  327   1HB   GLN  63          1HB       GLN  63  -0.096  -0.787  26.034
  328   2HB   GLN  63          2HB       GLN  63  -1.435   0.243  25.532
  329   1HG   GLN  63          1HG       GLN  63  -1.279  -2.665  24.710
  330   2HG   GLN  63          2HG       GLN  63  -2.016  -2.168  26.232
  331   1HE2  GLN  63          1HE2      GLN  63  -4.067  -3.066  25.169
  332   2HE2  GLN  63          2HE2      GLN  63  -4.940  -2.043  24.134
  333    H    SER  64           H        SER  64   1.900   0.827  24.725
  334    HA   SER  64           HA       SER  64   0.956   3.526  24.444
  335   1HB   SER  64          1HB       SER  64   2.839   2.877  25.934
  336   2HB   SER  64          2HB       SER  64   3.816   2.512  24.512
  337    HG   SER  64           HG       SER  64   4.307   4.538  24.545
  338    H    LEU  65           H        LEU  65   2.829   1.377  22.326
  339    HA   LEU  65           HA       LEU  65   3.281   3.432  20.324
  340   1HB   LEU  65          1HB       LEU  65   3.777   0.498  20.620
  341   2HB   LEU  65          2HB       LEU  65   3.693   1.110  18.976
  342    HG   LEU  65           HG       LEU  65   5.401   2.539  21.014
  343   1HD1  LEU  65          1HD1      LEU  65   6.065  -0.006  19.527
  344   2HD1  LEU  65          2HD1      LEU  65   6.239   0.327  21.250
  345   3HD1  LEU  65          3HD1      LEU  65   7.317   1.102  20.089
  346   1HD2  LEU  65          1HD2      LEU  65   6.730   3.042  18.952
  347   2HD2  LEU  65          2HD2      LEU  65   5.074   3.636  18.860
  348   3HD2  LEU  65          3HD2      LEU  65   5.531   2.165  18.004
  349    H    VAL  66           H        VAL  66   1.058   0.654  20.639
  350    HA   VAL  66           HA       VAL  66  -0.320   0.962  18.194
  351    HB   VAL  66           HB       VAL  66  -1.154  -0.023  20.929
  352   1HG1  VAL  66          1HG1      VAL  66  -3.223   0.736  20.020
  353   2HG1  VAL  66          2HG1      VAL  66  -3.165  -0.998  19.707
  354   3HG1  VAL  66          3HG1      VAL  66  -2.812   0.145  18.412
  355   1HG2  VAL  66          1HG2      VAL  66   0.457  -1.344  19.552
  356   2HG2  VAL  66          2HG2      VAL  66  -0.765  -1.447  18.284
  357   3HG2  VAL  66          3HG2      VAL  66  -1.053  -2.203  19.850
  358    H    ASP  67           H        ASP  67  -0.608   2.691  21.254
  359    HA   ASP  67           HA       ASP  67  -2.969   4.198  20.458
  360   1HB   ASP  67          1HB       ASP  67  -0.996   4.314  22.737
  361   2HB   ASP  67          2HB       ASP  67  -2.135   5.631  22.492
  362    H    THR  68           H        THR  68   0.536   4.687  20.325
  363    HA   THR  68           HA       THR  68   0.438   7.487  19.682
  364    HB   THR  68           HB       THR  68   2.596   5.581  18.758
  365    HG1  THR  68           HG1      THR  68   1.764   6.211  21.301
  366   1HG2  THR  68          1HG2      THR  68   4.021   7.472  18.957
  367   2HG2  THR  68          2HG2      THR  68   2.828   8.365  19.900
  368   3HG2  THR  68          3HG2      THR  68   2.557   8.077  18.182
  369    H    ILE  69           H        ILE  69   0.840   4.596  17.618
  370    HA   ILE  69           HA       ILE  69   0.822   5.948  15.126
  371    HB   ILE  69           HB       ILE  69  -0.309   3.195  15.727
  372   1HG1  ILE  69          1HG1      ILE  69   2.519   4.147  15.182
  373   2HG1  ILE  69          2HG1      ILE  69   1.940   3.307  16.614
  374   1HG2  ILE  69          1HG2      ILE  69   0.984   4.230  13.186
  375   2HG2  ILE  69          2HG2      ILE  69  -0.760   4.246  13.439
  376   3HG2  ILE  69          3HG2      ILE  69   0.109   2.716  13.405
  377   1HD1  ILE  69          1HD1      ILE  69   1.327   1.366  15.088
  378   2HD1  ILE  69          2HD1      ILE  69   3.053   1.658  15.293
  379   3HD1  ILE  69          3HD1      ILE  69   2.238   2.188  13.822
  380    H    ARG  70           H        ARG  70  -1.857   4.708  17.105
  381    HA   ARG  70           HA       ARG  70  -3.886   5.517  15.178
  382   1HB   ARG  70          1HB       ARG  70  -3.826   4.258  17.881
  383   2HB   ARG  70          2HB       ARG  70  -5.288   5.155  17.503
  384   1HG   ARG  70          1HG       ARG  70  -5.518   3.843  15.400
  385   2HG   ARG  70          2HG       ARG  70  -4.090   2.912  15.850
  386   1HD   ARG  70          1HD       ARG  70  -5.240   2.207  17.940
  387   2HD   ARG  70          2HD       ARG  70  -6.678   3.088  17.424
  388    HE   ARG  70           HE       ARG  70  -6.098   1.368  15.306
  389   1HH1  ARG  70          1HH1      ARG  70  -6.694   1.141  18.694
  390   2HH1  ARG  70          2HH1      ARG  70  -7.412  -0.432  18.598
  391   1HH2  ARG  70          1HH2      ARG  70  -7.032  -0.685  15.160
  392   2HH2  ARG  70          2HH2      ARG  70  -7.604  -1.466  16.597
  393    H    GLU  71           H        GLU  71  -2.424   7.002  18.044
  394    HA   GLU  71           HA       GLU  71  -4.387   9.192  18.045
  395   1HB   GLU  71          1HB       GLU  71  -3.318   8.272  20.142
  396   2HB   GLU  71          2HB       GLU  71  -1.794   8.973  19.599
  397   1HG   GLU  71          1HG       GLU  71  -2.822  10.559  21.091
  398   2HG   GLU  71          2HG       GLU  71  -2.982  11.201  19.458
  399    H    ASP  72           H        ASP  72  -1.043   8.640  17.034
  400    HA   ASP  72           HA       ASP  72  -1.180  10.999  15.300
  401   1HB   ASP  72          1HB       ASP  72  -0.495  11.835  17.594
  402   2HB   ASP  72          2HB       ASP  72   0.980  10.889  17.406
  403    HA   PRO  73           HA       PRO  73   1.469   7.625  13.626
  404   1HB   PRO  73          1HB       PRO  73   1.039   8.089  10.971
  405   2HB   PRO  73          2HB       PRO  73  -0.110   7.206  11.994
  406   1HG   PRO  73          1HG       PRO  73  -0.171  10.057  11.097
  407   2HG   PRO  73          2HG       PRO  73  -1.493   8.885  11.202
  408   1HD   PRO  73          1HD       PRO  73  -1.042  10.822  13.095
  409   2HD   PRO  73          2HD       PRO  73  -1.820   9.270  13.470
  410    H    ASP  74           H        ASP  74   1.785  11.026  13.382
  411    HA   ASP  74           HA       ASP  74   4.208  10.948  11.706
  412   1HB   ASP  74          1HB       ASP  74   2.719  13.162  13.132
  413   2HB   ASP  74          2HB       ASP  74   4.279  13.434  12.356
  414    H    SER  75           H        SER  75   3.412  11.101  15.147
  415    HA   SER  75           HA       SER  75   6.121  11.811  15.968
  416   1HB   SER  75          1HB       SER  75   5.171  10.976  18.244
  417   2HB   SER  75          2HB       SER  75   4.462  12.423  17.527
  418    HG   SER  75           HG       SER  75   3.152  10.451  16.479
  419    H    VAL  76           H        VAL  76   5.498   9.313  14.256
  420    HA   VAL  76           HA       VAL  76   6.965   7.339  15.968
  421    HB   VAL  76           HB       VAL  76   5.078   6.491  13.773
  422   1HG1  VAL  76          1HG1      VAL  76   6.690   4.928  15.061
  423   2HG1  VAL  76          2HG1      VAL  76   5.000   4.441  14.958
  424   3HG1  VAL  76          3HG1      VAL  76   5.615   5.168  16.441
  425   1HG2  VAL  76          1HG2      VAL  76   3.307   6.316  15.566
  426   2HG2  VAL  76          2HG2      VAL  76   3.702   7.966  15.088
  427   3HG2  VAL  76          3HG2      VAL  76   4.340   7.307  16.594
  428    HA   PRO  77           HA       PRO  77   9.497   8.092  12.229
  429   1HB   PRO  77          1HB       PRO  77  11.925   7.326  13.284
  430   2HB   PRO  77          2HB       PRO  77  11.212   8.932  13.502
  431   1HG   PRO  77          1HG       PRO  77  11.357   6.633  15.383
  432   2HG   PRO  77          2HG       PRO  77  11.385   8.369  15.723
  433   1HD   PRO  77          1HD       PRO  77   9.156   6.683  16.026
  434   2HD   PRO  77          2HD       PRO  77   9.090   8.456  15.941
  435    HA   PRO  78           HA       PRO  78   9.814   3.995  10.546
  436   1HB   PRO  78          1HB       PRO  78  11.783   4.283   8.681
  437   2HB   PRO  78          2HB       PRO  78  10.190   5.041   8.512
  438   1HG   PRO  78          1HG       PRO  78  12.769   6.234   9.450
  439   2HG   PRO  78          2HG       PRO  78  11.558   6.908   8.349
  440   1HD   PRO  78          1HD       PRO  78  11.720   7.604  10.997
  441   2HD   PRO  78          2HD       PRO  78  10.199   7.634  10.091
  442    H    ILE  79           H        ILE  79  11.441   2.196  10.065
  443    HA   ILE  79           HA       ILE  79  13.591   2.169  12.168
  444    HB   ILE  79           HB       ILE  79  13.317  -0.383  11.883
  445   1HG1  ILE  79          1HG1      ILE  79  10.555   0.329  10.879
  446   2HG1  ILE  79          2HG1      ILE  79  11.871   0.087   9.730
  447   1HG2  ILE  79          1HG2      ILE  79  12.555   0.551  13.912
  448   2HG2  ILE  79          2HG2      ILE  79  11.146  -0.309  13.293
  449   3HG2  ILE  79          3HG2      ILE  79  11.256   1.443  13.120
  450   1HD1  ILE  79          1HD1      ILE  79  10.661  -2.011  10.077
  451   2HD1  ILE  79          2HD1      ILE  79  10.938  -1.904  11.815
  452   3HD1  ILE  79          3HD1      ILE  79  12.298  -2.146  10.719
  453    H    ASP  80           H        ASP  80  15.479   0.744  11.562
  454    HA   ASP  80           HA       ASP  80  16.299   1.351   8.783
  455   1HB   ASP  80          1HB       ASP  80  17.778   1.662  10.884
  456   2HB   ASP  80          2HB       ASP  80  17.953  -0.093  10.865
  457    H    VAL  81           H        VAL  81  16.475  -0.199   7.216
  458    HA   VAL  81           HA       VAL  81  16.212  -3.079   7.976
  459    HB   VAL  81           HB       VAL  81  14.471  -1.475   6.093
  460   1HG1  VAL  81          1HG1      VAL  81  15.004  -4.453   6.034
  461   2HG1  VAL  81          2HG1      VAL  81  15.148  -3.309   4.701
  462   3HG1  VAL  81          3HG1      VAL  81  13.559  -3.720   5.343
  463   1HG2  VAL  81          1HG2      VAL  81  13.671  -1.771   8.377
  464   2HG2  VAL  81          2HG2      VAL  81  13.951  -3.510   8.283
  465   3HG2  VAL  81          3HG2      VAL  81  12.695  -2.764   7.294
  466    H    LEU  82           H        LEU  82  17.459  -4.424   6.747
  467    HA   LEU  82           HA       LEU  82  19.401  -3.163   4.930
  468   1HB   LEU  82          1HB       LEU  82  19.116  -6.056   5.788
  469   2HB   LEU  82          2HB       LEU  82  20.510  -5.350   4.975
  470    HG   LEU  82           HG       LEU  82  19.565  -4.132   7.573
  471   1HD1  LEU  82          1HD1      LEU  82  19.723  -6.572   7.989
  472   2HD1  LEU  82          2HD1      LEU  82  20.974  -5.670   8.843
  473   3HD1  LEU  82          3HD1      LEU  82  21.374  -6.555   7.370
  474   1HD2  LEU  82          1HD2      LEU  82  22.314  -4.531   6.356
  475   2HD2  LEU  82          2HD2      LEU  82  21.936  -3.580   7.792
  476   3HD2  LEU  82          3HD2      LEU  82  21.354  -3.058   6.212
  477    H    TRP  83           H        TRP  83  19.222  -3.181   2.758
  478    HA   TRP  83           HA       TRP  83  17.117  -4.880   1.486
  479   1HB   TRP  83          1HB       TRP  83  16.959  -2.447   1.146
  480   2HB   TRP  83          2HB       TRP  83  18.602  -2.411   0.548
  481    HD1  TRP  83           HD1      TRP  83  16.704  -5.384  -0.761
  482    HE1  TRP  83           HE1      TRP  83  16.049  -4.946  -3.221
  483    HE3  TRP  83           HE3      TRP  83  17.788  -0.414  -1.076
  484    HZ2  TRP  83           HZ2      TRP  83  16.002  -2.763  -5.075
  485    HZ3  TRP  83           HZ3      TRP  83  17.434   0.825  -3.203
  486    HH2  TRP  83           HH2      TRP  83  16.550  -0.347  -5.195
  487    H    ILE  84           H        ILE  84  18.026  -6.784   0.743
  488    HA   ILE  84           HA       ILE  84  20.656  -6.607  -0.707
  489    HB   ILE  84           HB       ILE  84  19.743  -8.969   0.958
  490   1HG1  ILE  84          1HG1      ILE  84  21.633  -6.699   1.644
  491   2HG1  ILE  84          2HG1      ILE  84  20.109  -7.064   2.451
  492   1HG2  ILE  84          1HG2      ILE  84  21.973  -9.774   0.622
  493   2HG2  ILE  84          2HG2      ILE  84  22.508  -8.224  -0.027
  494   3HG2  ILE  84          3HG2      ILE  84  21.416  -9.244  -0.965
  495   1HD1  ILE  84          1HD1      ILE  84  22.654  -8.695   2.451
  496   2HD1  ILE  84          2HD1      ILE  84  21.104  -9.370   2.953
  497   3HD1  ILE  84          3HD1      ILE  84  21.802  -8.011   3.836
  498    H    LYS  85           H        LYS  85  20.764  -7.698  -2.619
  499    HA   LYS  85           HA       LYS  85  18.237  -8.927  -3.621
  500   1HB   LYS  85          1HB       LYS  85  20.068  -7.002  -4.673
  501   2HB   LYS  85          2HB       LYS  85  20.256  -8.436  -5.674
  502   1HG   LYS  85          1HG       LYS  85  17.925  -8.450  -6.229
  503   2HG   LYS  85          2HG       LYS  85  17.563  -7.223  -5.029
  504   1HD   LYS  85          1HD       LYS  85  19.174  -5.694  -6.327
  505   2HD   LYS  85          2HD       LYS  85  19.082  -6.894  -7.615
  506   1HE   LYS  85          1HE       LYS  85  17.421  -5.164  -8.024
  507   2HE   LYS  85          2HE       LYS  85  16.586  -6.650  -7.580
  508   1HZ   LYS  85          1HZ       LYS  85  16.490  -5.810  -5.288
  509   2HZ   LYS  85          2HZ       LYS  85  15.667  -4.801  -6.378
  510   3HZ   LYS  85          3HZ       LYS  85  17.201  -4.358  -5.797
  511    H    GLY  86           H        GLY  86  18.408 -10.871  -4.918
  512   1HA   GLY  86          1HA       GLY  86  20.590 -12.653  -3.960
  513   2HA   GLY  86          2HA       GLY  86  19.051 -13.183  -4.628
  514    H    ALA  87           H        ALA  87  20.676 -14.560  -5.853
  515    HA   ALA  87           HA       ALA  87  22.314 -13.376  -7.900
  516   1HB   ALA  87          1HB       ALA  87  21.258 -16.154  -7.379
  517   2HB   ALA  87          2HB       ALA  87  22.916 -15.566  -7.267
  518   3HB   ALA  87          3HB       ALA  87  22.169 -15.793  -8.847
  519    H    GLN  88           H        GLN  88  18.936 -13.595  -7.690
  520    HA   GLN  88           HA       GLN  88  18.698 -13.296 -10.671
  521   1HB   GLN  88          1HB       GLN  88  16.636 -14.640  -8.912
  522   2HB   GLN  88          2HB       GLN  88  16.691 -14.596 -10.676
  523   1HG   GLN  88          1HG       GLN  88  18.966 -15.770 -10.477
  524   2HG   GLN  88          2HG       GLN  88  18.543 -16.066  -8.791
  525   1HE2  GLN  88          1HE2      GLN  88  18.736 -18.425  -9.826
  526   2HE2  GLN  88          2HE2      GLN  88  17.282 -19.074 -10.405
  527    H    GLY  89           H        GLY  89  18.941 -11.138  -8.795
  528   1HA   GLY  89          1HA       GLY  89  17.943  -9.049  -8.479
  529   2HA   GLY  89          2HA       GLY  89  16.719  -9.549  -9.632
  530    H    GLY  90           H        GLY  90  16.405 -11.935  -7.515
  531   1HA   GLY  90          1HA       GLY  90  13.988 -11.100  -6.399
  532   2HA   GLY  90          2HA       GLY  90  14.990 -12.368  -5.704
  533    H    ASP  91           H        ASP  91  13.762  -9.280  -5.233
  534    HA   ASP  91           HA       ASP  91  15.859  -8.256  -3.497
  535   1HB   ASP  91          1HB       ASP  91  12.976  -7.421  -3.902
  536   2HB   ASP  91          2HB       ASP  91  14.111  -6.568  -2.877
  537    H    TYR  92           H        TYR  92  16.043  -8.584  -1.329
  538    HA   TYR  92           HA       TYR  92  13.812  -9.977   0.121
  539   1HB   TYR  92          1HB       TYR  92  16.793 -10.524   0.336
  540   2HB   TYR  92          2HB       TYR  92  15.545 -11.274   1.331
  541    HD1  TYR  92           HD1      TYR  92  13.877 -12.817   0.308
  542    HD2  TYR  92           HD2      TYR  92  17.133 -11.189  -1.975
  543    HE1  TYR  92           HE1      TYR  92  13.491 -14.513  -1.454
  544    HE2  TYR  92           HE2      TYR  92  16.743 -12.884  -3.732
  545    HH   TYR  92           HH       TYR  92  15.730 -14.994  -4.061
  546    H    PHE  93           H        PHE  93  13.193  -8.799   1.888
  547    HA   PHE  93           HA       PHE  93  15.000  -6.631   2.834
  548   1HB   PHE  93          1HB       PHE  93  12.033  -7.072   3.304
  549   2HB   PHE  93          2HB       PHE  93  12.961  -5.670   3.805
  550    HD1  PHE  93           HD1      PHE  93  11.137  -7.209   1.108
  551    HD2  PHE  93           HD2      PHE  93  14.138  -4.259   1.997
  552    HE1  PHE  93           HE1      PHE  93  10.816  -6.204  -1.131
  553    HE2  PHE  93           HE2      PHE  93  13.815  -3.267  -0.245
  554    HZ   PHE  93           HZ       PHE  93  12.158  -4.232  -1.808
  555    H    TYR  94           H        TYR  94  16.155  -7.069   4.585
  556    HA   TYR  94           HA       TYR  94  15.157  -9.070   6.576
  557   1HB   TYR  94          1HB       TYR  94  17.839  -8.202   5.573
  558   2HB   TYR  94          2HB       TYR  94  17.753  -8.593   7.288
  559    HD1  TYR  94           HD1      TYR  94  17.245 -10.822   8.060
  560    HD2  TYR  94           HD2      TYR  94  17.415  -9.906   3.869
  561    HE1  TYR  94           HE1      TYR  94  17.297 -13.245   7.522
  562    HE2  TYR  94           HE2      TYR  94  17.471 -12.323   3.339
  563    HH   TYR  94           HH       TYR  94  17.242 -14.393   4.163
  564    H    SER  95           H        SER  95  14.671  -8.374   8.624
  565    HA   SER  95           HA       SER  95  15.455  -5.570   9.391
  566   1HB   SER  95          1HB       SER  95  12.909  -6.220   8.809
  567   2HB   SER  95          2HB       SER  95  12.926  -6.714  10.494
  568    HG   SER  95           HG       SER  95  13.184  -4.714  11.115
  569    H    PHE  96           H        PHE  96  16.345  -5.385  11.383
  570    HA   PHE  96           HA       PHE  96  16.171  -7.676  13.301
  571   1HB   PHE  96          1HB       PHE  96  18.656  -6.213  12.373
  572   2HB   PHE  96          2HB       PHE  96  18.580  -7.173  13.850
  573    HD1  PHE  96           HD1      PHE  96  19.145  -7.269  10.334
  574    HD2  PHE  96           HD2      PHE  96  17.703  -9.617  13.611
  575    HE1  PHE  96           HE1      PHE  96  19.585  -9.328   9.041
  576    HE2  PHE  96           HE2      PHE  96  18.123 -11.687  12.311
  577    HZ   PHE  96           HZ       PHE  96  19.065 -11.542  10.027
  578    H    GLY  97           H        GLY  97  14.714  -6.335  14.486
  579   1HA   GLY  97          1HA       GLY  97  15.203  -4.978  16.663
  580   2HA   GLY  97          2HA       GLY  97  15.745  -3.740  15.533
  581    H    GLY  98           H        GLY  98  13.952  -2.435  16.509
  582   1HA   GLY  98          1HA       GLY  98  11.729  -1.621  16.529
  583   2HA   GLY  98          2HA       GLY  98  11.783  -2.072  14.829
  584    H    CYS  99           H        CYS  99  12.120  -4.588  17.242
  585    HA   CYS  99           HA       CYS  99  10.018  -6.148  16.172
  586   1HB   CYS  99          1HB       CYS  99  10.832  -6.350  19.068
  587   2HB   CYS  99          2HB       CYS  99  10.420  -7.641  17.939
  588    HG   CYS  99           HG       CYS  99  12.958  -6.052  17.211
  589    H    HIS 100           H        HIS 100   9.993  -4.258  19.227
  590    HA   HIS 100           HA       HIS 100   7.265  -4.664  19.835
  591   1HB   HIS 100          1HB       HIS 100   9.203  -2.436  20.449
  592   2HB   HIS 100          2HB       HIS 100   7.521  -2.313  20.957
  593    HD1  HIS 100           HD1      HIS 100  10.441  -4.750  21.257
  594    HD2  HIS 100           HD2      HIS 100   6.988  -3.667  23.335
  595    HE1  HIS 100           HE1      HIS 100  10.462  -6.068  23.420
  596    H    ARG 101           H        ARG 101   8.766  -2.230  17.714
  597    HA   ARG 101           HA       ARG 101   6.304  -0.828  17.201
  598   1HB   ARG 101          1HB       ARG 101   8.924  -0.987  15.696
  599   2HB   ARG 101          2HB       ARG 101   7.568  -0.014  15.127
  600   1HG   ARG 101          1HG       ARG 101   7.538   1.145  17.350
  601   2HG   ARG 101          2HG       ARG 101   8.977   0.235  17.804
  602   1HD   ARG 101          1HD       ARG 101   8.935   1.881  15.276
  603   2HD   ARG 101          2HD       ARG 101   9.283   2.629  16.834
  604    HE   ARG 101           HE       ARG 101  10.890   0.242  16.255
  605   1HH1  ARG 101          1HH1      ARG 101  10.527   3.665  16.036
  606   2HH1  ARG 101          2HH1      ARG 101  12.227   3.971  15.914
  607   1HH2  ARG 101          1HH2      ARG 101  13.113   0.624  16.101
  608   2HH2  ARG 101          2HH2      ARG 101  13.690   2.250  15.951
  609    H    TYR 102           H        TYR 102   7.784  -3.702  15.796
  610    HA   TYR 102           HA       TYR 102   6.090  -3.822  13.467
  611   1HB   TYR 102          1HB       TYR 102   8.061  -5.182  13.448
  612   2HB   TYR 102          2HB       TYR 102   7.662  -5.915  14.995
  613    HD1  TYR 102           HD1      TYR 102   7.067  -6.006  11.379
  614    HD2  TYR 102           HD2      TYR 102   5.803  -7.510  15.195
  615    HE1  TYR 102           HE1      TYR 102   5.839  -7.845  10.251
  616    HE2  TYR 102           HE2      TYR 102   4.566  -9.337  14.073
  617    HH   TYR 102           HH       TYR 102   5.073 -10.255  10.969
  618    H    ALA 103           H        ALA 103   5.833  -5.151  16.756
  619    HA   ALA 103           HA       ALA 103   3.426  -6.629  16.391
  620   1HB   ALA 103          1HB       ALA 103   4.981  -6.618  18.429
  621   2HB   ALA 103          2HB       ALA 103   3.251  -6.652  18.768
  622   3HB   ALA 103          3HB       ALA 103   4.150  -5.142  18.922
  623    H    ALA 104           H        ALA 104   3.942  -3.219  17.298
  624    HA   ALA 104           HA       ALA 104   1.192  -2.596  17.721
  625   1HB   ALA 104          1HB       ALA 104   1.973  -0.212  17.122
  626   2HB   ALA 104          2HB       ALA 104   3.577  -0.920  16.926
  627   3HB   ALA 104          3HB       ALA 104   2.767  -0.992  18.491
  628    H    TYR 105           H        TYR 105   3.213  -2.323  14.784
  629    HA   TYR 105           HA       TYR 105   1.064  -1.350  13.131
  630   1HB   TYR 105          1HB       TYR 105   3.835  -2.412  12.729
  631   2HB   TYR 105          2HB       TYR 105   2.767  -2.447  11.336
  632    HD1  TYR 105           HD1      TYR 105   4.787  -0.368  13.509
  633    HD2  TYR 105           HD2      TYR 105   1.670  -0.312  10.553
  634    HE1  TYR 105           HE1      TYR 105   5.194   2.048  13.126
  635    HE2  TYR 105           HE2      TYR 105   2.077   2.106  10.171
  636    HH   TYR 105           HH       TYR 105   3.842   4.024  12.260
  637    H    GLN 106           H        GLN 106   2.401  -4.590  13.766
  638    HA   GLN 106           HA       GLN 106   0.735  -5.964  11.893
  639   1HB   GLN 106          1HB       GLN 106   2.845  -6.842  12.988
  640   2HB   GLN 106          2HB       GLN 106   1.914  -7.061  14.463
  641   1HG   GLN 106          1HG       GLN 106   0.492  -8.251  12.201
  642   2HG   GLN 106          2HG       GLN 106   2.131  -8.882  12.271
  643   1HE2  GLN 106          1HE2      GLN 106  -0.370  -8.060  14.784
  644   2HE2  GLN 106          2HE2      GLN 106  -0.209  -9.534  15.607
  645    H    GLN 107           H        GLN 107   0.319  -4.971  15.250
  646    HA   GLN 107           HA       GLN 107  -2.074  -6.521  15.717
  647   1HB   GLN 107          1HB       GLN 107  -0.761  -5.699  17.596
  648   2HB   GLN 107          2HB       GLN 107  -0.998  -4.031  17.076
  649   1HG   GLN 107          1HG       GLN 107  -3.251  -4.007  17.711
  650   2HG   GLN 107          2HG       GLN 107  -3.407  -5.758  17.603
  651   1HE2  GLN 107          1HE2      GLN 107  -4.047  -6.234  19.752
  652   2HE2  GLN 107          2HE2      GLN 107  -3.102  -5.874  21.115
  653    H    LEU 108           H        LEU 108  -1.469  -3.171  14.671
  654    HA   LEU 108           HA       LEU 108  -4.280  -2.481  14.546
  655   1HB   LEU 108          1HB       LEU 108  -1.817  -1.234  13.301
  656   2HB   LEU 108          2HB       LEU 108  -3.428  -0.535  13.167
  657    HG   LEU 108           HG       LEU 108  -2.064  -1.171  15.804
  658   1HD1  LEU 108          1HD1      LEU 108  -0.992   0.667  14.351
  659   2HD1  LEU 108          2HD1      LEU 108  -1.454   1.116  15.992
  660   3HD1  LEU 108          3HD1      LEU 108  -2.473   1.583  14.630
  661   1HD2  LEU 108          1HD2      LEU 108  -4.299  -1.068  16.381
  662   2HD2  LEU 108          2HD2      LEU 108  -4.726  -0.030  15.022
  663   3HD2  LEU 108          3HD2      LEU 108  -3.934   0.652  16.439
  664    H    GLN 109           H        GLN 109  -2.916  -4.841  12.957
  665    HA   GLN 109           HA       GLN 109  -3.179  -5.841  10.846
  666   1HB   GLN 109          1HB       GLN 109  -5.807  -4.344  10.831
  667   2HB   GLN 109          2HB       GLN 109  -5.446  -5.908  10.099
  668   1HG   GLN 109          1HG       GLN 109  -5.466  -5.299  13.072
  669   2HG   GLN 109          2HG       GLN 109  -6.693  -6.214  12.197
  670   1HE2  GLN 109          1HE2      GLN 109  -4.993  -7.253  14.385
  671   2HE2  GLN 109          2HE2      GLN 109  -4.085  -8.527  13.726
  672    H    ARG 110           H        ARG 110  -1.855  -3.193  10.806
  673    HA   ARG 110           HA       ARG 110  -2.899  -1.671   8.590
  674   1HB   ARG 110          1HB       ARG 110  -0.150  -1.818   9.857
  675   2HB   ARG 110          2HB       ARG 110  -0.539  -0.708   8.547
  676   1HG   ARG 110          1HG       ARG 110  -2.285  -0.752  11.012
  677   2HG   ARG 110          2HG       ARG 110  -0.741   0.091  11.065
  678   1HD   ARG 110          1HD       ARG 110  -1.375   1.527   9.225
  679   2HD   ARG 110          2HD       ARG 110  -2.842   0.598   8.938
  680    HE   ARG 110           HE       ARG 110  -3.855   1.664  10.803
  681   1HH1  ARG 110          1HH1      ARG 110  -0.469   2.296  10.564
  682   2HH1  ARG 110          2HH1      ARG 110  -0.491   3.562  11.744
  683   1HH2  ARG 110          1HH2      ARG 110  -3.896   3.309  12.346
  684   2HH2  ARG 110          2HH2      ARG 110  -2.429   4.134  12.755
  685    H    GLU 111           H        GLU 111  -1.960  -1.578   6.447
  686    HA   GLU 111           HA       GLU 111  -1.377  -4.252   5.421
  687   1HB   GLU 111          1HB       GLU 111  -1.714  -1.544   4.121
  688   2HB   GLU 111          2HB       GLU 111  -1.244  -2.974   3.201
  689   1HG   GLU 111          1HG       GLU 111  -3.672  -2.705   3.108
  690   2HG   GLU 111          2HG       GLU 111  -3.277  -4.142   4.050
  691    H    THR 112           H        THR 112   0.458  -1.182   5.723
  692    HA   THR 112           HA       THR 112   2.964  -2.775   5.212
  693    HB   THR 112           HB       THR 112   3.832  -0.723   4.040
  694    HG1  THR 112           HG1      THR 112   2.562   0.900   4.580
  695   1HG2  THR 112          1HG2      THR 112   1.777  -1.104   2.173
  696   2HG2  THR 112          2HG2      THR 112   1.834  -2.629   3.054
  697   3HG2  THR 112          3HG2      THR 112   3.280  -2.013   2.255
  698    H    ILE 113           H        ILE 113   4.923  -1.274   5.807
  699    HA   ILE 113           HA       ILE 113   4.308   0.369   8.219
  700    HB   ILE 113           HB       ILE 113   4.918  -1.978   8.916
  701   1HG1  ILE 113          1HG1      ILE 113   6.944   0.133   9.699
  702   2HG1  ILE 113          2HG1      ILE 113   5.292   0.096  10.313
  703   1HG2  ILE 113          1HG2      ILE 113   7.130  -2.797   8.578
  704   2HG2  ILE 113          2HG2      ILE 113   7.711  -1.230   8.021
  705   3HG2  ILE 113          3HG2      ILE 113   6.638  -2.184   7.000
  706   1HD1  ILE 113          1HD1      ILE 113   5.792  -2.309  11.058
  707   2HD1  ILE 113          2HD1      ILE 113   6.620  -1.033  11.950
  708   3HD1  ILE 113          3HD1      ILE 113   7.485  -1.952  10.718
  709    HA   PRO 114           HA       PRO 114   7.423   2.903   6.164
  710   1HB   PRO 114          1HB       PRO 114   8.007   4.221   8.760
  711   2HB   PRO 114          2HB       PRO 114   7.356   4.924   7.269
  712   1HG   PRO 114          1HG       PRO 114   5.851   4.574   9.478
  713   2HG   PRO 114          2HG       PRO 114   5.178   4.436   7.844
  714   1HD   PRO 114          1HD       PRO 114   5.978   2.249   9.754
  715   2HD   PRO 114          2HD       PRO 114   4.555   2.367   8.704
  716    H    ALA 115           H        ALA 115   9.529   2.364   5.753
  717    HA   ALA 115           HA       ALA 115  11.342   1.628   7.976
  718   1HB   ALA 115          1HB       ALA 115  10.966  -0.222   5.607
  719   2HB   ALA 115          2HB       ALA 115  10.190  -0.483   7.169
  720   3HB   ALA 115          3HB       ALA 115  11.950  -0.505   7.043
  721    H    LYS 116           H        LYS 116  13.367   2.360   7.576
  722    HA   LYS 116           HA       LYS 116  13.893   3.818   5.105
  723   1HB   LYS 116          1HB       LYS 116  15.374   3.317   7.684
  724   2HB   LYS 116          2HB       LYS 116  16.241   3.979   6.308
  725   1HG   LYS 116          1HG       LYS 116  14.530   5.800   6.159
  726   2HG   LYS 116          2HG       LYS 116  13.781   5.165   7.623
  727   1HD   LYS 116          1HD       LYS 116  16.667   6.086   7.420
  728   2HD   LYS 116          2HD       LYS 116  15.353   7.060   8.076
  729   1HE   LYS 116          1HE       LYS 116  14.950   4.984   9.641
  730   2HE   LYS 116          2HE       LYS 116  16.611   4.572   9.211
  731   1HZ   LYS 116          1HZ       LYS 116  15.821   7.241  10.225
  732   2HZ   LYS 116          2HZ       LYS 116  17.391   6.611  10.061
  733   3HZ   LYS 116          3HZ       LYS 116  16.339   5.985  11.240
  734    H    LEU 117           H        LEU 117  14.527   2.733   3.286
  735    HA   LEU 117           HA       LEU 117  15.728   0.060   3.497
  736   1HB   LEU 117          1HB       LEU 117  15.423   1.783   1.023
  737   2HB   LEU 117          2HB       LEU 117  15.716   0.049   1.072
  738    HG   LEU 117           HG       LEU 117  13.217   1.479   2.034
  739   1HD1  LEU 117          1HD1      LEU 117  12.228  -0.074   0.214
  740   2HD1  LEU 117          2HD1      LEU 117  13.888  -0.263  -0.345
  741   3HD1  LEU 117          3HD1      LEU 117  13.142   1.332  -0.338
  742   1HD2  LEU 117          1HD2      LEU 117  13.429  -0.351   3.511
  743   2HD2  LEU 117          2HD2      LEU 117  14.140  -1.386   2.271
  744   3HD2  LEU 117          3HD2      LEU 117  12.422  -0.993   2.216
  745    H    VAL 118           H        VAL 118  17.869  -0.419   3.339
  746    HA   VAL 118           HA       VAL 118  19.784   1.723   2.511
  747    HB   VAL 118           HB       VAL 118  20.052  -0.037   4.972
  748   1HG1  VAL 118          1HG1      VAL 118  22.219   0.363   3.943
  749   2HG1  VAL 118          2HG1      VAL 118  22.080   1.386   5.373
  750   3HG1  VAL 118          3HG1      VAL 118  21.859   2.081   3.767
  751   1HG2  VAL 118          1HG2      VAL 118  18.424   1.851   5.183
  752   2HG2  VAL 118          2HG2      VAL 118  19.716   2.969   4.748
  753   3HG2  VAL 118          3HG2      VAL 118  19.826   2.030   6.237
  754    H    GLN 119           H        GLN 119  20.741   0.838   0.739
  755    HA   GLN 119           HA       GLN 119  20.788  -1.854  -0.009
  756   1HB   GLN 119          1HB       GLN 119  22.859   0.301  -0.543
  757   2HB   GLN 119          2HB       GLN 119  22.840  -1.263  -1.356
  758   1HG   GLN 119          1HG       GLN 119  21.682   0.273  -2.798
  759   2HG   GLN 119          2HG       GLN 119  20.456  -0.745  -2.051
  760   1HE2  GLN 119          1HE2      GLN 119  18.731   0.816  -1.994
  761   2HE2  GLN 119          2HE2      GLN 119  18.818   2.258  -1.106
  762    H    SER 120           H        SER 120  21.900  -3.623   0.690
  763    HA   SER 120           HA       SER 120  24.322  -3.232   2.413
  764   1HB   SER 120          1HB       SER 120  21.839  -4.830   3.005
  765   2HB   SER 120          2HB       SER 120  23.380  -5.291   3.713
  766    HG   SER 120           HG       SER 120  21.844  -2.984   4.098
  767    H    THR 121           H        THR 121  25.250  -5.629   2.772
  768    HA   THR 121           HA       THR 121  25.203  -7.058   0.133
  769    HB   THR 121           HB       THR 121  27.679  -7.516   0.659
  770    HG1  THR 121           HG1      THR 121  26.950  -5.704   2.631
  771   1HG2  THR 121          1HG2      THR 121  28.364  -5.270  -0.229
  772   2HG2  THR 121          2HG2      THR 121  26.705  -4.723   0.013
  773   3HG2  THR 121          3HG2      THR 121  27.047  -6.017  -1.135
  774    H    LEU 122           H        LEU 122  25.860  -9.344   0.317
  775    HA   LEU 122           HA       LEU 122  24.497 -10.706   2.383
  776   1HB   LEU 122          1HB       LEU 122  25.234 -11.707   0.172
  777   2HB   LEU 122          2HB       LEU 122  26.859 -11.817   0.840
  778    HG   LEU 122           HG       LEU 122  25.908 -13.193   2.732
  779   1HD1  LEU 122          1HD1      LEU 122  23.614 -12.802   2.859
  780   2HD1  LEU 122          2HD1      LEU 122  23.621 -14.305   1.947
  781   3HD1  LEU 122          3HD1      LEU 122  23.409 -12.771   1.110
  782   1HD2  LEU 122          1HD2      LEU 122  27.013 -14.385   0.988
  783   2HD2  LEU 122          2HD2      LEU 122  25.679 -14.122  -0.137
  784   3HD2  LEU 122          3HD2      LEU 122  25.479 -15.225   1.225
  785    H    SER 123           H        SER 123  27.904  -9.692   2.223
  786    HA   SER 123           HA       SER 123  28.912 -11.118   4.439
  787   1HB   SER 123          1HB       SER 123  30.493  -9.876   3.192
  788   2HB   SER 123          2HB       SER 123  29.547  -8.392   3.307
  789    HG   SER 123           HG       SER 123  29.930  -8.581   5.642
  790    H    ASP 124           H        ASP 124  27.225  -7.961   4.389
  791    HA   ASP 124           HA       ASP 124  27.352  -7.397   7.150
  792   1HB   ASP 124          1HB       ASP 124  25.458  -6.727   4.918
  793   2HB   ASP 124          2HB       ASP 124  24.977  -6.325   6.554
  794    H    LEU 125           H        LEU 125  24.931  -9.275   5.313
  795    HA   LEU 125           HA       LEU 125  23.300  -9.939   7.533
  796   1HB   LEU 125          1HB       LEU 125  23.021 -10.366   4.922
  797   2HB   LEU 125          2HB       LEU 125  23.731 -11.926   5.315
  798    HG   LEU 125           HG       LEU 125  21.928 -12.062   7.179
  799   1HD1  LEU 125          1HD1      LEU 125  20.857  -9.797   5.470
  800   2HD1  LEU 125          2HD1      LEU 125  21.065  -9.820   7.218
  801   3HD1  LEU 125          3HD1      LEU 125  19.816 -10.803   6.470
  802   1HD2  LEU 125          1HD2      LEU 125  20.290 -12.969   5.597
  803   2HD2  LEU 125          2HD2      LEU 125  21.925 -13.409   5.104
  804   3HD2  LEU 125          3HD2      LEU 125  21.073 -12.109   4.272
  805    H    ARG 126           H        ARG 126  26.241 -11.459   6.271
  806    HA   ARG 126           HA       ARG 126  26.258 -13.802   7.888
  807   1HB   ARG 126          1HB       ARG 126  27.887 -13.165   6.015
  808   2HB   ARG 126          2HB       ARG 126  28.707 -12.152   7.202
  809   1HG   ARG 126          1HG       ARG 126  28.794 -14.275   8.674
  810   2HG   ARG 126          2HG       ARG 126  28.392 -15.155   7.198
  811   1HD   ARG 126          1HD       ARG 126  30.365 -13.906   6.120
  812   2HD   ARG 126          2HD       ARG 126  30.835 -13.471   7.763
  813    HE   ARG 126           HE       ARG 126  31.078 -16.117   6.556
  814   1HH1  ARG 126          1HH1      ARG 126  30.698 -14.263   9.438
  815   2HH1  ARG 126          2HH1      ARG 126  31.399 -15.468  10.465
  816   1HH2  ARG 126          1HH2      ARG 126  31.996 -17.702   7.881
  817   2HH2  ARG 126          2HH2      ARG 126  32.134 -17.416   9.583
  818    H    VAL 127           H        VAL 127  27.162 -10.462   8.650
  819    HA   VAL 127           HA       VAL 127  28.414 -10.967  11.159
  820    HB   VAL 127           HB       VAL 127  26.721  -8.584  10.339
  821   1HG1  VAL 127          1HG1      VAL 127  28.115  -7.435  12.095
  822   2HG1  VAL 127          2HG1      VAL 127  28.712  -9.022  12.580
  823   3HG1  VAL 127          3HG1      VAL 127  27.000  -8.637  12.744
  824   1HG2  VAL 127          1HG2      VAL 127  28.630  -8.990   8.830
  825   2HG2  VAL 127          2HG2      VAL 127  29.712  -9.079  10.217
  826   3HG2  VAL 127          3HG2      VAL 127  28.914  -7.559   9.817
  827    H    TYR 128           H        TYR 128  25.024 -10.756  10.172
  828    HA   TYR 128           HA       TYR 128  24.096 -11.016  12.984
  829   1HB   TYR 128          1HB       TYR 128  22.592 -10.890  10.358
  830   2HB   TYR 128          2HB       TYR 128  21.824 -11.020  11.937
  831    HD1  TYR 128           HD1      TYR 128  23.498  -8.822   9.581
  832    HD2  TYR 128           HD2      TYR 128  22.075  -9.184  13.613
  833    HE1  TYR 128           HE1      TYR 128  23.613  -6.361   9.839
  834    HE2  TYR 128           HE2      TYR 128  22.196  -6.722  13.878
  835    HH   TYR 128           HH       TYR 128  22.980  -4.618  11.147
  836    H    LEU 129           H        LEU 129  23.845 -12.908   9.962
  837    HA   LEU 129           HA       LEU 129  23.146 -15.329  11.582
  838   1HB   LEU 129          1HB       LEU 129  22.601 -14.672   8.679
  839   2HB   LEU 129          2HB       LEU 129  22.110 -16.143   9.506
  840    HG   LEU 129           HG       LEU 129  21.175 -13.324  10.104
  841   1HD1  LEU 129          1HD1      LEU 129  19.915 -15.773   8.850
  842   2HD1  LEU 129          2HD1      LEU 129  20.024 -14.138   8.197
  843   3HD1  LEU 129          3HD1      LEU 129  18.933 -14.478   9.540
  844   1HD2  LEU 129          1HD2      LEU 129  19.557 -14.700  11.656
  845   2HD2  LEU 129          2HD2      LEU 129  21.169 -14.296  12.237
  846   3HD2  LEU 129          3HD2      LEU 129  20.839 -15.912  11.610
  847    H    GLY 130           H        GLY 130  25.875 -14.623  11.275
  848   1HA   GLY 130          1HA       GLY 130  27.101 -15.842   9.006
  849   2HA   GLY 130          2HA       GLY 130  27.908 -15.525  10.538
  850    H    ALA 131           H        ALA 131  25.057 -17.632  10.027
  851    HA   ALA 131           HA       ALA 131  26.714 -20.046  10.307
  852   1HB   ALA 131          1HB       ALA 131  26.533 -19.665  12.623
  853   2HB   ALA 131          2HB       ALA 131  25.190 -20.761  12.300
  854   3HB   ALA 131          3HB       ALA 131  24.894 -19.032  12.488
  855    H    SER 132           H        SER 132  23.295 -18.975  10.650
  856    HA   SER 132           HA       SER 132  22.477 -21.292   8.954
  857   1HB   SER 132          1HB       SER 132  20.963 -19.387  10.753
  858   2HB   SER 132          2HB       SER 132  20.145 -20.495   9.651
  859    HG   SER 132           HG       SER 132  21.372 -22.191  10.679
  860    H    THR 133           H        THR 133  23.851 -19.042   7.753
  861    HA   THR 133           HA       THR 133  21.914 -17.285   6.530
  862    HB   THR 133           HB       THR 133  24.488 -17.645   5.096
  863    HG1  THR 133           HG1      THR 133  24.628 -16.644   7.710
  864   1HG2  THR 133          1HG2      THR 133  23.575 -15.214   6.618
  865   2HG2  THR 133          2HG2      THR 133  22.807 -15.656   5.094
  866   3HG2  THR 133          3HG2      THR 133  24.534 -15.301   5.140
  867    HA   PRO 134           HA       PRO 134  20.951 -20.446   3.362
  868   1HB   PRO 134          1HB       PRO 134  18.743 -19.305   2.309
  869   2HB   PRO 134          2HB       PRO 134  18.720 -20.050   3.917
  870   1HG   PRO 134          1HG       PRO 134  18.925 -17.162   3.164
  871   2HG   PRO 134          2HG       PRO 134  17.963 -17.921   4.444
  872   1HD   PRO 134          1HD       PRO 134  20.422 -16.691   4.861
  873   2HD   PRO 134          2HD       PRO 134  19.746 -17.934   5.930
  874    H    ASP 135           H        ASP 135  20.215 -20.042   0.860
  875    HA   ASP 135           HA       ASP 135  22.230 -18.153  -0.278
  876   1HB   ASP 135          1HB       ASP 135  22.330 -20.654  -0.780
  877   2HB   ASP 135          2HB       ASP 135  20.851 -20.434  -1.710
  878    H    LEU 136           H        LEU 136  21.506 -16.477  -1.398
  879    HA   LEU 136           HA       LEU 136  18.598 -16.111  -1.782
  880   1HB   LEU 136          1HB       LEU 136  20.922 -14.236  -2.294
  881   2HB   LEU 136          2HB       LEU 136  19.219 -13.798  -2.394
  882    HG   LEU 136           HG       LEU 136  20.617 -14.821   0.095
  883   1HD1  LEU 136          1HD1      LEU 136  19.572 -12.046  -0.537
  884   2HD1  LEU 136          2HD1      LEU 136  21.267 -12.512  -0.682
  885   3HD1  LEU 136          3HD1      LEU 136  20.476 -12.539   0.895
  886   1HD2  LEU 136          1HD2      LEU 136  18.383 -15.439   0.405
  887   2HD2  LEU 136          2HD2      LEU 136  17.769 -14.094  -0.563
  888   3HD2  LEU 136          3HD2      LEU 136  18.378 -13.806   1.065
  889    H    GLN 137           H        GLN 137  17.583 -16.102  -3.721
  890    HA   GLN 137           HA       GLN 137  19.217 -16.360  -6.220
  891   1HB   GLN 137          1HB       GLN 137  16.590 -17.792  -5.789
  892   2HB   GLN 137          2HB       GLN 137  17.825 -18.107  -7.005
  893   1HG   GLN 137          1HG       GLN 137  18.057 -18.589  -4.023
  894   2HG   GLN 137          2HG       GLN 137  17.955 -19.821  -5.281
  895   1HE2  GLN 137          1HE2      GLN 137  20.220 -18.610  -3.282
  896   2HE2  GLN 137          2HE2      GLN 137  21.578 -18.631  -4.290
  897   1H5*  ATP   1          1H5*      ATP   1   9.544   2.508  19.597
  898   2H5*  ATP   1          2H5*      ATP   1  10.651   2.417  20.933
  899    H4*  ATP   1           H4*      ATP   1  11.043   4.673  18.924
  900    H3*  ATP   1           H3*      ATP   1  11.702   4.275  21.817
  901   *HO3  ATP   1          *HO3      ATP   1  13.083   4.900  20.109
  902    H2*  ATP   1           H2*      ATP   1  10.098   5.695  22.616
  903   *HO2  ATP   1          *HO2      ATP   1  12.016   7.040  21.347
  904    H1*  ATP   1           H1*      ATP   1   9.672   6.917  19.852
  905    H8   ATP   1           H8       ATP   1   7.564   8.429  20.215
  906    H2   ATP   1           H2       ATP   1   7.078   3.399  24.164
  907   1HN6  ATP   1          1HN6      ATP   1   3.396   5.999  24.147
  908   2HN6  ATP   1          2HN6      ATP   1   3.486   6.890  22.650
  Start of MODEL    6
    1   1H    GLY  17          1H        GLY  17  13.413   3.225 -35.701
    2   2H    GLY  17          2H        GLY  17  12.241   4.014 -36.645
    3   3H    GLY  17          3H        GLY  17  11.852   3.467 -35.084
    4   1HA   GLY  17          1HA       GLY  17  13.595   5.021 -34.210
    5   2HA   GLY  17          2HA       GLY  17  13.641   5.705 -35.835
    6    H    ALA  18           H        ALA  18  12.747   7.721 -35.199
    7    HA   ALA  18           HA       ALA  18   9.858   7.802 -35.111
    8   1HB   ALA  18          1HB       ALA  18  11.445   8.233 -32.589
    9   2HB   ALA  18          2HB       ALA  18   9.942   7.339 -32.810
   10   3HB   ALA  18          3HB       ALA  18   9.929   9.101 -32.830
   11    HA   PRO  19           HA       PRO  19  10.332  11.781 -37.010
   12   1HB   PRO  19          1HB       PRO  19   8.843  12.808 -34.600
   13   2HB   PRO  19          2HB       PRO  19   8.624  13.224 -36.311
   14   1HG   PRO  19          1HG       PRO  19   7.010  11.477 -35.073
   15   2HG   PRO  19          2HG       PRO  19   7.475  11.273 -36.769
   16   1HD   PRO  19          1HD       PRO  19   8.310   9.685 -34.399
   17   2HD   PRO  19          2HD       PRO  19   8.356   9.243 -36.118
   18    H    GLU  20           H        GLU  20  10.349  12.553 -33.514
   19    HA   GLU  20           HA       GLU  20  12.640  14.316 -33.844
   20   1HB   GLU  20          1HB       GLU  20  10.771  14.583 -32.126
   21   2HB   GLU  20          2HB       GLU  20  11.526  13.261 -31.235
   22   1HG   GLU  20          1HG       GLU  20  12.423  15.278 -30.308
   23   2HG   GLU  20          2HG       GLU  20  13.692  14.609 -31.334
   24    H    GLY  21           H        GLY  21  14.439  13.117 -34.508
   25   1HA   GLY  21          1HA       GLY  21  15.196  10.561 -33.541
   26   2HA   GLY  21          2HA       GLY  21  16.314  11.733 -34.236
   27    HA   PRO  22           HA       PRO  22  18.205  13.040 -30.471
   28   1HB   PRO  22          1HB       PRO  22  16.348  15.397 -30.254
   29   2HB   PRO  22          2HB       PRO  22  18.115  15.340 -30.090
   30   1HG   PRO  22          1HG       PRO  22  16.984  16.228 -32.327
   31   2HG   PRO  22          2HG       PRO  22  18.447  15.230 -32.384
   32   1HD   PRO  22          1HD       PRO  22  15.620  14.484 -33.049
   33   2HD   PRO  22          2HD       PRO  22  17.137  13.868 -33.738
   34    H    GLY  23           H        GLY  23  17.946  12.358 -28.361
   35   1HA   GLY  23          1HA       GLY  23  15.373  11.368 -27.490
   36   2HA   GLY  23          2HA       GLY  23  16.839  11.416 -26.511
   37    HA   PRO  24           HA       PRO  24  13.485  14.426 -24.931
   38   1HB   PRO  24          1HB       PRO  24  14.869  13.378 -22.474
   39   2HB   PRO  24          2HB       PRO  24  13.157  13.778 -22.714
   40   1HG   PRO  24          1HG       PRO  24  13.981  11.250 -22.744
   41   2HG   PRO  24          2HG       PRO  24  12.733  11.811 -23.869
   42   1HD   PRO  24          1HD       PRO  24  15.613  11.167 -24.406
   43   2HD   PRO  24          2HD       PRO  24  14.205  11.004 -25.478
   44    H    SER  25           H        SER  25  16.546  14.048 -23.108
   45    HA   SER  25           HA       SER  25  16.899  16.939 -22.988
   46   1HB   SER  25          1HB       SER  25  17.645  15.314 -21.196
   47   2HB   SER  25          2HB       SER  25  18.921  14.791 -22.296
   48    HG   SER  25           HG       SER  25  18.525  17.314 -21.103
   49    H    GLY  26           H        GLY  26  19.493  17.475 -23.474
   50   1HA   GLY  26          1HA       GLY  26  20.909  16.426 -25.584
   51   2HA   GLY  26          2HA       GLY  26  19.634  17.340 -26.390
   52    H    GLY  27           H        GLY  27  21.254  18.165 -23.338
   53   1HA   GLY  27          1HA       GLY  27  23.002  20.142 -24.523
   54   2HA   GLY  27          2HA       GLY  27  21.557  20.893 -23.845
   55    H    ALA  28           H        ALA  28  22.736  21.927 -22.153
   56    HA   ALA  28           HA       ALA  28  24.410  20.357 -20.345
   57   1HB   ALA  28          1HB       ALA  28  23.302  23.169 -20.073
   58   2HB   ALA  28          2HB       ALA  28  24.877  22.745 -20.744
   59   3HB   ALA  28          3HB       ALA  28  24.538  22.453 -19.038
   60    H    GLN  29           H        GLN  29  21.056  21.024 -20.641
   61    HA   GLN  29           HA       GLN  29  20.215  20.990 -17.932
   62   1HB   GLN  29          1HB       GLN  29  18.861  19.900 -20.417
   63   2HB   GLN  29          2HB       GLN  29  18.065  20.061 -18.851
   64   1HG   GLN  29          1HG       GLN  29  18.562  22.493 -18.869
   65   2HG   GLN  29          2HG       GLN  29  19.305  22.317 -20.459
   66   1HE2  GLN  29          1HE2      GLN  29  16.815  20.104 -20.402
   67   2HE2  GLN  29          2HE2      GLN  29  15.583  21.053 -21.081
   68    H    GLY  30           H        GLY  30  20.710  18.267 -20.195
   69   1HA   GLY  30          1HA       GLY  30  20.131  16.282 -18.144
   70   2HA   GLY  30          2HA       GLY  30  20.784  15.950 -19.748
   71    H    GLY  31           H        GLY  31  22.269  18.272 -17.573
   72   1HA   GLY  31          1HA       GLY  31  24.794  16.809 -17.707
   73   2HA   GLY  31          2HA       GLY  31  24.525  18.335 -16.864
   74    H    SER  32           H        SER  32  22.100  16.273 -15.929
   75    HA   SER  32           HA       SER  32  22.856  16.077 -13.240
   76   1HB   SER  32          1HB       SER  32  21.232  14.029 -14.781
   77   2HB   SER  32          2HB       SER  32  21.198  14.292 -13.037
   78    HG   SER  32           HG       SER  32  20.722  16.606 -13.858
   79    H    ILE  33           H        ILE  33  23.189  13.746 -12.171
   80    HA   ILE  33           HA       ILE  33  24.811  11.857 -13.636
   81    HB   ILE  33           HB       ILE  33  26.461  13.681 -13.479
   82   1HG1  ILE  33          1HG1      ILE  33  27.139  11.518 -11.468
   83   2HG1  ILE  33          2HG1      ILE  33  27.111  11.237 -13.209
   84   1HG2  ILE  33          1HG2      ILE  33  25.380  14.634 -11.366
   85   2HG2  ILE  33          2HG2      ILE  33  27.143  14.608 -11.385
   86   3HG2  ILE  33          3HG2      ILE  33  26.253  13.388 -10.475
   87   1HD1  ILE  33          1HD1      ILE  33  29.395  11.776 -12.429
   88   2HD1  ILE  33          2HD1      ILE  33  28.810  13.313 -11.791
   89   3HD1  ILE  33          3HD1      ILE  33  28.789  13.015 -13.529
   90    H    HIS  34           H        HIS  34  24.014  13.246 -10.462
   91    HA   HIS  34           HA       HIS  34  24.492  10.717  -9.077
   92   1HB   HIS  34          1HB       HIS  34  22.959  13.132  -8.076
   93   2HB   HIS  34          2HB       HIS  34  23.709  11.866  -7.104
   94    HD1  HIS  34           HD1      HIS  34  26.427  11.698  -7.401
   95    HD2  HIS  34           HD2      HIS  34  24.643  15.270  -8.598
   96    HE1  HIS  34           HE1      HIS  34  28.284  13.414  -7.543
   97    H    SER  35           H        SER  35  23.116   9.110  -9.826
   98    HA   SER  35           HA       SER  35  20.358   9.190  -8.971
   99   1HB   SER  35          1HB       SER  35  20.969   9.504 -11.919
  100   2HB   SER  35          2HB       SER  35  19.422   8.896 -11.327
  101    HG   SER  35           HG       SER  35  20.529  11.301 -10.364
  102    H    GLY  36           H        GLY  36  20.144   7.117  -8.294
  103   1HA   GLY  36          1HA       GLY  36  20.058   4.828  -9.810
  104   2HA   GLY  36          2HA       GLY  36  21.776   4.981  -9.445
  105    H    ARG  37           H        ARG  37  19.801   6.328  -7.027
  106    HA   ARG  37           HA       ARG  37  19.220   3.935  -5.517
  107   1HB   ARG  37          1HB       ARG  37  21.732   4.014  -5.356
  108   2HB   ARG  37          2HB       ARG  37  21.579   5.573  -4.545
  109   1HG   ARG  37          1HG       ARG  37  20.162   4.494  -2.804
  110   2HG   ARG  37          2HG       ARG  37  20.411   2.938  -3.596
  111   1HD   ARG  37          1HD       ARG  37  21.974   3.347  -1.669
  112   2HD   ARG  37          2HD       ARG  37  22.802   3.057  -3.199
  113    HE   ARG  37           HE       ARG  37  22.356   5.884  -2.763
  114   1HH1  ARG  37          1HH1      ARG  37  24.279   3.147  -1.926
  115   2HH1  ARG  37          2HH1      ARG  37  25.685   4.084  -1.544
  116   1HH2  ARG  37          1HH2      ARG  37  24.181   7.124  -2.269
  117   2HH2  ARG  37          2HH2      ARG  37  25.629   6.336  -1.738
  118    H    ILE  38           H        ILE  38  17.991   4.441  -3.657
  119    HA   ILE  38           HA       ILE  38  17.725   7.312  -2.901
  120    HB   ILE  38           HB       ILE  38  15.365   5.549  -3.661
  121   1HG1  ILE  38          1HG1      ILE  38  16.729   7.864  -5.055
  122   2HG1  ILE  38          2HG1      ILE  38  16.553   6.216  -5.654
  123   1HG2  ILE  38          1HG2      ILE  38  15.384   8.518  -3.037
  124   2HG2  ILE  38          2HG2      ILE  38  15.023   7.298  -1.816
  125   3HG2  ILE  38          3HG2      ILE  38  13.985   7.464  -3.227
  126   1HD1  ILE  38          1HD1      ILE  38  14.010   6.610  -5.478
  127   2HD1  ILE  38          2HD1      ILE  38  14.861   7.435  -6.784
  128   3HD1  ILE  38          3HD1      ILE  38  14.412   8.321  -5.327
  129    H    ALA  39           H        ALA  39  18.533   6.909  -0.862
  130    HA   ALA  39           HA       ALA  39  17.354   4.720   0.768
  131   1HB   ALA  39          1HB       ALA  39  19.684   6.606   1.155
  132   2HB   ALA  39          2HB       ALA  39  19.716   4.850   0.998
  133   3HB   ALA  39          3HB       ALA  39  19.077   5.593   2.465
  134    H    ALA  40           H        ALA  40  15.259   5.552   1.162
  135    HA   ALA  40           HA       ALA  40  15.165   7.752   3.165
  136   1HB   ALA  40          1HB       ALA  40  13.614   9.051   1.983
  137   2HB   ALA  40          2HB       ALA  40  13.126   7.712   0.945
  138   3HB   ALA  40          3HB       ALA  40  14.679   8.503   0.691
  139    H    VAL  41           H        VAL  41  12.556   7.884   3.704
  140    HA   VAL  41           HA       VAL  41  11.991   5.309   4.933
  141    HB   VAL  41           HB       VAL  41  10.206   7.750   4.708
  142   1HG1  VAL  41          1HG1      VAL  41  10.158   5.321   6.515
  143   2HG1  VAL  41          2HG1      VAL  41   8.934   5.793   5.335
  144   3HG1  VAL  41          3HG1      VAL  41   9.183   6.764   6.785
  145   1HG2  VAL  41          1HG2      VAL  41  11.051   8.027   7.160
  146   2HG2  VAL  41          2HG2      VAL  41  12.117   8.535   5.855
  147   3HG2  VAL  41          3HG2      VAL  41  12.383   6.987   6.654
  148    H    HIS  42           H        HIS  42  10.450   3.801   4.288
  149    HA   HIS  42           HA       HIS  42   8.761   4.386   1.904
  150   1HB   HIS  42          1HB       HIS  42  10.978   2.367   2.099
  151   2HB   HIS  42          2HB       HIS  42   9.572   1.983   1.111
  152    HD1  HIS  42           HD1      HIS  42   9.676   2.780  -1.229
  153    HD2  HIS  42           HD2      HIS  42  12.151   5.028   1.253
  154    HE1  HIS  42           HE1      HIS  42  10.927   4.386  -2.730
  155    H    ASN  43           H        ASN  43   6.898   3.075   1.806
  156    HA   ASN  43           HA       ASN  43   6.178   1.720   4.321
  157   1HB   ASN  43          1HB       ASN  43   4.666   2.240   1.744
  158   2HB   ASN  43          2HB       ASN  43   3.977   1.394   3.129
  159   1HD2  ASN  43          1HD2      ASN  43   2.704   3.738   2.432
  160   2HD2  ASN  43          2HD2      ASN  43   3.082   4.973   3.529
  161    H    VAL  44           H        VAL  44   7.488  -0.162   4.311
  162    HA   VAL  44           HA       VAL  44   7.431  -1.923   1.961
  163    HB   VAL  44           HB       VAL  44   9.486  -1.508   3.434
  164   1HG1  VAL  44          1HG1      VAL  44   8.178  -1.917   5.586
  165   2HG1  VAL  44          2HG1      VAL  44   9.728  -2.740   5.452
  166   3HG1  VAL  44          3HG1      VAL  44   8.232  -3.631   5.178
  167   1HG2  VAL  44          1HG2      VAL  44   9.401  -3.288   1.749
  168   2HG2  VAL  44          2HG2      VAL  44   8.591  -4.352   2.900
  169   3HG2  VAL  44          3HG2      VAL  44  10.254  -3.847   3.187
  170    HA   PRO  45           HA       PRO  45   3.617  -3.895   3.423
  171   1HB   PRO  45          1HB       PRO  45   4.773  -6.271   2.013
  172   2HB   PRO  45          2HB       PRO  45   3.145  -5.582   1.905
  173   1HG   PRO  45          1HG       PRO  45   4.994  -5.201  -0.010
  174   2HG   PRO  45          2HG       PRO  45   3.798  -3.972   0.403
  175   1HD   PRO  45          1HD       PRO  45   6.715  -4.010   0.982
  176   2HD   PRO  45          2HD       PRO  45   5.616  -2.629   0.819
  177    H    LEU  46           H        LEU  46   3.068  -5.176   5.178
  178    HA   LEU  46           HA       LEU  46   5.180  -6.085   6.925
  179   1HB   LEU  46          1HB       LEU  46   2.216  -6.687   6.939
  180   2HB   LEU  46          2HB       LEU  46   3.317  -7.045   8.256
  181    HG   LEU  46           HG       LEU  46   3.233  -4.216   7.257
  182   1HD1  LEU  46          1HD1      LEU  46   1.114  -5.473   9.005
  183   2HD1  LEU  46          2HD1      LEU  46   0.881  -4.784   7.399
  184   3HD1  LEU  46          3HD1      LEU  46   1.316  -3.739   8.753
  185   1HD2  LEU  46          1HD2      LEU  46   4.792  -4.705   9.052
  186   2HD2  LEU  46          2HD2      LEU  46   3.534  -5.522   9.980
  187   3HD2  LEU  46          3HD2      LEU  46   3.456  -3.783   9.730
  188    H    SER  47           H        SER  47   3.159  -7.583   4.499
  189    HA   SER  47           HA       SER  47   3.643 -10.312   5.291
  190   1HB   SER  47          1HB       SER  47   1.749 -10.067   3.957
  191   2HB   SER  47          2HB       SER  47   2.559  -8.979   2.831
  192    HG   SER  47           HG       SER  47   2.718 -11.771   3.051
  193    H    VAL  48           H        VAL  48   5.765  -8.099   3.702
  194    HA   VAL  48           HA       VAL  48   7.347 -10.393   2.588
  195    HB   VAL  48           HB       VAL  48   8.282  -8.903   0.986
  196   1HG1  VAL  48          1HG1      VAL  48   6.089  -9.703   0.362
  197   2HG1  VAL  48          2HG1      VAL  48   6.234  -8.024  -0.156
  198   3HG1  VAL  48          3HG1      VAL  48   5.311  -8.422   1.290
  199   1HG2  VAL  48          1HG2      VAL  48   7.525  -6.464   0.959
  200   2HG2  VAL  48          2HG2      VAL  48   8.680  -6.907   2.215
  201   3HG2  VAL  48          3HG2      VAL  48   6.977  -6.725   2.609
  202    H    LEU  49           H        LEU  49   7.366  -9.280   5.411
  203    HA   LEU  49           HA       LEU  49  10.148  -8.213   5.551
  204   1HB   LEU  49          1HB       LEU  49   7.934  -8.499   7.603
  205   2HB   LEU  49          2HB       LEU  49   9.570  -8.009   8.023
  206    HG   LEU  49           HG       LEU  49   7.797  -6.562   6.031
  207   1HD1  LEU  49          1HD1      LEU  49   7.081  -6.514   8.482
  208   2HD1  LEU  49          2HD1      LEU  49   7.397  -4.940   7.750
  209   3HD1  LEU  49          3HD1      LEU  49   8.596  -5.674   8.813
  210   1HD2  LEU  49          1HD2      LEU  49   9.653  -4.744   6.674
  211   2HD2  LEU  49          2HD2      LEU  49   9.936  -5.915   5.392
  212   3HD2  LEU  49          3HD2      LEU  49  10.618  -6.184   6.996
  213    H    ILE  50           H        ILE  50  11.765  -9.633   5.920
  214    HA   ILE  50           HA       ILE  50  11.131 -12.405   6.702
  215    HB   ILE  50           HB       ILE  50  13.824 -11.158   6.142
  216   1HG1  ILE  50          1HG1      ILE  50  11.798 -12.418   4.279
  217   2HG1  ILE  50          2HG1      ILE  50  12.385 -10.763   4.226
  218   1HG2  ILE  50          1HG2      ILE  50  14.567 -13.397   5.766
  219   2HG2  ILE  50          2HG2      ILE  50  12.918 -14.022   5.816
  220   3HG2  ILE  50          3HG2      ILE  50  13.680 -13.424   7.288
  221   1HD1  ILE  50          1HD1      ILE  50  13.897 -13.296   3.585
  222   2HD1  ILE  50          2HD1      ILE  50  14.729 -11.779   3.929
  223   3HD1  ILE  50          3HD1      ILE  50  13.632 -11.890   2.554
  224    H    ARG  51           H        ARG  51  11.074 -12.945   8.795
  225    HA   ARG  51           HA       ARG  51  12.992 -11.670  10.711
  226   1HB   ARG  51          1HB       ARG  51  10.038 -12.202  11.128
  227   2HB   ARG  51          2HB       ARG  51  11.159 -11.743  12.411
  228   1HG   ARG  51          1HG       ARG  51  11.660  -9.656  11.295
  229   2HG   ARG  51          2HG       ARG  51  10.693 -10.111   9.898
  230   1HD   ARG  51          1HD       ARG  51   9.250  -8.709  11.121
  231   2HD   ARG  51          2HD       ARG  51   8.735 -10.321  11.605
  232    HE   ARG  51           HE       ARG  51  10.209  -8.379  13.284
  233   1HH1  ARG  51          1HH1      ARG  51   8.997 -11.585  12.799
  234   2HH1  ARG  51          2HH1      ARG  51   9.058 -11.995  14.479
  235   1HH2  ARG  51          1HH2      ARG  51  10.292  -8.914  15.470
  236   2HH2  ARG  51          2HH2      ARG  51   9.790 -10.489  15.987
  237    HA   PRO  52           HA       PRO  52  13.098 -16.207  11.437
  238   1HB   PRO  52          1HB       PRO  52  15.656 -16.684  10.912
  239   2HB   PRO  52          2HB       PRO  52  14.552 -16.271   9.584
  240   1HG   PRO  52          1HG       PRO  52  16.594 -14.569  10.955
  241   2HG   PRO  52          2HG       PRO  52  16.132 -14.614   9.249
  242   1HD   PRO  52          1HD       PRO  52  15.153 -12.789  11.235
  243   2HD   PRO  52          2HD       PRO  52  14.538 -12.980   9.578
  244    H    LEU  53           H        LEU  53  13.473 -13.895  13.431
  245    HA   LEU  53           HA       LEU  53  15.102 -15.426  15.409
  246   1HB   LEU  53          1HB       LEU  53  16.314 -13.452  14.140
  247   2HB   LEU  53          2HB       LEU  53  15.397 -12.430  15.237
  248    HG   LEU  53           HG       LEU  53  17.165 -14.723  16.155
  249   1HD1  LEU  53          1HD1      LEU  53  18.565 -13.065  15.074
  250   2HD1  LEU  53          2HD1      LEU  53  18.738 -12.885  16.822
  251   3HD1  LEU  53          3HD1      LEU  53  17.730 -11.755  15.916
  252   1HD2  LEU  53          1HD2      LEU  53  15.543 -14.201  17.831
  253   2HD2  LEU  53          2HD2      LEU  53  15.701 -12.468  17.548
  254   3HD2  LEU  53          3HD2      LEU  53  17.014 -13.359  18.317
  255    HA   PRO  54           HA       PRO  54  10.917 -14.295  17.134
  256   1HB   PRO  54          1HB       PRO  54  12.024 -16.290  19.094
  257   2HB   PRO  54          2HB       PRO  54  10.375 -16.139  18.455
  258   1HG   PRO  54          1HG       PRO  54  12.014 -18.012  17.533
  259   2HG   PRO  54          2HG       PRO  54  10.940 -17.132  16.432
  260   1HD   PRO  54          1HD       PRO  54  13.901 -16.832  16.832
  261   2HD   PRO  54          2HD       PRO  54  12.945 -16.654  15.345
  262    H    SER  55           H        SER  55  10.398 -13.483  19.429
  263    HA   SER  55           HA       SER  55  12.696 -12.624  21.046
  264   1HB   SER  55          1HB       SER  55  11.140 -10.737  19.301
  265   2HB   SER  55          2HB       SER  55  11.800 -10.159  20.826
  266    HG   SER  55           HG       SER  55  13.686 -10.125  19.941
  267    H    VAL  56           H        VAL  56  11.938 -11.374  22.970
  268    HA   VAL  56           HA       VAL  56   9.291 -12.395  23.869
  269    HB   VAL  56           HB       VAL  56  11.516 -12.668  25.215
  270   1HG1  VAL  56          1HG1      VAL  56  10.776  -9.915  26.222
  271   2HG1  VAL  56          2HG1      VAL  56  12.030 -10.150  25.006
  272   3HG1  VAL  56          3HG1      VAL  56  12.207 -10.869  26.603
  273   1HG2  VAL  56          1HG2      VAL  56   9.282 -13.224  26.087
  274   2HG2  VAL  56          2HG2      VAL  56   9.029 -11.536  26.530
  275   3HG2  VAL  56          3HG2      VAL  56  10.276 -12.483  27.342
  276    H    LEU  57           H        LEU  57   7.616 -11.019  23.624
  277    HA   LEU  57           HA       LEU  57   8.138  -8.109  23.393
  278   1HB   LEU  57          1HB       LEU  57   5.606  -9.674  22.926
  279   2HB   LEU  57          2HB       LEU  57   5.841  -7.972  22.567
  280    HG   LEU  57           HG       LEU  57   7.497 -10.211  21.353
  281   1HD1  LEU  57          1HD1      LEU  57   6.165  -9.552  19.265
  282   2HD1  LEU  57          2HD1      LEU  57   5.062  -8.711  20.355
  283   3HD1  LEU  57          3HD1      LEU  57   5.277 -10.457  20.492
  284   1HD2  LEU  57          1HD2      LEU  57   7.889  -8.199  19.683
  285   2HD2  LEU  57          2HD2      LEU  57   8.822  -8.302  21.171
  286   3HD2  LEU  57          3HD2      LEU  57   7.439  -7.214  21.075
  287    H    ASP  58           H        ASP  58   7.188  -6.608  24.658
  288    HA   ASP  58           HA       ASP  58   6.181  -7.506  27.298
  289   1HB   ASP  58          1HB       ASP  58   7.980  -5.980  27.503
  290   2HB   ASP  58          2HB       ASP  58   7.391  -4.969  26.211
  291    HA   PRO  59           HA       PRO  59   2.140  -6.251  25.726
  292   1HB   PRO  59          1HB       PRO  59   0.644  -6.515  27.972
  293   2HB   PRO  59          2HB       PRO  59   1.319  -7.920  27.123
  294   1HG   PRO  59          1HG       PRO  59   2.352  -6.509  29.556
  295   2HG   PRO  59          2HG       PRO  59   2.176  -8.243  29.262
  296   1HD   PRO  59          1HD       PRO  59   4.569  -6.919  28.962
  297   2HD   PRO  59          2HD       PRO  59   4.142  -8.365  28.021
  298    H    ALA  60           H        ALA  60   3.803  -4.501  28.221
  299    HA   ALA  60           HA       ALA  60   1.764  -2.376  28.367
  300   1HB   ALA  60          1HB       ALA  60   4.557  -2.233  29.503
  301   2HB   ALA  60          2HB       ALA  60   3.292  -3.175  30.292
  302   3HB   ALA  60          3HB       ALA  60   3.092  -1.436  30.077
  303    H    LYS  61           H        LYS  61   5.073  -2.767  27.102
  304    HA   LYS  61           HA       LYS  61   5.242  -0.095  26.091
  305   1HB   LYS  61          1HB       LYS  61   7.015  -2.223  26.417
  306   2HB   LYS  61          2HB       LYS  61   6.861  -2.137  24.672
  307   1HG   LYS  61          1HG       LYS  61   7.420   0.332  26.314
  308   2HG   LYS  61          2HG       LYS  61   8.718  -0.736  25.810
  309   1HD   LYS  61          1HD       LYS  61   6.789   0.125  23.674
  310   2HD   LYS  61          2HD       LYS  61   7.897   1.348  24.285
  311   1HE   LYS  61          1HE       LYS  61   8.890   0.216  22.358
  312   2HE   LYS  61          2HE       LYS  61   9.805  -0.178  23.812
  313   1HZ   LYS  61          1HZ       LYS  61   7.620  -1.888  22.776
  314   2HZ   LYS  61          2HZ       LYS  61   8.784  -2.279  23.950
  315   3HZ   LYS  61          3HZ       LYS  61   9.241  -2.097  22.324
  316    H    VAL  62           H        VAL  62   3.969  -3.100  24.754
  317    HA   VAL  62           HA       VAL  62   3.815  -2.191  22.022
  318    HB   VAL  62           HB       VAL  62   2.300  -4.312  23.571
  319   1HG1  VAL  62          1HG1      VAL  62   0.772  -3.714  21.856
  320   2HG1  VAL  62          2HG1      VAL  62   1.656  -5.089  21.194
  321   3HG1  VAL  62          3HG1      VAL  62   2.063  -3.449  20.683
  322   1HG2  VAL  62          1HG2      VAL  62   4.359  -4.535  21.354
  323   2HG2  VAL  62          2HG2      VAL  62   3.708  -5.851  22.331
  324   3HG2  VAL  62          3HG2      VAL  62   4.747  -4.634  23.071
  325    H    GLN  63           H        GLN  63   1.313  -2.370  24.590
  326    HA   GLN  63           HA       GLN  63  -0.760  -1.094  23.160
  327   1HB   GLN  63          1HB       GLN  63  -0.047  -1.235  26.087
  328   2HB   GLN  63          2HB       GLN  63  -1.412  -0.255  25.565
  329   1HG   GLN  63          1HG       GLN  63  -2.736  -2.102  25.336
  330   2HG   GLN  63          2HG       GLN  63  -1.557  -2.889  24.293
  331   1HE2  GLN  63          1HE2      GLN  63  -1.104  -4.903  25.131
  332   2HE2  GLN  63          2HE2      GLN  63  -0.843  -5.244  26.772
  333    H    SER  64           H        SER  64   1.949   0.314  24.962
  334    HA   SER  64           HA       SER  64   1.116   3.039  24.790
  335   1HB   SER  64          1HB       SER  64   3.043   2.088  26.171
  336   2HB   SER  64          2HB       SER  64   3.987   2.086  24.681
  337    HG   SER  64           HG       SER  64   4.336   4.102  25.063
  338    H    LEU  65           H        LEU  65   2.902   0.962  22.534
  339    HA   LEU  65           HA       LEU  65   3.420   3.114  20.652
  340   1HB   LEU  65          1HB       LEU  65   3.809   0.154  20.775
  341   2HB   LEU  65          2HB       LEU  65   3.738   0.858  19.169
  342    HG   LEU  65           HG       LEU  65   5.512   2.088  21.283
  343   1HD1  LEU  65          1HD1      LEU  65   6.257  -0.173  21.331
  344   2HD1  LEU  65          2HD1      LEU  65   7.366   0.664  20.244
  345   3HD1  LEU  65          3HD1      LEU  65   6.080  -0.347  19.586
  346   1HD2  LEU  65          1HD2      LEU  65   5.254   3.387  19.260
  347   2HD2  LEU  65          2HD2      LEU  65   5.543   1.972  18.250
  348   3HD2  LEU  65          3HD2      LEU  65   6.853   2.649  19.214
  349    H    VAL  66           H        VAL  66   1.118   0.387  20.774
  350    HA   VAL  66           HA       VAL  66  -0.264   0.895  18.372
  351    HB   VAL  66           HB       VAL  66  -1.102  -0.241  21.043
  352   1HG1  VAL  66          1HG1      VAL  66  -3.162   0.626  20.242
  353   2HG1  VAL  66          2HG1      VAL  66  -3.159  -1.073  19.771
  354   3HG1  VAL  66          3HG1      VAL  66  -2.791   0.173  18.581
  355   1HG2  VAL  66          1HG2      VAL  66  -1.210  -2.338  19.677
  356   2HG2  VAL  66          2HG2      VAL  66   0.399  -1.616  19.719
  357   3HG2  VAL  66          3HG2      VAL  66  -0.622  -1.416  18.294
  358    H    ASP  67           H        ASP  67  -0.338   2.541  21.452
  359    HA   ASP  67           HA       ASP  67  -2.762   4.068  20.922
  360   1HB   ASP  67          1HB       ASP  67  -1.637   3.565  23.210
  361   2HB   ASP  67          2HB       ASP  67  -0.568   4.908  22.827
  362    H    THR  68           H        THR  68   0.729   4.696  20.638
  363    HA   THR  68           HA       THR  68   0.502   7.440  19.859
  364    HB   THR  68           HB       THR  68   2.660   5.553  18.893
  365    HG1  THR  68           HG1      THR  68   2.006   5.553  21.274
  366   1HG2  THR  68          1HG2      THR  68   2.524   7.993  18.159
  367   2HG2  THR  68          2HG2      THR  68   4.038   7.499  18.919
  368   3HG2  THR  68          3HG2      THR  68   2.846   8.415  19.841
  369    H    ILE  69           H        ILE  69   0.837   4.478  17.901
  370    HA   ILE  69           HA       ILE  69   0.675   5.711  15.355
  371    HB   ILE  69           HB       ILE  69  -0.378   2.978  16.153
  372   1HG1  ILE  69          1HG1      ILE  69   2.393   3.956  15.399
  373   2HG1  ILE  69          2HG1      ILE  69   1.915   3.176  16.900
  374   1HG2  ILE  69          1HG2      ILE  69  -1.006   3.871  13.857
  375   2HG2  ILE  69          2HG2      ILE  69  -0.049   2.397  13.821
  376   3HG2  ILE  69          3HG2      ILE  69   0.715   3.950  13.491
  377   1HD1  ILE  69          1HD1      ILE  69   3.010   1.504  15.577
  378   2HD1  ILE  69          2HD1      ILE  69   2.057   1.918  14.153
  379   3HD1  ILE  69          3HD1      ILE  69   1.286   1.140  15.534
  380    H    ARG  70           H        ARG  70  -1.883   4.563  17.538
  381    HA   ARG  70           HA       ARG  70  -4.026   5.228  15.689
  382   1HB   ARG  70          1HB       ARG  70  -3.799   4.215  18.490
  383   2HB   ARG  70          2HB       ARG  70  -5.306   5.011  18.076
  384   1HG   ARG  70          1HG       ARG  70  -5.708   3.469  16.271
  385   2HG   ARG  70          2HG       ARG  70  -4.087   2.793  16.415
  386   1HD   ARG  70          1HD       ARG  70  -4.599   1.827  18.562
  387   2HD   ARG  70          2HD       ARG  70  -6.130   2.698  18.651
  388    HE   ARG  70           HE       ARG  70  -6.141   1.070  16.306
  389   1HH1  ARG  70          1HH1      ARG  70  -6.165   0.905  19.749
  390   2HH1  ARG  70          2HH1      ARG  70  -7.046  -0.585  19.805
  391   1HH2  ARG  70          1HH2      ARG  70  -7.292  -0.875  16.358
  392   2HH2  ARG  70          2HH2      ARG  70  -7.684  -1.593  17.885
  393    H    GLU  71           H        GLU  71  -2.401   6.935  18.333
  394    HA   GLU  71           HA       GLU  71  -4.397   9.087  18.343
  395   1HB   GLU  71          1HB       GLU  71  -3.117   8.421  20.392
  396   2HB   GLU  71          2HB       GLU  71  -1.647   9.016  19.622
  397   1HG   GLU  71          1HG       GLU  71  -2.531  11.260  19.513
  398   2HG   GLU  71          2HG       GLU  71  -4.121  10.712  20.046
  399    H    ASP  72           H        ASP  72  -1.163   8.520  17.048
  400    HA   ASP  72           HA       ASP  72  -1.546  10.697  15.119
  401   1HB   ASP  72          1HB       ASP  72  -0.635  11.740  17.250
  402   2HB   ASP  72          2HB       ASP  72   0.835  10.810  16.968
  403    HA   PRO  73           HA       PRO  73   0.955   7.149  13.540
  404   1HB   PRO  73          1HB       PRO  73   0.160   7.283  10.925
  405   2HB   PRO  73          2HB       PRO  73  -0.794   6.487  12.191
  406   1HG   PRO  73          1HG       PRO  73  -1.118   9.211  11.004
  407   2HG   PRO  73          2HG       PRO  73  -2.353   8.011  11.417
  408   1HD   PRO  73          1HD       PRO  73  -1.780  10.161  13.004
  409   2HD   PRO  73          2HD       PRO  73  -2.380   8.624  13.660
  410    H    ASP  74           H        ASP  74   0.987  10.498  12.571
  411    HA   ASP  74           HA       ASP  74   3.400  10.127  10.886
  412   1HB   ASP  74          1HB       ASP  74   1.764  12.584  11.574
  413   2HB   ASP  74          2HB       ASP  74   3.167  12.584  10.506
  414    H    SER  75           H        SER  75   2.886  10.286  14.124
  415    HA   SER  75           HA       SER  75   5.255  12.043  14.674
  416   1HB   SER  75          1HB       SER  75   3.131  10.964  16.549
  417   2HB   SER  75          2HB       SER  75   4.450  12.043  17.002
  418    HG   SER  75           HG       SER  75   3.095  12.967  14.852
  419    H    VAL  76           H        VAL  76   4.964   8.976  13.864
  420    HA   VAL  76           HA       VAL  76   6.667   7.913  16.081
  421    HB   VAL  76           HB       VAL  76   5.240   6.240  14.009
  422   1HG1  VAL  76          1HG1      VAL  76   6.293   5.722  16.812
  423   2HG1  VAL  76          2HG1      VAL  76   6.883   5.025  15.302
  424   3HG1  VAL  76          3HG1      VAL  76   5.290   4.583  15.916
  425   1HG2  VAL  76          1HG2      VAL  76   4.171   7.427  16.575
  426   2HG2  VAL  76          2HG2      VAL  76   3.469   5.985  15.842
  427   3HG2  VAL  76          3HG2      VAL  76   3.465   7.512  14.961
  428    HA   PRO  77           HA       PRO  77   9.815   7.991  12.884
  429   1HB   PRO  77          1HB       PRO  77  11.875   6.795  14.186
  430   2HB   PRO  77          2HB       PRO  77  11.291   8.412  14.614
  431   1HG   PRO  77          1HG       PRO  77  10.736   5.774  15.917
  432   2HG   PRO  77          2HG       PRO  77  11.083   7.341  16.665
  433   1HD   PRO  77          1HD       PRO  77   8.525   6.293  16.361
  434   2HD   PRO  77          2HD       PRO  77   8.877   8.023  16.518
  435    HA   PRO  78           HA       PRO  78   9.854   3.941  10.962
  436   1HB   PRO  78          1HB       PRO  78  11.928   4.160   9.248
  437   2HB   PRO  78          2HB       PRO  78  10.470   5.146   9.062
  438   1HG   PRO  78          1HG       PRO  78  13.123   5.881  10.234
  439   2HG   PRO  78          2HG       PRO  78  12.079   6.819   9.155
  440   1HD   PRO  78          1HD       PRO  78  12.191   7.167  11.912
  441   2HD   PRO  78          2HD       PRO  78  10.802   7.623  10.911
  442    H    ILE  79           H        ILE  79  11.340   2.034  10.523
  443    HA   ILE  79           HA       ILE  79  13.366   1.744  12.722
  444    HB   ILE  79           HB       ILE  79  12.993  -0.757  12.232
  445   1HG1  ILE  79          1HG1      ILE  79  10.335   0.141  11.107
  446   2HG1  ILE  79          2HG1      ILE  79  11.717  -0.056  10.030
  447   1HG2  ILE  79          1HG2      ILE  79  10.744  -0.688  13.499
  448   2HG2  ILE  79          2HG2      ILE  79  10.920   1.066  13.452
  449   3HG2  ILE  79          3HG2      ILE  79  12.134   0.079  14.265
  450   1HD1  ILE  79          1HD1      ILE  79  10.596  -2.174  11.884
  451   2HD1  ILE  79          2HD1      ILE  79  12.009  -2.373  10.847
  452   3HD1  ILE  79          3HD1      ILE  79  10.416  -2.130  10.130
  453    H    ASP  80           H        ASP  80  15.247   0.340  12.117
  454    HA   ASP  80           HA       ASP  80  16.201   1.073   9.406
  455   1HB   ASP  80          1HB       ASP  80  17.590   1.241  11.596
  456   2HB   ASP  80          2HB       ASP  80  17.749  -0.510  11.469
  457    H    VAL  81           H        VAL  81  16.319  -0.394   7.768
  458    HA   VAL  81           HA       VAL  81  16.046  -3.306   8.381
  459    HB   VAL  81           HB       VAL  81  14.316  -1.615   6.567
  460   1HG1  VAL  81          1HG1      VAL  81  14.971  -3.425   5.128
  461   2HG1  VAL  81          2HG1      VAL  81  13.375  -3.824   5.760
  462   3HG1  VAL  81          3HG1      VAL  81  14.805  -4.599   6.434
  463   1HG2  VAL  81          1HG2      VAL  81  13.774  -3.708   8.696
  464   2HG2  VAL  81          2HG2      VAL  81  12.527  -2.903   7.741
  465   3HG2  VAL  81          3HG2      VAL  81  13.528  -1.968   8.851
  466    H    LEU  82           H        LEU  82  17.280  -4.595   7.076
  467    HA   LEU  82           HA       LEU  82  19.227  -3.246   5.334
  468   1HB   LEU  82          1HB       LEU  82  18.915  -6.185   6.001
  469   2HB   LEU  82          2HB       LEU  82  20.315  -5.441   5.233
  470    HG   LEU  82           HG       LEU  82  19.385  -4.391   7.909
  471   1HD1  LEU  82          1HD1      LEU  82  19.533  -6.858   8.151
  472   2HD1  LEU  82          2HD1      LEU  82  20.782  -6.018   9.069
  473   3HD1  LEU  82          3HD1      LEU  82  21.186  -6.799   7.540
  474   1HD2  LEU  82          1HD2      LEU  82  21.183  -3.247   6.605
  475   2HD2  LEU  82          2HD2      LEU  82  22.134  -4.730   6.675
  476   3HD2  LEU  82          3HD2      LEU  82  21.751  -3.857   8.158
  477    H    TRP  83           H        TRP  83  19.149  -3.207   3.161
  478    HA   TRP  83           HA       TRP  83  17.007  -4.766   1.758
  479   1HB   TRP  83          1HB       TRP  83  16.813  -2.325   1.619
  480   2HB   TRP  83          2HB       TRP  83  18.469  -2.205   1.071
  481    HD1  TRP  83           HD1      TRP  83  16.621  -5.064  -0.544
  482    HE1  TRP  83           HE1      TRP  83  16.027  -4.404  -2.973
  483    HE3  TRP  83           HE3      TRP  83  17.724  -0.089  -0.393
  484    HZ2  TRP  83           HZ2      TRP  83  16.030  -2.064  -4.624
  485    HZ3  TRP  83           HZ3      TRP  83  17.428   1.332  -2.410
  486    HH2  TRP  83           HH2      TRP  83  16.595   0.341  -4.521
  487    H    ILE  84           H        ILE  84  18.040  -6.639   1.054
  488    HA   ILE  84           HA       ILE  84  20.645  -6.318  -0.417
  489    HB   ILE  84           HB       ILE  84  19.698  -8.751   1.131
  490   1HG1  ILE  84          1HG1      ILE  84  21.772  -6.662   1.852
  491   2HG1  ILE  84          2HG1      ILE  84  20.193  -6.818   2.616
  492   1HG2  ILE  84          1HG2      ILE  84  21.279  -9.136  -0.791
  493   2HG2  ILE  84          2HG2      ILE  84  21.971  -9.553   0.774
  494   3HG2  ILE  84          3HG2      ILE  84  22.418  -8.039  -0.010
  495   1HD1  ILE  84          1HD1      ILE  84  22.460  -8.822   2.656
  496   2HD1  ILE  84          2HD1      ILE  84  20.825  -9.201   3.198
  497   3HD1  ILE  84          3HD1      ILE  84  21.764  -7.961   4.028
  498    H    LYS  85           H        LYS  85  20.879  -7.491  -2.332
  499    HA   LYS  85           HA       LYS  85  18.340  -8.591  -3.488
  500   1HB   LYS  85          1HB       LYS  85  20.676  -7.080  -4.634
  501   2HB   LYS  85          2HB       LYS  85  19.794  -8.187  -5.684
  502   1HG   LYS  85          1HG       LYS  85  17.711  -7.037  -5.205
  503   2HG   LYS  85          2HG       LYS  85  18.535  -5.986  -4.056
  504   1HD   LYS  85          1HD       LYS  85  19.714  -4.837  -5.735
  505   2HD   LYS  85          2HD       LYS  85  19.456  -6.122  -6.914
  506   1HE   LYS  85          1HE       LYS  85  17.987  -4.367  -7.558
  507   2HE   LYS  85          2HE       LYS  85  16.956  -5.546  -6.761
  508   1HZ   LYS  85          1HZ       LYS  85  17.984  -3.844  -4.810
  509   2HZ   LYS  85          2HZ       LYS  85  16.374  -3.986  -5.336
  510   3HZ   LYS  85          3HZ       LYS  85  17.418  -2.868  -6.077
  511    H    GLY  86           H        GLY  86  18.534 -10.462  -4.860
  512   1HA   GLY  86          1HA       GLY  86  20.605 -12.341  -3.863
  513   2HA   GLY  86          2HA       GLY  86  19.119 -12.792  -4.692
  514    H    ALA  87           H        ALA  87  20.893 -14.130  -5.808
  515    HA   ALA  87           HA       ALA  87  22.705 -12.869  -7.642
  516   1HB   ALA  87          1HB       ALA  87  22.623 -15.224  -8.732
  517   2HB   ALA  87          2HB       ALA  87  21.568 -15.653  -7.384
  518   3HB   ALA  87          3HB       ALA  87  23.214 -15.103  -7.075
  519    H    GLN  88           H        GLN  88  19.323 -13.037  -7.749
  520    HA   GLN  88           HA       GLN  88  19.356 -12.586 -10.720
  521   1HB   GLN  88          1HB       GLN  88  17.125 -13.954  -9.201
  522   2HB   GLN  88          2HB       GLN  88  17.312 -13.816 -10.951
  523   1HG   GLN  88          1HG       GLN  88  19.524 -15.067 -10.673
  524   2HG   GLN  88          2HG       GLN  88  19.006 -15.421  -9.025
  525   1HE2  GLN  88          1HE2      GLN  88  19.203 -17.739 -10.143
  526   2HE2  GLN  88          2HE2      GLN  88  17.767 -18.330 -10.823
  527    H    GLY  89           H        GLY  89  19.434 -10.610  -8.537
  528   1HA   GLY  89          1HA       GLY  89  18.491  -8.473  -8.279
  529   2HA   GLY  89          2HA       GLY  89  17.341  -8.878  -9.541
  530    H    GLY  90           H        GLY  90  16.771 -11.375  -7.669
  531   1HA   GLY  90          1HA       GLY  90  14.323 -10.557  -6.642
  532   2HA   GLY  90          2HA       GLY  90  15.258 -11.875  -5.947
  533    H    ASP  91           H        ASP  91  14.109  -8.735  -5.463
  534    HA   ASP  91           HA       ASP  91  16.090  -7.885  -3.516
  535   1HB   ASP  91          1HB       ASP  91  13.377  -6.880  -4.372
  536   2HB   ASP  91          2HB       ASP  91  14.140  -6.233  -2.929
  537    H    TYR  92           H        TYR  92  16.088  -8.262  -1.366
  538    HA   TYR  92           HA       TYR  92  13.713  -9.618  -0.130
  539   1HB   TYR  92          1HB       TYR  92  16.651 -10.272   0.284
  540   2HB   TYR  92          2HB       TYR  92  15.312 -10.988   1.185
  541    HD1  TYR  92           HD1      TYR  92  13.685 -12.477   0.056
  542    HD2  TYR  92           HD2      TYR  92  17.091 -10.896  -2.035
  543    HE1  TYR  92           HE1      TYR  92  13.348 -14.135  -1.753
  544    HE2  TYR  92           HE2      TYR  92  16.751 -12.551  -3.837
  545    HH   TYR  92           HH       TYR  92  15.570 -14.997  -3.891
  546    H    PHE  93           H        PHE  93  13.355  -9.026   2.073
  547    HA   PHE  93           HA       PHE  93  14.964  -6.668   3.020
  548   1HB   PHE  93          1HB       PHE  93  12.011  -7.187   3.447
  549   2HB   PHE  93          2HB       PHE  93  12.906  -5.758   3.935
  550    HD1  PHE  93           HD1      PHE  93  13.965  -4.279   2.172
  551    HD2  PHE  93           HD2      PHE  93  11.206  -7.431   1.211
  552    HE1  PHE  93           HE1      PHE  93  13.603  -3.285  -0.071
  553    HE2  PHE  93           HE2      PHE  93  10.846  -6.434  -1.030
  554    HZ   PHE  93           HZ       PHE  93  12.045  -4.362  -1.671
  555    H    TYR  94           H        TYR  94  16.055  -7.136   4.790
  556    HA   TYR  94           HA       TYR  94  15.054  -9.250   6.660
  557   1HB   TYR  94          1HB       TYR  94  17.727  -8.353   5.687
  558   2HB   TYR  94          2HB       TYR  94  17.655  -8.756   7.396
  559    HD1  TYR  94           HD1      TYR  94  17.386 -10.037   3.975
  560    HD2  TYR  94           HD2      TYR  94  17.089 -11.013   8.146
  561    HE1  TYR  94           HE1      TYR  94  17.462 -12.447   3.414
  562    HE2  TYR  94           HE2      TYR  94  17.165 -13.425   7.577
  563    HH   TYR  94           HH       TYR  94  17.323 -14.935   5.967
  564    H    SER  95           H        SER  95  14.515  -8.621   8.716
  565    HA   SER  95           HA       SER  95  15.269  -5.849   9.604
  566   1HB   SER  95          1HB       SER  95  12.749  -6.465   8.961
  567   2HB   SER  95          2HB       SER  95  12.743  -7.115  10.596
  568    HG   SER  95           HG       SER  95  12.627  -5.167  11.295
  569    H    PHE  96           H        PHE  96  16.179  -5.742  11.595
  570    HA   PHE  96           HA       PHE  96  15.995  -8.098  13.434
  571   1HB   PHE  96          1HB       PHE  96  18.472  -6.595  12.545
  572   2HB   PHE  96          2HB       PHE  96  18.420  -7.590  13.999
  573    HD1  PHE  96           HD1      PHE  96  18.992  -7.603  10.495
  574    HD2  PHE  96           HD2      PHE  96  17.514 -10.027  13.696
  575    HE1  PHE  96           HE1      PHE  96  19.435  -9.629   9.153
  576    HE2  PHE  96           HE2      PHE  96  17.940 -12.068  12.353
  577    HZ   PHE  96           HZ       PHE  96  18.905 -11.868  10.077
  578    H    GLY  97           H        GLY  97  14.486  -6.764  14.621
  579   1HA   GLY  97          1HA       GLY  97  14.922  -5.517  16.865
  580   2HA   GLY  97          2HA       GLY  97  15.577  -4.252  15.825
  581    H    GLY  98           H        GLY  98  13.786  -2.940  16.825
  582   1HA   GLY  98          1HA       GLY  98  11.607  -2.035  16.787
  583   2HA   GLY  98          2HA       GLY  98  11.706  -2.398  15.067
  584    H    CYS  99           H        CYS  99  11.994  -5.184  17.027
  585    HA   CYS  99           HA       CYS  99   9.795  -6.531  15.957
  586   1HB   CYS  99          1HB       CYS  99  10.698  -6.942  18.812
  587   2HB   CYS  99          2HB       CYS  99  10.096  -8.144  17.671
  588    HG   CYS  99           HG       CYS  99  12.974  -7.304  17.921
  589    H    HIS 100           H        HIS 100   9.905  -4.715  19.036
  590    HA   HIS 100           HA       HIS 100   7.196  -5.119  19.764
  591   1HB   HIS 100          1HB       HIS 100   9.196  -2.936  20.341
  592   2HB   HIS 100          2HB       HIS 100   7.537  -2.792  20.918
  593    HD1  HIS 100           HD1      HIS 100  10.419  -5.291  21.051
  594    HD2  HIS 100           HD2      HIS 100   7.076  -4.182  23.289
  595    HE1  HIS 100           HE1      HIS 100  10.497  -6.658  23.183
  596    H    ARG 101           H        ARG 101   8.646  -2.625  17.667
  597    HA   ARG 101           HA       ARG 101   6.166  -1.221  17.267
  598   1HB   ARG 101          1HB       ARG 101   8.751  -1.301  15.688
  599   2HB   ARG 101          2HB       ARG 101   7.366  -0.340  15.173
  600   1HG   ARG 101          1HG       ARG 101   7.366   0.768  17.418
  601   2HG   ARG 101          2HG       ARG 101   8.823  -0.134  17.824
  602   1HD   ARG 101          1HD       ARG 101   8.752   1.540  15.320
  603   2HD   ARG 101          2HD       ARG 101   9.043   2.304  16.881
  604    HE   ARG 101           HE       ARG 101  10.746  -0.025  16.341
  605   1HH1  ARG 101          1HH1      ARG 101  10.263   3.383  16.106
  606   2HH1  ARG 101          2HH1      ARG 101  11.953   3.750  16.022
  607   1HH2  ARG 101          1HH2      ARG 101  12.957   0.439  16.236
  608   2HH2  ARG 101          2HH2      ARG 101  13.477   2.085  16.095
  609    H    TYR 102           H        TYR 102   7.588  -4.068  15.763
  610    HA   TYR 102           HA       TYR 102   5.844  -4.112  13.469
  611   1HB   TYR 102          1HB       TYR 102   7.823  -5.473  13.400
  612   2HB   TYR 102          2HB       TYR 102   7.409  -6.270  14.913
  613    HD1  TYR 102           HD1      TYR 102   6.808  -6.172  11.297
  614    HD2  TYR 102           HD2      TYR 102   5.549  -7.860  15.035
  615    HE1  TYR 102           HE1      TYR 102   5.574  -7.947  10.081
  616    HE2  TYR 102           HE2      TYR 102   4.307  -9.626  13.827
  617    HH   TYR 102           HH       TYR 102   3.701 -10.420  11.846
  618    H    ALA 103           H        ALA 103   5.666  -5.574  16.714
  619    HA   ALA 103           HA       ALA 103   3.226  -6.992  16.380
  620   1HB   ALA 103          1HB       ALA 103   2.995  -6.583  18.911
  621   2HB   ALA 103          2HB       ALA 103   4.519  -5.703  18.790
  622   3HB   ALA 103          3HB       ALA 103   4.456  -7.416  18.374
  623    H    ALA 104           H        ALA 104   3.777  -3.650  17.542
  624    HA   ALA 104           HA       ALA 104   1.052  -3.003  17.961
  625   1HB   ALA 104          1HB       ALA 104   2.670  -1.459  18.783
  626   2HB   ALA 104          2HB       ALA 104   1.849  -0.606  17.475
  627   3HB   ALA 104          3HB       ALA 104   3.441  -1.313  17.203
  628    H    TYR 105           H        TYR 105   3.063  -2.576  15.042
  629    HA   TYR 105           HA       TYR 105   0.949  -1.507  13.427
  630   1HB   TYR 105          1HB       TYR 105   3.687  -2.615  13.006
  631   2HB   TYR 105          2HB       TYR 105   2.621  -2.690  11.612
  632    HD1  TYR 105           HD1      TYR 105   1.687  -0.637  10.617
  633    HD2  TYR 105           HD2      TYR 105   4.494  -0.488  13.861
  634    HE1  TYR 105           HE1      TYR 105   2.097   1.764  10.150
  635    HE2  TYR 105           HE2      TYR 105   4.906   1.912  13.396
  636    HH   TYR 105           HH       TYR 105   2.906   3.764  11.396
  637    H    GLN 106           H        GLN 106   2.027  -4.805  14.141
  638    HA   GLN 106           HA       GLN 106   0.374  -6.083  12.166
  639   1HB   GLN 106          1HB       GLN 106   2.392  -7.085  13.344
  640   2HB   GLN 106          2HB       GLN 106   1.363  -7.280  14.762
  641   1HG   GLN 106          1HG       GLN 106  -0.273  -8.477  13.130
  642   2HG   GLN 106          2HG       GLN 106   1.117  -8.592  12.058
  643   1HE2  GLN 106          1HE2      GLN 106   0.215  -9.393  15.502
  644   2HE2  GLN 106          2HE2      GLN 106   1.220 -10.756  15.571
  645    H    GLN 107           H        GLN 107  -0.077  -5.179  15.560
  646    HA   GLN 107           HA       GLN 107  -2.560  -6.569  15.936
  647   1HB   GLN 107          1HB       GLN 107  -1.294  -5.816  17.859
  648   2HB   GLN 107          2HB       GLN 107  -1.376  -4.141  17.315
  649   1HG   GLN 107          1HG       GLN 107  -3.663  -3.949  17.821
  650   2HG   GLN 107          2HG       GLN 107  -3.912  -5.693  17.805
  651   1HE2  GLN 107          1HE2      GLN 107  -4.752  -5.805  19.982
  652   2HE2  GLN 107          2HE2      GLN 107  -3.781  -5.501  21.341
  653    H    LEU 108           H        LEU 108  -1.724  -3.423  14.601
  654    HA   LEU 108           HA       LEU 108  -4.514  -2.528  14.507
  655   1HB   LEU 108          1HB       LEU 108  -1.972  -1.409  13.300
  656   2HB   LEU 108          2HB       LEU 108  -3.540  -0.608  13.224
  657    HG   LEU 108           HG       LEU 108  -2.185  -1.437  15.811
  658   1HD1  LEU 108          1HD1      LEU 108  -0.958   0.340  14.454
  659   2HD1  LEU 108          2HD1      LEU 108  -1.434   0.814  16.084
  660   3HD1  LEU 108          3HD1      LEU 108  -2.371   1.368  14.694
  661   1HD2  LEU 108          1HD2      LEU 108  -4.414  -1.195  16.393
  662   2HD2  LEU 108          2HD2      LEU 108  -4.746  -0.031  15.111
  663   3HD2  LEU 108          3HD2      LEU 108  -3.890   0.475  16.562
  664    H    GLN 109           H        GLN 109  -3.029  -4.886  12.888
  665    HA   GLN 109           HA       GLN 109  -3.315  -5.883  10.783
  666   1HB   GLN 109          1HB       GLN 109  -5.921  -4.354  10.717
  667   2HB   GLN 109          2HB       GLN 109  -5.565  -5.927  10.003
  668   1HG   GLN 109          1HG       GLN 109  -5.653  -5.294  12.970
  669   2HG   GLN 109          2HG       GLN 109  -6.858  -6.214  12.070
  670   1HE2  GLN 109          1HE2      GLN 109  -5.200  -7.221  14.317
  671   2HE2  GLN 109          2HE2      GLN 109  -4.288  -8.511  13.694
  672    H    ARG 110           H        ARG 110  -2.205  -3.006  10.919
  673    HA   ARG 110           HA       ARG 110  -3.086  -1.541   8.658
  674   1HB   ARG 110          1HB       ARG 110  -0.429  -1.754  10.071
  675   2HB   ARG 110          2HB       ARG 110  -0.620  -0.718   8.660
  676   1HG   ARG 110          1HG       ARG 110  -2.352  -0.557  11.150
  677   2HG   ARG 110          2HG       ARG 110  -0.967   0.482  10.848
  678   1HD   ARG 110          1HD       ARG 110  -2.286   0.901   8.530
  679   2HD   ARG 110          2HD       ARG 110  -3.662   0.515   9.565
  680    HE   ARG 110           HE       ARG 110  -3.358   2.597  10.607
  681   1HH1  ARG 110          1HH1      ARG 110  -0.486   1.526   9.029
  682   2HH1  ARG 110          2HH1      ARG 110   0.393   2.983   9.351
  683   1HH2  ARG 110          1HH2      ARG 110  -2.227   4.506  11.036
  684   2HH2  ARG 110          2HH2      ARG 110  -0.592   4.671  10.486
  685    H    GLU 111           H        GLU 111  -2.166  -1.470   6.508
  686    HA   GLU 111           HA       GLU 111  -1.591  -4.146   5.481
  687   1HB   GLU 111          1HB       GLU 111  -1.985  -1.430   4.227
  688   2HB   GLU 111          2HB       GLU 111  -1.375  -2.776   3.265
  689   1HG   GLU 111          1HG       GLU 111  -3.345  -4.083   3.696
  690   2HG   GLU 111          2HG       GLU 111  -3.910  -2.945   4.917
  691    H    THR 112           H        THR 112   0.264  -1.086   5.779
  692    HA   THR 112           HA       THR 112   2.759  -2.710   5.311
  693    HB   THR 112           HB       THR 112   3.672  -0.664   4.154
  694    HG1  THR 112           HG1      THR 112   1.502   0.467   3.340
  695   1HG2  THR 112          1HG2      THR 112   1.720  -2.584   3.136
  696   2HG2  THR 112          2HG2      THR 112   3.143  -1.913   2.335
  697   3HG2  THR 112          3HG2      THR 112   1.610  -1.053   2.270
  698    H    ILE 113           H        ILE 113   4.715  -1.258   5.914
  699    HA   ILE 113           HA       ILE 113   4.153   0.394   8.338
  700    HB   ILE 113           HB       ILE 113   4.739  -2.000   8.956
  701   1HG1  ILE 113          1HG1      ILE 113   6.811   0.030   9.810
  702   2HG1  ILE 113          2HG1      ILE 113   5.149   0.027  10.415
  703   1HG2  ILE 113          1HG2      ILE 113   7.513  -1.236   8.022
  704   2HG2  ILE 113          2HG2      ILE 113   6.415  -2.210   7.047
  705   3HG2  ILE 113          3HG2      ILE 113   6.965  -2.804   8.613
  706   1HD1  ILE 113          1HD1      ILE 113   5.569  -2.408  11.092
  707   2HD1  ILE 113          2HD1      ILE 113   6.448  -1.193  12.017
  708   3HD1  ILE 113          3HD1      ILE 113   7.273  -2.106  10.755
  709    HA   PRO 114           HA       PRO 114   7.334   2.669   6.122
  710   1HB   PRO 114          1HB       PRO 114   7.708   4.798   7.752
  711   2HB   PRO 114          2HB       PRO 114   6.224   4.587   6.805
  712   1HG   PRO 114          1HG       PRO 114   6.688   4.186   9.712
  713   2HG   PRO 114          2HG       PRO 114   5.218   4.688   8.863
  714   1HD   PRO 114          1HD       PRO 114   5.824   2.076   9.810
  715   2HD   PRO 114          2HD       PRO 114   4.469   2.514   8.768
  716    H    ALA 115           H        ALA 115   9.400   1.961   6.031
  717    HA   ALA 115           HA       ALA 115  11.058   1.945   8.522
  718   1HB   ALA 115          1HB       ALA 115  12.068  -0.198   7.715
  719   2HB   ALA 115          2HB       ALA 115  10.844  -0.252   6.446
  720   3HB   ALA 115          3HB       ALA 115  10.362  -0.354   8.138
  721    H    LYS 116           H        LYS 116  13.110   2.669   8.241
  722    HA   LYS 116           HA       LYS 116  13.810   4.024   5.777
  723   1HB   LYS 116          1HB       LYS 116  15.047   3.604   8.473
  724   2HB   LYS 116          2HB       LYS 116  16.157   3.976   7.166
  725   1HG   LYS 116          1HG       LYS 116  14.790   5.986   6.615
  726   2HG   LYS 116          2HG       LYS 116  13.746   5.622   7.989
  727   1HD   LYS 116          1HD       LYS 116  15.562   5.927   9.544
  728   2HD   LYS 116          2HD       LYS 116  16.738   6.030   8.234
  729   1HE   LYS 116          1HE       LYS 116  16.226   8.279   9.049
  730   2HE   LYS 116          2HE       LYS 116  15.593   8.087   7.414
  731   1HZ   LYS 116          1HZ       LYS 116  13.429   7.868   8.194
  732   2HZ   LYS 116          2HZ       LYS 116  14.072   9.103   9.167
  733   3HZ   LYS 116          3HZ       LYS 116  13.919   7.527   9.781
  734    H    LEU 117           H        LEU 117  14.494   2.919   3.980
  735    HA   LEU 117           HA       LEU 117  15.624   0.217   4.245
  736   1HB   LEU 117          1HB       LEU 117  15.417   1.951   1.763
  737   2HB   LEU 117          2HB       LEU 117  15.743   0.223   1.806
  738    HG   LEU 117           HG       LEU 117  13.172   1.612   2.624
  739   1HD1  LEU 117          1HD1      LEU 117  13.279   1.373   0.246
  740   2HD1  LEU 117          2HD1      LEU 117  12.294   0.020   0.810
  741   3HD1  LEU 117          3HD1      LEU 117  13.979  -0.240   0.369
  742   1HD2  LEU 117          1HD2      LEU 117  12.411  -0.869   2.844
  743   2HD2  LEU 117          2HD2      LEU 117  13.326  -0.163   4.172
  744   3HD2  LEU 117          3HD2      LEU 117  14.130  -1.224   3.013
  745    H    VAL 118           H        VAL 118  17.758  -0.334   4.066
  746    HA   VAL 118           HA       VAL 118  19.745   1.807   3.416
  747    HB   VAL 118           HB       VAL 118  19.899  -0.144   5.738
  748   1HG1  VAL 118          1HG1      VAL 118  21.834   1.943   4.691
  749   2HG1  VAL 118          2HG1      VAL 118  22.104   0.203   4.799
  750   3HG1  VAL 118          3HG1      VAL 118  21.983   1.170   6.269
  751   1HG2  VAL 118          1HG2      VAL 118  19.768   2.883   5.767
  752   2HG2  VAL 118          2HG2      VAL 118  19.702   1.798   7.156
  753   3HG2  VAL 118          3HG2      VAL 118  18.364   1.844   6.009
  754    H    GLN 119           H        GLN 119  20.673   1.030   1.575
  755    HA   GLN 119           HA       GLN 119  20.667  -1.590   0.620
  756   1HB   GLN 119          1HB       GLN 119  22.799   0.546   0.287
  757   2HB   GLN 119          2HB       GLN 119  22.764  -0.952  -0.642
  758   1HG   GLN 119          1HG       GLN 119  21.668   0.726  -1.978
  759   2HG   GLN 119          2HG       GLN 119  20.413  -0.336  -1.350
  760   1HE2  GLN 119          1HE2      GLN 119  18.693   1.213  -1.168
  761   2HE2  GLN 119          2HE2      GLN 119  18.779   2.583  -0.172
  762    H    SER 120           H        SER 120  21.885  -3.424   1.016
  763    HA   SER 120           HA       SER 120  24.225  -3.231   2.857
  764   1HB   SER 120          1HB       SER 120  21.710  -4.836   3.290
  765   2HB   SER 120          2HB       SER 120  23.235  -5.343   4.001
  766    HG   SER 120           HG       SER 120  21.828  -2.925   4.396
  767    H    THR 121           H        THR 121  25.085  -5.690   3.044
  768    HA   THR 121           HA       THR 121  25.010  -6.925   0.312
  769    HB   THR 121           HB       THR 121  27.496  -7.424   0.765
  770    HG1  THR 121           HG1      THR 121  28.453  -6.328   2.337
  771   1HG2  THR 121          1HG2      THR 121  26.873  -5.838  -0.937
  772   2HG2  THR 121          2HG2      THR 121  28.163  -5.107   0.017
  773   3HG2  THR 121          3HG2      THR 121  26.490  -4.613   0.272
  774    H    LEU 122           H        LEU 122  25.715  -9.231   0.357
  775    HA   LEU 122           HA       LEU 122  24.358 -10.697   2.354
  776   1HB   LEU 122          1HB       LEU 122  25.115 -11.576   0.084
  777   2HB   LEU 122          2HB       LEU 122  26.721 -11.754   0.782
  778    HG   LEU 122           HG       LEU 122  25.690 -13.199   2.585
  779   1HD1  LEU 122          1HD1      LEU 122  23.400 -12.787   2.669
  780   2HD1  LEU 122          2HD1      LEU 122  23.408 -14.231   1.668
  781   3HD1  LEU 122          3HD1      LEU 122  23.247 -12.646   0.920
  782   1HD2  LEU 122          1HD2      LEU 122  25.519 -13.993  -0.327
  783   2HD2  LEU 122          2HD2      LEU 122  25.281 -15.151   0.982
  784   3HD2  LEU 122          3HD2      LEU 122  26.828 -14.319   0.810
  785    H    SER 123           H        SER 123  27.730  -9.600   2.264
  786    HA   SER 123           HA       SER 123  28.774 -11.139   4.390
  787   1HB   SER 123          1HB       SER 123  30.351  -9.804   3.268
  788   2HB   SER 123          2HB       SER 123  29.346  -8.359   3.380
  789    HG   SER 123           HG       SER 123  29.772  -8.255   5.565
  790    H    ASP 124           H        ASP 124  26.990  -8.039   4.507
  791    HA   ASP 124           HA       ASP 124  27.083  -7.609   7.293
  792   1HB   ASP 124          1HB       ASP 124  25.080  -6.956   5.134
  793   2HB   ASP 124          2HB       ASP 124  24.735  -6.553   6.803
  794    H    LEU 125           H        LEU 125  24.851  -9.587   5.329
  795    HA   LEU 125           HA       LEU 125  23.207 -10.386   7.526
  796   1HB   LEU 125          1HB       LEU 125  23.050 -10.747   4.810
  797   2HB   LEU 125          2HB       LEU 125  23.533 -12.362   5.309
  798    HG   LEU 125           HG       LEU 125  21.647 -12.353   6.965
  799   1HD1  LEU 125          1HD1      LEU 125  19.825 -10.534   6.094
  800   2HD1  LEU 125          2HD1      LEU 125  21.300  -9.611   5.833
  801   3HD1  LEU 125          3HD1      LEU 125  20.916 -10.226   7.437
  802   1HD2  LEU 125          1HD2      LEU 125  19.946 -12.832   5.305
  803   2HD2  LEU 125          2HD2      LEU 125  21.508 -13.371   4.686
  804   3HD2  LEU 125          3HD2      LEU 125  20.798 -11.868   4.099
  805    H    ARG 126           H        ARG 126  26.287 -11.601   6.309
  806    HA   ARG 126           HA       ARG 126  26.316 -14.080   7.758
  807   1HB   ARG 126          1HB       ARG 126  27.946 -13.283   5.932
  808   2HB   ARG 126          2HB       ARG 126  28.720 -12.320   7.186
  809   1HG   ARG 126          1HG       ARG 126  29.996 -14.263   7.305
  810   2HG   ARG 126          2HG       ARG 126  28.761 -14.621   8.507
  811   1HD   ARG 126          1HD       ARG 126  27.460 -15.659   6.466
  812   2HD   ARG 126          2HD       ARG 126  29.051 -15.691   5.706
  813    HE   ARG 126           HE       ARG 126  28.156 -17.455   7.818
  814   1HH1  ARG 126          1HH1      ARG 126  30.833 -15.724   6.506
  815   2HH1  ARG 126          2HH1      ARG 126  32.019 -16.823   7.127
  816   1HH2  ARG 126          1HH2      ARG 126  29.689 -18.900   8.637
  817   2HH2  ARG 126          2HH2      ARG 126  31.371 -18.621   8.333
  818    H    VAL 127           H        VAL 127  27.066 -10.753   8.690
  819    HA   VAL 127           HA       VAL 127  28.308 -11.336  11.195
  820    HB   VAL 127           HB       VAL 127  26.600  -8.948  10.425
  821   1HG1  VAL 127          1HG1      VAL 127  28.612  -9.411  12.646
  822   2HG1  VAL 127          2HG1      VAL 127  26.890  -9.083  12.835
  823   3HG1  VAL 127          3HG1      VAL 127  27.963  -7.829  12.215
  824   1HG2  VAL 127          1HG2      VAL 127  28.440  -9.153   8.882
  825   2HG2  VAL 127          2HG2      VAL 127  29.562  -9.536  10.186
  826   3HG2  VAL 127          3HG2      VAL 127  28.886  -7.913  10.053
  827    H    TYR 128           H        TYR 128  24.924 -11.105  10.168
  828    HA   TYR 128           HA       TYR 128  23.970 -11.464  12.958
  829   1HB   TYR 128          1HB       TYR 128  22.470 -11.271  10.333
  830   2HB   TYR 128          2HB       TYR 128  21.712 -11.399  11.918
  831    HD1  TYR 128           HD1      TYR 128  23.351  -9.203   9.545
  832    HD2  TYR 128           HD2      TYR 128  22.056  -9.584  13.619
  833    HE1  TYR 128           HE1      TYR 128  23.509  -6.747   9.823
  834    HE2  TYR 128           HE2      TYR 128  22.220  -7.127  13.902
  835    HH   TYR 128           HH       TYR 128  22.307  -5.139  12.680
  836    H    LEU 129           H        LEU 129  23.793 -13.255   9.872
  837    HA   LEU 129           HA       LEU 129  23.104 -15.737  11.404
  838   1HB   LEU 129          1HB       LEU 129  22.463 -14.962   8.551
  839   2HB   LEU 129          2HB       LEU 129  21.988 -16.457   9.341
  840    HG   LEU 129           HG       LEU 129  21.092 -13.651  10.057
  841   1HD1  LEU 129          1HD1      LEU 129  19.868 -14.419   8.174
  842   2HD1  LEU 129          2HD1      LEU 129  18.825 -14.774   9.551
  843   3HD1  LEU 129          3HD1      LEU 129  19.766 -16.064   8.801
  844   1HD2  LEU 129          1HD2      LEU 129  20.790 -16.278  11.505
  845   2HD2  LEU 129          2HD2      LEU 129  19.531 -15.048  11.640
  846   3HD2  LEU 129          3HD2      LEU 129  21.175 -14.686  12.161
  847    H    GLY 130           H        GLY 130  25.816 -15.055  11.084
  848   1HA   GLY 130          1HA       GLY 130  26.994 -16.115   8.710
  849   2HA   GLY 130          2HA       GLY 130  27.828 -15.918  10.248
  850    H    ALA 131           H        ALA 131  24.949 -17.954   9.632
  851    HA   ALA 131           HA       ALA 131  26.576 -20.399   9.689
  852   1HB   ALA 131          1HB       ALA 131  25.127 -21.252  11.670
  853   2HB   ALA 131          2HB       ALA 131  24.825 -19.544  11.993
  854   3HB   ALA 131          3HB       ALA 131  26.471 -20.171  12.036
  855    H    SER 132           H        SER 132  23.201 -19.264  10.185
  856    HA   SER 132           HA       SER 132  22.273 -21.454   8.377
  857   1HB   SER 132          1HB       SER 132  21.209 -21.054  10.660
  858   2HB   SER 132          2HB       SER 132  20.574 -19.546  10.001
  859    HG   SER 132           HG       SER 132  19.346 -20.647   8.597
  860    H    THR 133           H        THR 133  23.665 -19.142   7.291
  861    HA   THR 133           HA       THR 133  21.713 -17.289   6.240
  862    HB   THR 133           HB       THR 133  24.240 -17.566   4.711
  863    HG1  THR 133           HG1      THR 133  24.352 -16.920   7.459
  864   1HG2  THR 133          1HG2      THR 133  22.578 -15.563   4.914
  865   2HG2  THR 133          2HG2      THR 133  24.311 -15.234   4.910
  866   3HG2  THR 133          3HG2      THR 133  23.418 -15.238   6.430
  867    HA   PRO 134           HA       PRO 134  20.591 -20.306   2.987
  868   1HB   PRO 134          1HB       PRO 134  18.480 -18.915   1.905
  869   2HB   PRO 134          2HB       PRO 134  18.358 -19.884   3.376
  870   1HG   PRO 134          1HG       PRO 134  18.587 -16.933   3.051
  871   2HG   PRO 134          2HG       PRO 134  17.681 -17.865   4.252
  872   1HD   PRO 134          1HD       PRO 134  20.143 -16.644   4.719
  873   2HD   PRO 134          2HD       PRO 134  19.496 -17.983   5.683
  874    H    ASP 135           H        ASP 135  19.988 -19.899   0.499
  875    HA   ASP 135           HA       ASP 135  22.106 -18.084  -0.584
  876   1HB   ASP 135          1HB       ASP 135  22.112 -20.603  -1.084
  877   2HB   ASP 135          2HB       ASP 135  20.676 -20.304  -2.062
  878    H    LEU 136           H        LEU 136  21.338 -16.228  -1.376
  879    HA   LEU 136           HA       LEU 136  18.500 -15.899  -2.030
  880   1HB   LEU 136          1HB       LEU 136  20.836 -13.985  -2.250
  881   2HB   LEU 136          2HB       LEU 136  19.145 -13.546  -2.481
  882    HG   LEU 136           HG       LEU 136  20.313 -14.708   0.066
  883   1HD1  LEU 136          1HD1      LEU 136  20.998 -12.332  -0.591
  884   2HD1  LEU 136          2HD1      LEU 136  20.201 -12.497   0.974
  885   3HD1  LEU 136          3HD1      LEU 136  19.298 -11.898  -0.417
  886   1HD2  LEU 136          1HD2      LEU 136  17.540 -13.937  -0.813
  887   2HD2  LEU 136          2HD2      LEU 136  17.992 -13.715   0.875
  888   3HD2  LEU 136          3HD2      LEU 136  18.063 -15.320   0.154
  889    H    GLN 137           H        GLN 137  17.624 -15.690  -4.042
  890    HA   GLN 137           HA       GLN 137  19.437 -15.877  -6.421
  891   1HB   GLN 137          1HB       GLN 137  16.735 -17.225  -6.256
  892   2HB   GLN 137          2HB       GLN 137  18.031 -17.511  -7.413
  893   1HG   GLN 137          1HG       GLN 137  18.044 -18.196  -4.463
  894   2HG   GLN 137          2HG       GLN 137  18.011 -19.333  -5.809
  895   1HE2  GLN 137          1HE2      GLN 137  20.144 -18.347  -3.565
  896   2HE2  GLN 137          2HE2      GLN 137  21.574 -18.327  -4.468
  897   1H5*  ATP   1          1H5*      ATP   1   9.421   1.487  20.046
  898   2H5*  ATP   1          2H5*      ATP   1  10.607   1.322  21.306
  899    H4*  ATP   1           H4*      ATP   1  10.893   3.692  19.423
  900    H3*  ATP   1           H3*      ATP   1  11.673   3.130  22.265
  901   *HO3  ATP   1          *HO3      ATP   1  12.976   3.864  20.518
  902    H2*  ATP   1           H2*      ATP   1  10.054   4.484  23.172
  903   *HO2  ATP   1          *HO2      ATP   1  11.981   5.912  21.976
  904    H1*  ATP   1           H1*      ATP   1   9.692   5.851  20.460
  905    H8   ATP   1           H8       ATP   1   7.742   7.506  20.770
  906    H2   ATP   1           H2       ATP   1   6.752   2.670  24.892
  907   1HN6  ATP   1          1HN6      ATP   1   3.411   5.648  24.821
  908   2HN6  ATP   1          2HN6      ATP   1   3.580   6.496  23.305
  Start of MODEL    7
    1   1H    GLY  17          1H        GLY  17  33.352   4.232  35.072
    2   2H    GLY  17          2H        GLY  17  32.323   4.001  33.740
    3   3H    GLY  17          3H        GLY  17  33.407   5.309  33.763
    4   1HA   GLY  17          1HA       GLY  17  35.282   3.754  33.744
    5   2HA   GLY  17          2HA       GLY  17  34.122   2.431  33.621
    6    H    ALA  18           H        ALA  18  34.535   1.731  31.529
    7    HA   ALA  18           HA       ALA  18  35.159   3.351  29.303
    8   1HB   ALA  18          1HB       ALA  18  34.045   1.353  28.006
    9   2HB   ALA  18          2HB       ALA  18  33.906   0.630  29.608
   10   3HB   ALA  18          3HB       ALA  18  35.493   1.051  28.967
   11    HA   PRO  19           HA       PRO  19  31.276   5.324  28.411
   12   1HB   PRO  19          1HB       PRO  19  31.456   5.726  25.717
   13   2HB   PRO  19          2HB       PRO  19  32.460   6.612  26.881
   14   1HG   PRO  19          1HG       PRO  19  33.148   4.207  25.234
   15   2HG   PRO  19          2HG       PRO  19  34.099   5.673  25.527
   16   1HD   PRO  19          1HD       PRO  19  34.532   3.340  26.894
   17   2HD   PRO  19          2HD       PRO  19  34.819   4.935  27.620
   18    H    GLU  20           H        GLU  20  29.559   3.899  28.732
   19    HA   GLU  20           HA       GLU  20  29.112   1.595  27.015
   20   1HB   GLU  20          1HB       GLU  20  27.225   2.937  28.976
   21   2HB   GLU  20          2HB       GLU  20  27.036   1.323  28.290
   22   1HG   GLU  20          1HG       GLU  20  29.251   0.707  29.313
   23   2HG   GLU  20          2HG       GLU  20  29.260   2.276  30.117
   24    H    GLY  21           H        GLY  21  29.300   4.075  25.549
   25   1HA   GLY  21          1HA       GLY  21  27.358   3.850  23.611
   26   2HA   GLY  21          2HA       GLY  21  26.597   4.897  24.809
   27    HA   PRO  22           HA       PRO  22  30.859   7.012  23.292
   28   1HB   PRO  22          1HB       PRO  22  30.612   5.771  20.562
   29   2HB   PRO  22          2HB       PRO  22  32.071   6.269  21.443
   30   1HG   PRO  22          1HG       PRO  22  31.368   3.707  21.309
   31   2HG   PRO  22          2HG       PRO  22  32.040   4.387  22.801
   32   1HD   PRO  22          1HD       PRO  22  29.207   3.628  22.177
   33   2HD   PRO  22          2HD       PRO  22  30.064   3.592  23.732
   34    H    GLY  23           H        GLY  23  28.468   6.310  20.705
   35   1HA   GLY  23          1HA       GLY  23  27.087   8.784  20.921
   36   2HA   GLY  23          2HA       GLY  23  28.352   8.977  19.707
   37    HA   PRO  24           HA       PRO  24  24.569   6.875  17.838
   38   1HB   PRO  24          1HB       PRO  24  23.746   8.877  16.188
   39   2HB   PRO  24          2HB       PRO  24  23.253   8.791  17.890
   40   1HG   PRO  24          1HG       PRO  24  25.405  10.443  16.623
   41   2HG   PRO  24          2HG       PRO  24  24.202  10.910  17.837
   42   1HD   PRO  24          1HD       PRO  24  26.802  10.253  18.471
   43   2HD   PRO  24          2HD       PRO  24  25.444  10.009  19.590
   44    H    SER  25           H        SER  25  26.617   9.196  16.015
   45    HA   SER  25           HA       SER  25  27.860   7.096  14.463
   46   1HB   SER  25          1HB       SER  25  25.560   7.161  13.447
   47   2HB   SER  25          2HB       SER  25  25.861   8.839  12.995
   48    HG   SER  25           HG       SER  25  27.884   7.850  12.032
   49    H    GLY  26           H        GLY  26  27.234  10.436  15.165
   50   1HA   GLY  26          1HA       GLY  26  28.780  12.227  15.114
   51   2HA   GLY  26          2HA       GLY  26  29.962  11.138  14.387
   52    H    GLY  27           H        GLY  27  29.458  13.815  13.475
   53   1HA   GLY  27          1HA       GLY  27  27.770  13.664  11.094
   54   2HA   GLY  27          2HA       GLY  27  28.801  15.021  11.547
   55    H    ALA  28           H        ALA  28  30.099  11.779  11.414
   56    HA   ALA  28           HA       ALA  28  32.050  12.623   9.408
   57   1HB   ALA  28          1HB       ALA  28  32.704  11.115  11.245
   58   2HB   ALA  28          2HB       ALA  28  32.953  10.336   9.683
   59   3HB   ALA  28          3HB       ALA  28  31.555   9.907  10.669
   60    H    GLN  29           H        GLN  29  29.314  10.343   9.531
   61    HA   GLN  29           HA       GLN  29  29.661   9.577   6.732
   62   1HB   GLN  29          1HB       GLN  29  27.355   8.515   7.130
   63   2HB   GLN  29          2HB       GLN  29  28.682   7.909   8.122
   64   1HG   GLN  29          1HG       GLN  29  27.977   9.176  10.016
   65   2HG   GLN  29          2HG       GLN  29  26.877  10.153   9.044
   66   1HE2  GLN  29          1HE2      GLN  29  26.673   6.996   7.909
   67   2HE2  GLN  29          2HE2      GLN  29  25.334   6.476   8.813
   68    H    GLY  30           H        GLY  30  29.644  12.063   6.234
   69   1HA   GLY  30          1HA       GLY  30  27.035  12.656   5.054
   70   2HA   GLY  30          2HA       GLY  30  27.495  13.770   6.341
   71    H    GLY  31           H        GLY  31  27.197  14.843   3.852
   72   1HA   GLY  31          1HA       GLY  31  28.415  16.360   2.505
   73   2HA   GLY  31          2HA       GLY  31  29.896  15.814   3.293
   74    H    SER  32           H        SER  32  27.517  14.956   0.802
   75    HA   SER  32           HA       SER  32  29.621  13.850  -0.879
   76   1HB   SER  32          1HB       SER  32  29.052  11.994   0.794
   77   2HB   SER  32          2HB       SER  32  27.473  11.917   0.014
   78    HG   SER  32           HG       SER  32  30.014  11.511  -1.168
   79    H    ILE  33           H        ILE  33  28.817  13.393  -3.036
   80    HA   ILE  33           HA       ILE  33  26.464  14.992  -3.711
   81    HB   ILE  33           HB       ILE  33  28.513  14.925  -5.143
   82   1HG1  ILE  33          1HG1      ILE  33  26.127  13.782  -6.614
   83   2HG1  ILE  33          2HG1      ILE  33  26.153  15.434  -5.997
   84   1HG2  ILE  33          1HG2      ILE  33  29.060  12.969  -6.411
   85   2HG2  ILE  33          2HG2      ILE  33  27.572  12.156  -5.924
   86   3HG2  ILE  33          3HG2      ILE  33  28.856  12.428  -4.745
   87   1HD1  ILE  33          1HD1      ILE  33  28.141  15.935  -7.332
   88   2HD1  ILE  33          2HD1      ILE  33  26.872  15.302  -8.381
   89   3HD1  ILE  33          3HD1      ILE  33  28.212  14.264  -7.893
   90    H    HIS  34           H        HIS  34  24.490  14.197  -4.506
   91    HA   HIS  34           HA       HIS  34  23.807  11.475  -3.676
   92   1HB   HIS  34          1HB       HIS  34  22.268  13.490  -3.479
   93   2HB   HIS  34          2HB       HIS  34  22.081  13.419  -5.231
   94    HD1  HIS  34           HD1      HIS  34  21.879  10.894  -2.361
   95    HD2  HIS  34           HD2      HIS  34  19.903  11.875  -5.897
   96    HE1  HIS  34           HE1      HIS  34  19.942   9.277  -2.571
   97    H    SER  35           H        SER  35  24.544   9.863  -5.001
   98    HA   SER  35           HA       SER  35  24.777  10.253  -7.892
   99   1HB   SER  35          1HB       SER  35  26.326   8.806  -6.491
  100   2HB   SER  35          2HB       SER  35  24.998   7.654  -6.352
  101    HG   SER  35           HG       SER  35  26.481   7.275  -8.125
  102    H    GLY  36           H        GLY  36  23.882   7.947  -9.026
  103   1HA   GLY  36          1HA       GLY  36  21.092   8.372  -9.331
  104   2HA   GLY  36          2HA       GLY  36  21.941   6.915  -9.846
  105    H    ARG  37           H        ARG  37  22.755   6.973  -6.749
  106    HA   ARG  37           HA       ARG  37  20.945   4.897  -5.967
  107   1HB   ARG  37          1HB       ARG  37  23.249   5.284  -5.013
  108   2HB   ARG  37          2HB       ARG  37  22.595   6.668  -4.142
  109   1HG   ARG  37          1HG       ARG  37  22.586   4.749  -2.653
  110   2HG   ARG  37          2HG       ARG  37  20.921   5.144  -3.069
  111   1HD   ARG  37          1HD       ARG  37  22.317   3.156  -4.823
  112   2HD   ARG  37          2HD       ARG  37  21.852   2.626  -3.208
  113    HE   ARG  37           HE       ARG  37  19.548   3.798  -4.119
  114   1HH1  ARG  37          1HH1      ARG  37  21.787   1.515  -5.406
  115   2HH1  ARG  37          2HH1      ARG  37  20.597   0.676  -6.344
  116   1HH2  ARG  37          1HH2      ARG  37  17.981   2.716  -5.336
  117   2HH2  ARG  37          2HH2      ARG  37  18.441   1.356  -6.304
  118    H    ILE  38           H        ILE  38  19.211   4.982  -4.426
  119    HA   ILE  38           HA       ILE  38  18.216   7.684  -3.652
  120    HB   ILE  38           HB       ILE  38  16.516   5.609  -5.088
  121   1HG1  ILE  38          1HG1      ILE  38  17.717   8.245  -5.970
  122   2HG1  ILE  38          2HG1      ILE  38  18.032   6.652  -6.655
  123   1HG2  ILE  38          1HG2      ILE  38  14.731   7.210  -4.970
  124   2HG2  ILE  38          2HG2      ILE  38  15.804   8.469  -4.366
  125   3HG2  ILE  38          3HG2      ILE  38  15.381   7.101  -3.338
  126   1HD1  ILE  38          1HD1      ILE  38  15.507   8.298  -6.845
  127   2HD1  ILE  38          2HD1      ILE  38  15.505   6.563  -7.163
  128   3HD1  ILE  38          3HD1      ILE  38  16.485   7.641  -8.157
  129    H    ALA  39           H        ALA  39  18.536   7.257  -1.494
  130    HA   ALA  39           HA       ALA  39  17.144   4.874  -0.310
  131   1HB   ALA  39          1HB       ALA  39  19.453   4.779   0.263
  132   2HB   ALA  39          2HB       ALA  39  18.651   5.436   1.690
  133   3HB   ALA  39          3HB       ALA  39  19.521   6.510   0.594
  134    H    ALA  40           H        ALA  40  15.253   5.389   0.657
  135    HA   ALA  40           HA       ALA  40  15.060   7.786   2.351
  136   1HB   ALA  40          1HB       ALA  40  14.485   8.342  -0.153
  137   2HB   ALA  40          2HB       ALA  40  13.434   8.944   1.127
  138   3HB   ALA  40          3HB       ALA  40  12.968   7.517   0.200
  139    H    VAL  41           H        VAL  41  12.479   7.877   2.956
  140    HA   VAL  41           HA       VAL  41  12.005   5.365   4.357
  141    HB   VAL  41           HB       VAL  41  10.223   7.804   4.093
  142   1HG1  VAL  41          1HG1      VAL  41   8.952   5.889   4.843
  143   2HG1  VAL  41          2HG1      VAL  41   9.259   6.919   6.240
  144   3HG1  VAL  41          3HG1      VAL  41  10.209   5.454   6.003
  145   1HG2  VAL  41          1HG2      VAL  41  11.154   8.194   6.482
  146   2HG2  VAL  41          2HG2      VAL  41  12.208   8.586   5.128
  147   3HG2  VAL  41          3HG2      VAL  41  12.438   7.079   6.014
  148    H    HIS  42           H        HIS  42  10.422   3.835   3.871
  149    HA   HIS  42           HA       HIS  42   8.630   4.302   1.538
  150   1HB   HIS  42          1HB       HIS  42  10.819   2.253   1.757
  151   2HB   HIS  42          2HB       HIS  42   9.371   1.861   0.833
  152    HD1  HIS  42           HD1      HIS  42   9.390   2.585  -1.540
  153    HD2  HIS  42           HD2      HIS  42  12.049   4.823   0.755
  154    HE1  HIS  42           HE1      HIS  42  10.625   4.098  -3.147
  155    H    ASN  43           H        ASN  43   6.977   2.575   1.372
  156    HA   ASN  43           HA       ASN  43   6.265   1.477   4.059
  157   1HB   ASN  43          1HB       ASN  43   3.996   1.166   2.920
  158   2HB   ASN  43          2HB       ASN  43   4.497   2.831   3.209
  159   1HD2  ASN  43          1HD2      ASN  43   2.833   3.058   1.283
  160   2HD2  ASN  43          2HD2      ASN  43   3.505   2.990  -0.269
  161    H    VAL  44           H        VAL  44   7.505  -0.436   3.999
  162    HA   VAL  44           HA       VAL  44   7.354  -2.191   1.655
  163    HB   VAL  44           HB       VAL  44   9.424  -1.803   3.125
  164   1HG1  VAL  44          1HG1      VAL  44   9.660  -3.066   5.126
  165   2HG1  VAL  44          2HG1      VAL  44   8.160  -3.947   4.835
  166   3HG1  VAL  44          3HG1      VAL  44   8.109  -2.241   5.273
  167   1HG2  VAL  44          1HG2      VAL  44  10.196  -4.117   2.811
  168   2HG2  VAL  44          2HG2      VAL  44   9.287  -3.568   1.405
  169   3HG2  VAL  44          3HG2      VAL  44   8.532  -4.647   2.580
  170    HA   PRO  45           HA       PRO  45   3.572  -4.223   3.135
  171   1HB   PRO  45          1HB       PRO  45   4.803  -6.570   1.725
  172   2HB   PRO  45          2HB       PRO  45   3.138  -5.961   1.651
  173   1HG   PRO  45          1HG       PRO  45   4.857  -5.482  -0.316
  174   2HG   PRO  45          2HG       PRO  45   3.703  -4.245   0.208
  175   1HD   PRO  45          1HD       PRO  45   6.653  -4.408   0.701
  176   2HD   PRO  45          2HD       PRO  45   5.619  -2.980   0.498
  177    H    LEU  46           H        LEU  46   3.075  -5.396   4.952
  178    HA   LEU  46           HA       LEU  46   5.184  -6.309   6.684
  179   1HB   LEU  46          1HB       LEU  46   2.221  -6.914   6.723
  180   2HB   LEU  46          2HB       LEU  46   3.331  -7.251   8.038
  181    HG   LEU  46           HG       LEU  46   3.259  -4.433   7.011
  182   1HD1  LEU  46          1HD1      LEU  46   0.907  -4.954   7.104
  183   2HD1  LEU  46          2HD1      LEU  46   1.318  -3.939   8.488
  184   3HD1  LEU  46          3HD1      LEU  46   1.087  -5.673   8.703
  185   1HD2  LEU  46          1HD2      LEU  46   4.777  -4.918   8.840
  186   2HD2  LEU  46          2HD2      LEU  46   3.495  -5.715   9.752
  187   3HD2  LEU  46          3HD2      LEU  46   3.436  -3.977   9.486
  188    H    SER  47           H        SER  47   3.149  -7.826   4.286
  189    HA   SER  47           HA       SER  47   3.546 -10.545   5.081
  190   1HB   SER  47          1HB       SER  47   1.784 -10.351   3.595
  191   2HB   SER  47          2HB       SER  47   2.620  -9.165   2.594
  192    HG   SER  47           HG       SER  47   2.894 -11.959   2.662
  193    H    VAL  48           H        VAL  48   5.757  -8.380   3.440
  194    HA   VAL  48           HA       VAL  48   7.417 -10.741   2.620
  195    HB   VAL  48           HB       VAL  48   8.451  -9.359   0.985
  196   1HG1  VAL  48          1HG1      VAL  48   6.192 -10.196   0.422
  197   2HG1  VAL  48          2HG1      VAL  48   6.542  -8.667  -0.383
  198   3HG1  VAL  48          3HG1      VAL  48   5.498  -8.696   1.035
  199   1HG2  VAL  48          1HG2      VAL  48   7.024  -7.058   2.327
  200   2HG2  VAL  48          2HG2      VAL  48   7.799  -6.934   0.753
  201   3HG2  VAL  48          3HG2      VAL  48   8.763  -7.294   2.182
  202    H    LEU  49           H        LEU  49   7.262  -9.378   5.368
  203    HA   LEU  49           HA       LEU  49   9.993  -8.253   5.593
  204   1HB   LEU  49          1HB       LEU  49   7.757  -8.684   7.600
  205   2HB   LEU  49          2HB       LEU  49   9.351  -8.098   8.056
  206    HG   LEU  49           HG       LEU  49   7.489  -6.743   6.080
  207   1HD1  LEU  49          1HD1      LEU  49   7.069  -5.144   7.826
  208   2HD1  LEU  49          2HD1      LEU  49   8.320  -5.845   8.851
  209   3HD1  LEU  49          3HD1      LEU  49   6.833  -6.740   8.542
  210   1HD2  LEU  49          1HD2      LEU  49   9.270  -4.834   6.690
  211   2HD2  LEU  49          2HD2      LEU  49   9.568  -5.975   5.384
  212   3HD2  LEU  49          3HD2      LEU  49  10.313  -6.228   6.961
  213    H    ILE  50           H        ILE  50  11.682  -9.555   6.000
  214    HA   ILE  50           HA       ILE  50  11.203 -12.352   6.866
  215    HB   ILE  50           HB       ILE  50  13.814 -11.046   6.109
  216   1HG1  ILE  50          1HG1      ILE  50  11.704 -12.350   4.377
  217   2HG1  ILE  50          2HG1      ILE  50  12.265 -10.687   4.278
  218   1HG2  ILE  50          1HG2      ILE  50  14.587 -13.262   5.750
  219   2HG2  ILE  50          2HG2      ILE  50  12.953 -13.924   5.826
  220   3HG2  ILE  50          3HG2      ILE  50  13.728 -13.311   7.288
  221   1HD1  ILE  50          1HD1      ILE  50  14.600 -11.672   3.853
  222   2HD1  ILE  50          2HD1      ILE  50  13.425 -11.813   2.548
  223   3HD1  ILE  50          3HD1      ILE  50  13.773 -13.205   3.574
  224    H    ARG  51           H        ARG  51  11.242 -12.726   9.002
  225    HA   ARG  51           HA       ARG  51  13.294 -11.347  10.693
  226   1HB   ARG  51          1HB       ARG  51  10.433 -11.863  11.544
  227   2HB   ARG  51          2HB       ARG  51  11.682 -11.019  12.459
  228   1HG   ARG  51          1HG       ARG  51  11.797  -9.416  10.422
  229   2HG   ARG  51          2HG       ARG  51  10.250 -10.115   9.958
  230   1HD   ARG  51          1HD       ARG  51   9.698  -8.200  11.246
  231   2HD   ARG  51          2HD       ARG  51   9.458  -9.562  12.333
  232    HE   ARG  51           HE       ARG  51  11.721  -7.622  12.438
  233   1HH1  ARG  51          1HH1      ARG  51  10.030 -10.360  13.747
  234   2HH1  ARG  51          2HH1      ARG  51  10.845 -10.279  15.269
  235   1HH2  ARG  51          1HH2      ARG  51  12.772  -7.535  14.418
  236   2HH2  ARG  51          2HH2      ARG  51  12.389  -8.692  15.648
  237    HA   PRO  52           HA       PRO  52  13.367 -15.822  11.724
  238   1HB   PRO  52          1HB       PRO  52  15.955 -16.310  11.343
  239   2HB   PRO  52          2HB       PRO  52  14.900 -16.004   9.947
  240   1HG   PRO  52          1HG       PRO  52  16.854 -14.178  11.289
  241   2HG   PRO  52          2HG       PRO  52  16.496 -14.368   9.568
  242   1HD   PRO  52          1HD       PRO  52  15.404 -12.383  11.298
  243   2HD   PRO  52          2HD       PRO  52  14.827 -12.775   9.664
  244    H    LEU  53           H        LEU  53  13.694 -13.358  13.548
  245    HA   LEU  53           HA       LEU  53  15.172 -14.754  15.725
  246   1HB   LEU  53          1HB       LEU  53  16.496 -12.914  14.385
  247   2HB   LEU  53          2HB       LEU  53  15.526 -11.788  15.323
  248    HG   LEU  53           HG       LEU  53  17.127 -14.012  16.627
  249   1HD1  LEU  53          1HD1      LEU  53  18.884 -12.355  17.031
  250   2HD1  LEU  53          2HD1      LEU  53  17.972 -11.144  16.129
  251   3HD1  LEU  53          3HD1      LEU  53  18.631 -12.556  15.295
  252   1HD2  LEU  53          1HD2      LEU  53  15.864 -11.430  17.593
  253   2HD2  LEU  53          2HD2      LEU  53  16.993 -12.378  18.559
  254   3HD2  LEU  53          3HD2      LEU  53  15.447 -13.072  18.080
  255    HA   PRO  54           HA       PRO  54  11.160 -13.038  17.234
  256   1HB   PRO  54          1HB       PRO  54  10.577 -14.998  19.045
  257   2HB   PRO  54          2HB       PRO  54  10.245 -15.164  17.311
  258   1HG   PRO  54          1HG       PRO  54  12.489 -16.283  18.929
  259   2HG   PRO  54          2HG       PRO  54  11.575 -17.026  17.607
  260   1HD   PRO  54          1HD       PRO  54  14.087 -15.895  17.316
  261   2HD   PRO  54          2HD       PRO  54  12.927 -16.068  15.982
  262    H    SER  55           H        SER  55  10.486 -12.335  19.492
  263    HA   SER  55           HA       SER  55  12.705 -12.242  21.469
  264   1HB   SER  55          1HB       SER  55  11.635  -9.928  19.907
  265   2HB   SER  55          2HB       SER  55  12.049  -9.646  21.593
  266    HG   SER  55           HG       SER  55  14.093 -10.773  20.994
  267    H    VAL  56           H        VAL  56  11.929 -11.164  23.514
  268    HA   VAL  56           HA       VAL  56   9.208 -12.122  24.131
  269    HB   VAL  56           HB       VAL  56  11.296 -12.419  25.648
  270   1HG1  VAL  56          1HG1      VAL  56  11.807  -9.874  25.505
  271   2HG1  VAL  56          2HG1      VAL  56  11.949 -10.661  27.073
  272   3HG1  VAL  56          3HG1      VAL  56  10.523  -9.697  26.701
  273   1HG2  VAL  56          1HG2      VAL  56   9.892 -12.219  27.687
  274   2HG2  VAL  56          2HG2      VAL  56   9.024 -12.986  26.357
  275   3HG2  VAL  56          3HG2      VAL  56   8.707 -11.298  26.760
  276    H    LEU  57           H        LEU  57   7.589 -10.769  23.604
  277    HA   LEU  57           HA       LEU  57   8.034  -7.850  23.571
  278   1HB   LEU  57          1HB       LEU  57   5.606  -9.469  22.807
  279   2HB   LEU  57          2HB       LEU  57   5.823  -7.751  22.520
  280    HG   LEU  57           HG       LEU  57   7.683  -9.895  21.432
  281   1HD1  LEU  57          1HD1      LEU  57   5.573 -10.231  20.351
  282   2HD1  LEU  57          2HD1      LEU  57   6.529  -9.259  19.232
  283   3HD1  LEU  57          3HD1      LEU  57   5.282  -8.496  20.221
  284   1HD2  LEU  57          1HD2      LEU  57   8.923  -7.931  21.405
  285   2HD2  LEU  57          2HD2      LEU  57   7.509  -6.900  21.200
  286   3HD2  LEU  57          3HD2      LEU  57   8.129  -7.831  19.837
  287    H    ASP  58           H        ASP  58   6.883  -6.412  24.786
  288    HA   ASP  58           HA       ASP  58   5.612  -7.484  27.255
  289   1HB   ASP  58          1HB       ASP  58   7.418  -6.023  27.759
  290   2HB   ASP  58          2HB       ASP  58   6.934  -4.856  26.542
  291    HA   PRO  59           HA       PRO  59   1.765  -6.039  25.418
  292   1HB   PRO  59          1HB       PRO  59   0.085  -6.290  27.535
  293   2HB   PRO  59          2HB       PRO  59   0.772  -7.701  26.707
  294   1HG   PRO  59          1HG       PRO  59   1.664  -6.384  29.247
  295   2HG   PRO  59          2HG       PRO  59   1.445  -8.103  28.898
  296   1HD   PRO  59          1HD       PRO  59   3.903  -6.879  28.819
  297   2HD   PRO  59          2HD       PRO  59   3.492  -8.275  27.799
  298    H    ALA  60           H        ALA  60   3.288  -4.416  28.069
  299    HA   ALA  60           HA       ALA  60   1.343  -2.213  28.146
  300   1HB   ALA  60          1HB       ALA  60   2.737  -3.103  30.124
  301   2HB   ALA  60          2HB       ALA  60   2.648  -1.351  29.926
  302   3HB   ALA  60          3HB       ALA  60   4.088  -2.226  29.405
  303    H    LYS  61           H        LYS  61   4.616  -2.806  26.878
  304    HA   LYS  61           HA       LYS  61   4.946  -0.078  25.975
  305   1HB   LYS  61          1HB       LYS  61   6.630  -2.278  26.328
  306   2HB   LYS  61          2HB       LYS  61   6.578  -2.106  24.582
  307   1HG   LYS  61          1HG       LYS  61   7.132   0.334  24.882
  308   2HG   LYS  61          2HG       LYS  61   7.344   0.008  26.602
  309   1HD   LYS  61          1HD       LYS  61   8.864  -1.392  24.378
  310   2HD   LYS  61          2HD       LYS  61   9.500  -0.053  25.332
  311   1HE   LYS  61          1HE       LYS  61   8.892  -1.563  27.389
  312   2HE   LYS  61          2HE       LYS  61   8.884  -2.869  26.203
  313   1HZ   LYS  61          1HZ       LYS  61  11.150  -1.390  25.685
  314   2HZ   LYS  61          2HZ       LYS  61  11.073  -2.927  26.404
  315   3HZ   LYS  61          3HZ       LYS  61  11.091  -1.533  27.374
  316    H    VAL  62           H        VAL  62   3.659  -3.041  24.550
  317    HA   VAL  62           HA       VAL  62   3.615  -2.038  21.833
  318    HB   VAL  62           HB       VAL  62   2.022  -4.226  23.209
  319   1HG1  VAL  62          1HG1      VAL  62   2.098  -3.306  20.328
  320   2HG1  VAL  62          2HG1      VAL  62   0.685  -3.542  21.356
  321   3HG1  VAL  62          3HG1      VAL  62   1.598  -4.936  20.779
  322   1HG2  VAL  62          1HG2      VAL  62   4.486  -4.572  22.970
  323   2HG2  VAL  62          2HG2      VAL  62   4.320  -4.349  21.229
  324   3HG2  VAL  62          3HG2      VAL  62   3.546  -5.723  22.020
  325    H    GLN  63           H        GLN  63   1.373  -1.932  24.565
  326    HA   GLN  63           HA       GLN  63  -0.878  -0.888  23.126
  327   1HB   GLN  63          1HB       GLN  63  -0.028  -0.690  26.025
  328   2HB   GLN  63          2HB       GLN  63  -1.541  -0.006  25.431
  329   1HG   GLN  63          1HG       GLN  63  -0.805  -2.893  24.910
  330   2HG   GLN  63          2HG       GLN  63  -1.615  -2.407  26.398
  331   1HE2  GLN  63          1HE2      GLN  63  -3.392  -3.873  25.378
  332   2HE2  GLN  63          2HE2      GLN  63  -4.489  -3.125  24.320
  333    H    SER  64           H        SER  64   1.859   0.671  24.779
  334    HA   SER  64           HA       SER  64   0.974   3.365  24.459
  335   1HB   SER  64          1HB       SER  64   2.931   2.539  25.871
  336   2HB   SER  64          2HB       SER  64   3.859   2.450  24.374
  337    HG   SER  64           HG       SER  64   2.638   4.728  25.531
  338    H    LEU  65           H        LEU  65   2.768   1.191  22.305
  339    HA   LEU  65           HA       LEU  65   3.233   3.232  20.295
  340   1HB   LEU  65          1HB       LEU  65   3.600   0.268  20.547
  341   2HB   LEU  65          2HB       LEU  65   3.579   0.941  18.926
  342    HG   LEU  65           HG       LEU  65   5.310   2.228  21.037
  343   1HD1  LEU  65          1HD1      LEU  65   7.174   0.710  20.106
  344   2HD1  LEU  65          2HD1      LEU  65   5.869  -0.331  19.537
  345   3HD1  LEU  65          3HD1      LEU  65   6.052  -0.009  21.260
  346   1HD2  LEU  65          1HD2      LEU  65   6.713   2.707  19.019
  347   2HD2  LEU  65          2HD2      LEU  65   5.089   3.382  18.899
  348   3HD2  LEU  65          3HD2      LEU  65   5.498   1.908  18.024
  349    H    VAL  66           H        VAL  66   0.960   0.494  20.620
  350    HA   VAL  66           HA       VAL  66  -0.474   0.887  18.216
  351    HB   VAL  66           HB       VAL  66  -1.236  -0.185  20.939
  352   1HG1  VAL  66          1HG1      VAL  66  -2.985   0.116  18.498
  353   2HG1  VAL  66          2HG1      VAL  66  -3.326   0.636  20.146
  354   3HG1  VAL  66          3HG1      VAL  66  -3.308  -1.082  19.749
  355   1HG2  VAL  66          1HG2      VAL  66  -0.803  -1.430  18.212
  356   2HG2  VAL  66          2HG2      VAL  66  -1.339  -2.319  19.637
  357   3HG2  VAL  66          3HG2      VAL  66   0.258  -1.570  19.615
  358    H    ASP  67           H        ASP  67  -0.608   2.554  21.308
  359    HA   ASP  67           HA       ASP  67  -3.004   4.079  20.676
  360   1HB   ASP  67          1HB       ASP  67  -0.890   4.175  22.826
  361   2HB   ASP  67          2HB       ASP  67  -2.057   5.482  22.674
  362    H    THR  68           H        THR  68   0.494   4.585  20.372
  363    HA   THR  68           HA       THR  68   0.341   7.385  19.745
  364    HB   THR  68           HB       THR  68   2.466   5.500  18.708
  365    HG1  THR  68           HG1      THR  68   1.760   6.127  21.289
  366   1HG2  THR  68          1HG2      THR  68   2.530   8.360  19.708
  367   2HG2  THR  68          2HG2      THR  68   2.538   7.872  18.014
  368   3HG2  THR  68          3HG2      THR  68   3.901   7.462  19.056
  369    H    ILE  69           H        ILE  69   0.649   4.500  17.660
  370    HA   ILE  69           HA       ILE  69   0.513   5.850  15.172
  371    HB   ILE  69           HB       ILE  69  -0.574   3.092  15.828
  372   1HG1  ILE  69          1HG1      ILE  69   2.216   4.083  15.173
  373   2HG1  ILE  69          2HG1      ILE  69   1.705   3.197  16.603
  374   1HG2  ILE  69          1HG2      ILE  69  -1.152   4.133  13.565
  375   2HG2  ILE  69          2HG2      ILE  69  -0.267   2.614  13.485
  376   3HG2  ILE  69          3HG2      ILE  69   0.577   4.139  13.223
  377   1HD1  ILE  69          1HD1      ILE  69   2.796   1.602  15.201
  378   2HD1  ILE  69          2HD1      ILE  69   1.923   2.157  13.773
  379   3HD1  ILE  69          3HD1      ILE  69   1.070   1.285  15.046
  380    H    ARG  70           H        ARG  70  -2.071   4.627  17.283
  381    HA   ARG  70           HA       ARG  70  -4.187   5.426  15.449
  382   1HB   ARG  70          1HB       ARG  70  -3.998   4.174  18.143
  383   2HB   ARG  70          2HB       ARG  70  -5.453   5.123  17.881
  384   1HG   ARG  70          1HG       ARG  70  -5.842   3.824  15.763
  385   2HG   ARG  70          2HG       ARG  70  -4.469   2.805  16.193
  386   1HD   ARG  70          1HD       ARG  70  -6.652   1.823  16.906
  387   2HD   ARG  70          2HD       ARG  70  -5.578   2.138  18.269
  388    HE   ARG  70           HE       ARG  70  -7.112   3.764  19.032
  389   1HH1  ARG  70          1HH1      ARG  70  -7.659   2.883  15.744
  390   2HH1  ARG  70          2HH1      ARG  70  -9.141   3.770  15.614
  391   1HH2  ARG  70          1HH2      ARG  70  -9.044   4.927  18.881
  392   2HH2  ARG  70          2HH2      ARG  70  -9.926   4.927  17.390
  393    H    GLU  71           H        GLU  71  -2.590   6.925  18.236
  394    HA   GLU  71           HA       GLU  71  -4.525   9.146  18.276
  395   1HB   GLU  71          1HB       GLU  71  -3.429   8.232  20.355
  396   2HB   GLU  71          2HB       GLU  71  -1.903   8.895  19.772
  397   1HG   GLU  71          1HG       GLU  71  -2.903  11.149  19.711
  398   2HG   GLU  71          2HG       GLU  71  -4.433  10.487  20.287
  399    H    ASP  72           H        ASP  72  -1.217   8.544  17.183
  400    HA   ASP  72           HA       ASP  72  -1.360  10.937  15.481
  401   1HB   ASP  72          1HB       ASP  72  -0.526  11.646  17.801
  402   2HB   ASP  72          2HB       ASP  72   0.926  10.719  17.439
  403    HA   PRO  73           HA       PRO  73   1.134   7.518  13.655
  404   1HB   PRO  73          1HB       PRO  73   0.436   7.888  11.048
  405   2HB   PRO  73          2HB       PRO  73  -0.601   7.033  12.205
  406   1HG   PRO  73          1HG       PRO  73  -0.780   9.848  11.217
  407   2HG   PRO  73          2HG       PRO  73  -2.073   8.674  11.502
  408   1HD   PRO  73          1HD       PRO  73  -1.428  10.692  13.264
  409   2HD   PRO  73          2HD       PRO  73  -2.189   9.168  13.766
  410    H    ASP  74           H        ASP  74   1.411  10.881  13.436
  411    HA   ASP  74           HA       ASP  74   3.628  10.853  11.476
  412   1HB   ASP  74          1HB       ASP  74   2.230  13.051  13.012
  413   2HB   ASP  74          2HB       ASP  74   3.677  13.347  12.049
  414    H    SER  75           H        SER  75   3.201  11.014  14.985
  415    HA   SER  75           HA       SER  75   5.997  11.812  15.433
  416   1HB   SER  75          1HB       SER  75   4.093  12.441  16.980
  417   2HB   SER  75          2HB       SER  75   4.008  10.745  17.459
  418    HG   SER  75           HG       SER  75   5.347  11.848  18.873
  419    H    VAL  76           H        VAL  76   5.190   9.204  14.009
  420    HA   VAL  76           HA       VAL  76   6.659   7.297  15.795
  421    HB   VAL  76           HB       VAL  76   4.851   6.445  13.534
  422   1HG1  VAL  76          1HG1      VAL  76   4.728   4.396  14.715
  423   2HG1  VAL  76          2HG1      VAL  76   5.297   5.119  16.218
  424   3HG1  VAL  76          3HG1      VAL  76   6.417   4.875  14.874
  425   1HG2  VAL  76          1HG2      VAL  76   3.398   7.880  14.757
  426   2HG2  VAL  76          2HG2      VAL  76   4.059   7.355  16.305
  427   3HG2  VAL  76          3HG2      VAL  76   3.058   6.257  15.355
  428    HA   PRO  77           HA       PRO  77   9.380   7.946  12.169
  429   1HB   PRO  77          1HB       PRO  77  11.737   7.123  13.347
  430   2HB   PRO  77          2HB       PRO  77  11.065   8.754  13.499
  431   1HG   PRO  77          1HG       PRO  77  11.055   6.494  15.432
  432   2HG   PRO  77          2HG       PRO  77  11.111   8.236  15.736
  433   1HD   PRO  77          1HD       PRO  77   8.830   6.615  15.971
  434   2HD   PRO  77          2HD       PRO  77   8.812   8.386  15.840
  435    HA   PRO  78           HA       PRO  78   9.676   3.829  10.530
  436   1HB   PRO  78          1HB       PRO  78  11.735   4.052   8.762
  437   2HB   PRO  78          2HB       PRO  78  10.182   4.865   8.510
  438   1HG   PRO  78          1HG       PRO  78  12.743   5.969   9.597
  439   2HG   PRO  78          2HG       PRO  78  11.633   6.677   8.415
  440   1HD   PRO  78          1HD       PRO  78  11.641   7.399  11.055
  441   2HD   PRO  78          2HD       PRO  78  10.175   7.447  10.062
  442    H    ILE  79           H        ILE  79  11.264   1.982  10.153
  443    HA   ILE  79           HA       ILE  79  13.326   1.925  12.336
  444    HB   ILE  79           HB       ILE  79  13.053  -0.613  12.024
  445   1HG1  ILE  79          1HG1      ILE  79  10.346   0.083  10.874
  446   2HG1  ILE  79          2HG1      ILE  79  11.724  -0.111   9.790
  447   1HG2  ILE  79          1HG2      ILE  79  10.801  -0.544  13.303
  448   2HG2  ILE  79          2HG2      ILE  79  10.926   1.208  13.149
  449   3HG2  ILE  79          3HG2      ILE  79  12.175   0.307  14.008
  450   1HD1  ILE  79          1HD1      ILE  79  10.728  -2.164  11.785
  451   2HD1  ILE  79          2HD1      ILE  79  12.142  -2.356  10.749
  452   3HD1  ILE  79          3HD1      ILE  79  10.534  -2.237  10.034
  453    H    ASP  80           H        ASP  80  15.262   0.581  11.799
  454    HA   ASP  80           HA       ASP  80  16.206   1.210   9.089
  455   1HB   ASP  80          1HB       ASP  80  18.304   0.020  10.089
  456   2HB   ASP  80          2HB       ASP  80  17.842   1.587  10.743
  457    H    VAL  81           H        VAL  81  16.168  -0.264   7.446
  458    HA   VAL  81           HA       VAL  81  15.946  -3.178   8.108
  459    HB   VAL  81           HB       VAL  81  14.179  -1.474   6.353
  460   1HG1  VAL  81          1HG1      VAL  81  14.788  -4.413   5.981
  461   2HG1  VAL  81          2HG1      VAL  81  14.862  -3.134   4.772
  462   3HG1  VAL  81          3HG1      VAL  81  13.303  -3.667   5.398
  463   1HG2  VAL  81          1HG2      VAL  81  13.695  -3.739   8.316
  464   2HG2  VAL  81          2HG2      VAL  81  12.429  -2.886   7.430
  465   3HG2  VAL  81          3HG2      VAL  81  13.414  -2.022   8.611
  466    H    LEU  82           H        LEU  82  17.206  -4.471   6.861
  467    HA   LEU  82           HA       LEU  82  19.137  -3.162   5.072
  468   1HB   LEU  82          1HB       LEU  82  18.864  -6.075   5.865
  469   2HB   LEU  82          2HB       LEU  82  20.255  -5.346   5.065
  470    HG   LEU  82           HG       LEU  82  19.308  -4.190   7.691
  471   1HD1  LEU  82          1HD1      LEU  82  21.140  -6.589   7.431
  472   2HD1  LEU  82          2HD1      LEU  82  19.487  -6.640   8.045
  473   3HD1  LEU  82          3HD1      LEU  82  20.726  -5.744   8.924
  474   1HD2  LEU  82          1HD2      LEU  82  22.046  -4.532   6.433
  475   2HD2  LEU  82          2HD2      LEU  82  21.690  -3.647   7.916
  476   3HD2  LEU  82          3HD2      LEU  82  21.079  -3.059   6.371
  477    H    TRP  83           H        TRP  83  19.093  -3.252   2.893
  478    HA   TRP  83           HA       TRP  83  16.956  -4.877   1.562
  479   1HB   TRP  83          1HB       TRP  83  16.778  -2.435   1.317
  480   2HB   TRP  83          2HB       TRP  83  18.424  -2.363   0.731
  481    HD1  TRP  83           HD1      TRP  83  16.537  -5.289  -0.706
  482    HE1  TRP  83           HE1      TRP  83  15.892  -4.744  -3.150
  483    HE3  TRP  83           HE3      TRP  83  17.641  -0.316  -0.809
  484    HZ2  TRP  83           HZ2      TRP  83  15.862  -2.481  -4.909
  485    HZ3  TRP  83           HZ3      TRP  83  17.305   1.012  -2.883
  486    HH2  TRP  83           HH2      TRP  83  16.429  -0.072  -4.928
  487    H    ILE  84           H        ILE  84  17.958  -6.770   0.886
  488    HA   ILE  84           HA       ILE  84  20.575  -6.512  -0.576
  489    HB   ILE  84           HB       ILE  84  19.672  -8.880   1.093
  490   1HG1  ILE  84          1HG1      ILE  84  21.634  -6.657   1.733
  491   2HG1  ILE  84          2HG1      ILE  84  20.084  -6.920   2.530
  492   1HG2  ILE  84          1HG2      ILE  84  22.413  -8.161   0.019
  493   2HG2  ILE  84          2HG2      ILE  84  21.305  -9.244  -0.825
  494   3HG2  ILE  84          3HG2      ILE  84  21.922  -9.681   0.766
  495   1HD1  ILE  84          1HD1      ILE  84  21.749  -7.903   3.946
  496   2HD1  ILE  84          2HD1      ILE  84  22.516  -8.719   2.584
  497   3HD1  ILE  84          3HD1      ILE  84  20.925  -9.239   3.141
  498    H    LYS  85           H        LYS  85  20.790  -7.737  -2.445
  499    HA   LYS  85           HA       LYS  85  18.263  -8.956  -3.504
  500   1HB   LYS  85          1HB       LYS  85  20.544  -7.444  -4.754
  501   2HB   LYS  85          2HB       LYS  85  19.673  -8.617  -5.739
  502   1HG   LYS  85          1HG       LYS  85  17.568  -7.494  -5.269
  503   2HG   LYS  85          2HG       LYS  85  18.391  -6.370  -4.191
  504   1HD   LYS  85          1HD       LYS  85  19.506  -5.278  -5.948
  505   2HD   LYS  85          2HD       LYS  85  19.263  -6.626  -7.056
  506   1HE   LYS  85          1HE       LYS  85  17.743  -4.920  -7.747
  507   2HE   LYS  85          2HE       LYS  85  16.761  -6.119  -6.915
  508   1HZ   LYS  85          1HZ       LYS  85  17.651  -4.409  -4.961
  509   2HZ   LYS  85          2HZ       LYS  85  16.086  -4.478  -5.618
  510   3HZ   LYS  85          3HZ       LYS  85  17.233  -3.398  -6.257
  511    H    GLY  86           H        GLY  86  18.482 -10.881  -4.797
  512   1HA   GLY  86          1HA       GLY  86  20.647 -12.652  -3.779
  513   2HA   GLY  86          2HA       GLY  86  19.127 -13.189  -4.487
  514    H    ALA  87           H        ALA  87  20.811 -14.559  -5.645
  515    HA   ALA  87           HA       ALA  87  22.508 -13.408  -7.652
  516   1HB   ALA  87          1HB       ALA  87  23.013 -15.623  -6.945
  517   2HB   ALA  87          2HB       ALA  87  22.413 -15.797  -8.595
  518   3HB   ALA  87          3HB       ALA  87  21.362 -16.174  -7.229
  519    H    GLN  88           H        GLN  88  19.134 -13.540  -7.540
  520    HA   GLN  88           HA       GLN  88  18.977 -13.310 -10.534
  521   1HB   GLN  88          1HB       GLN  88  16.794 -14.485  -8.807
  522   2HB   GLN  88          2HB       GLN  88  16.951 -14.551 -10.563
  523   1HG   GLN  88          1HG       GLN  88  19.173 -15.803 -10.130
  524   2HG   GLN  88          2HG       GLN  88  18.587 -16.007  -8.480
  525   1HE2  GLN  88          1HE2      GLN  88  18.952 -18.324  -9.971
  526   2HE2  GLN  88          2HE2      GLN  88  17.451 -18.975 -10.412
  527    H    GLY  89           H        GLY  89  19.193 -11.202  -8.445
  528   1HA   GLY  89          1HA       GLY  89  18.285  -9.042  -8.256
  529   2HA   GLY  89          2HA       GLY  89  17.101  -9.487  -9.474
  530    H    GLY  90           H        GLY  90  16.559 -11.890  -7.471
  531   1HA   GLY  90          1HA       GLY  90  14.140 -11.017  -6.434
  532   2HA   GLY  90          2HA       GLY  90  15.086 -12.301  -5.697
  533    H    ASP  91           H        ASP  91  13.886  -9.203  -5.265
  534    HA   ASP  91           HA       ASP  91  15.931  -8.231  -3.433
  535   1HB   ASP  91          1HB       ASP  91  13.174  -7.307  -4.237
  536   2HB   ASP  91          2HB       ASP  91  13.965  -6.596  -2.840
  537    H    TYR  92           H        TYR  92  16.009  -8.554  -1.271
  538    HA   TYR  92           HA       TYR  92  13.699  -9.913   0.083
  539   1HB   TYR  92          1HB       TYR  92  16.659 -10.520   0.412
  540   2HB   TYR  92          2HB       TYR  92  15.354 -11.259   1.342
  541    HD1  TYR  92           HD1      TYR  92  13.687 -12.739   0.212
  542    HD2  TYR  92           HD2      TYR  92  17.105 -11.187  -1.877
  543    HE1  TYR  92           HE1      TYR  92  13.348 -14.408  -1.584
  544    HE2  TYR  92           HE2      TYR  92  16.764 -12.855  -3.669
  545    HH   TYR  92           HH       TYR  92  15.456 -15.398  -3.592
  546    H    PHE  93           H        PHE  93  13.106  -8.869   1.953
  547    HA   PHE  93           HA       PHE  93  14.865  -6.660   2.913
  548   1HB   PHE  93          1HB       PHE  93  11.902  -7.136   3.368
  549   2HB   PHE  93          2HB       PHE  93  12.815  -5.712   3.841
  550    HD1  PHE  93           HD1      PHE  93  13.948  -4.306   2.015
  551    HD2  PHE  93           HD2      PHE  93  11.025  -7.343   1.165
  552    HE1  PHE  93           HE1      PHE  93  13.606  -3.355  -0.244
  553    HE2  PHE  93           HE2      PHE  93  10.687  -6.383  -1.092
  554    HZ   PHE  93           HZ       PHE  93  11.977  -4.390  -1.797
  555    H    TYR  94           H        TYR  94  15.962  -7.044   4.716
  556    HA   TYR  94           HA       TYR  94  14.970  -9.100   6.657
  557   1HB   TYR  94          1HB       TYR  94  17.658  -8.200   5.709
  558   2HB   TYR  94          2HB       TYR  94  17.548  -8.579   7.425
  559    HD1  TYR  94           HD1      TYR  94  17.230  -9.925   4.008
  560    HD2  TYR  94           HD2      TYR  94  17.119 -10.816   8.208
  561    HE1  TYR  94           HE1      TYR  94  17.333 -12.345   3.495
  562    HE2  TYR  94           HE2      TYR  94  17.219 -13.240   7.687
  563    HH   TYR  94           HH       TYR  94  17.430 -14.398   4.321
  564    H    SER  95           H        SER  95  14.691  -8.498   8.802
  565    HA   SER  95           HA       SER  95  15.264  -5.649   9.543
  566   1HB   SER  95          1HB       SER  95  12.734  -6.494   9.008
  567   2HB   SER  95          2HB       SER  95  12.822  -6.874  10.723
  568    HG   SER  95           HG       SER  95  13.186  -4.796  11.196
  569    H    PHE  96           H        PHE  96  16.151  -5.416  11.532
  570    HA   PHE  96           HA       PHE  96  16.092  -7.699  13.457
  571   1HB   PHE  96          1HB       PHE  96  18.528  -6.206  12.457
  572   2HB   PHE  96          2HB       PHE  96  18.504  -7.140  13.952
  573    HD1  PHE  96           HD1      PHE  96  17.697  -9.598  13.793
  574    HD2  PHE  96           HD2      PHE  96  18.943  -7.292  10.414
  575    HE1  PHE  96           HE1      PHE  96  18.117 -11.689  12.528
  576    HE2  PHE  96           HE2      PHE  96  19.377  -9.368   9.146
  577    HZ   PHE  96           HZ       PHE  96  18.960 -11.573  10.198
  578    H    GLY  97           H        GLY  97  14.643  -6.395  14.677
  579   1HA   GLY  97          1HA       GLY  97  15.091  -5.017  16.829
  580   2HA   GLY  97          2HA       GLY  97  15.657  -3.778  15.707
  581    H    GLY  98           H        GLY  98  13.834  -2.495  16.707
  582   1HA   GLY  98          1HA       GLY  98  11.608  -1.700  16.702
  583   2HA   GLY  98          2HA       GLY  98  11.684  -2.123  14.995
  584    H    CYS  99           H        CYS  99  12.141  -4.792  17.104
  585    HA   CYS  99           HA       CYS  99  10.035  -6.324  16.110
  586   1HB   CYS  99          1HB       CYS  99  10.919  -6.521  18.992
  587   2HB   CYS  99          2HB       CYS  99  10.420  -7.819  17.908
  588    HG   CYS  99           HG       CYS  99  13.229  -6.701  18.119
  589    H    HIS 100           H        HIS 100   9.986  -4.401  19.136
  590    HA   HIS 100           HA       HIS 100   7.257  -4.920  19.753
  591   1HB   HIS 100          1HB       HIS 100   9.176  -2.709  20.470
  592   2HB   HIS 100          2HB       HIS 100   7.485  -2.597  20.957
  593    HD1  HIS 100           HD1      HIS 100  10.473  -4.931  21.326
  594    HD2  HIS 100           HD2      HIS 100   6.824  -4.132  23.179
  595    HE1  HIS 100           HE1      HIS 100  10.417  -6.335  23.439
  596    H    ARG 101           H        ARG 101   8.731  -2.480  17.644
  597    HA   ARG 101           HA       ARG 101   6.272  -1.037  17.207
  598   1HB   ARG 101          1HB       ARG 101   8.863  -1.187  15.644
  599   2HB   ARG 101          2HB       ARG 101   7.498  -0.203  15.117
  600   1HG   ARG 101          1HG       ARG 101   7.517   0.934  17.344
  601   2HG   ARG 101          2HG       ARG 101   8.948   0.001  17.774
  602   1HD   ARG 101          1HD       ARG 101   8.918   1.657  15.255
  603   2HD   ARG 101          2HD       ARG 101   9.259   2.408  16.813
  604    HE   ARG 101           HE       ARG 101  10.862   0.015  16.248
  605   1HH1  ARG 101          1HH1      ARG 101  10.511   3.440  16.027
  606   2HH1  ARG 101          2HH1      ARG 101  12.213   3.739  15.912
  607   1HH2  ARG 101          1HH2      ARG 101  13.086   0.390  16.100
  608   2HH2  ARG 101          2HH2      ARG 101  13.670   2.014  15.953
  609    H    TYR 102           H        TYR 102   7.654  -3.941  15.793
  610    HA   TYR 102           HA       TYR 102   5.945  -4.017  13.468
  611   1HB   TYR 102          1HB       TYR 102   7.898  -5.401  13.436
  612   2HB   TYR 102          2HB       TYR 102   7.498  -6.131  14.985
  613    HD1  TYR 102           HD1      TYR 102   5.673  -7.745  15.194
  614    HD2  TYR 102           HD2      TYR 102   6.839  -6.177  11.372
  615    HE1  TYR 102           HE1      TYR 102   4.433  -9.570  14.073
  616    HE2  TYR 102           HE2      TYR 102   5.604  -8.011  10.247
  617    HH   TYR 102           HH       TYR 102   4.886 -10.483  11.006
  618    H    ALA 103           H        ALA 103   5.697  -5.382  16.749
  619    HA   ALA 103           HA       ALA 103   3.279  -6.827  16.405
  620   1HB   ALA 103          1HB       ALA 103   4.474  -5.426  18.803
  621   2HB   ALA 103          2HB       ALA 103   4.481  -7.152  18.441
  622   3HB   ALA 103          3HB       ALA 103   2.977  -6.354  18.905
  623    H    ALA 104           H        ALA 104   3.775  -3.429  17.403
  624    HA   ALA 104           HA       ALA 104   1.050  -2.780  17.784
  625   1HB   ALA 104          1HB       ALA 104   1.822  -0.413  17.121
  626   2HB   ALA 104          2HB       ALA 104   3.421  -1.126  16.906
  627   3HB   ALA 104          3HB       ALA 104   2.643  -1.164  18.489
  628    H    TYR 105           H        TYR 105   3.021  -2.573  14.810
  629    HA   TYR 105           HA       TYR 105   0.852  -1.632  13.170
  630   1HB   TYR 105          1HB       TYR 105   3.611  -2.709  12.756
  631   2HB   TYR 105          2HB       TYR 105   2.524  -2.807  11.380
  632    HD1  TYR 105           HD1      TYR 105   4.371  -0.564  13.617
  633    HD2  TYR 105           HD2      TYR 105   1.596  -0.773  10.347
  634    HE1  TYR 105           HE1      TYR 105   4.756   1.838  13.138
  635    HE2  TYR 105           HE2      TYR 105   1.979   1.630   9.867
  636    HH   TYR 105           HH       TYR 105   2.820   3.573  10.777
  637    H    GLN 106           H        GLN 106   2.103  -4.863  13.965
  638    HA   GLN 106           HA       GLN 106   0.448  -6.284  12.110
  639   1HB   GLN 106          1HB       GLN 106   2.510  -7.161  13.317
  640   2HB   GLN 106          2HB       GLN 106   1.495  -7.323  14.750
  641   1HG   GLN 106          1HG       GLN 106  -0.111  -8.642  13.180
  642   2HG   GLN 106          2HG       GLN 106   1.282  -8.768  12.113
  643   1HE2  GLN 106          1HE2      GLN 106   0.410  -9.423  15.596
  644   2HE2  GLN 106          2HE2      GLN 106   1.450 -10.755  15.728
  645    H    GLN 107           H        GLN 107  -0.019  -5.129  15.411
  646    HA   GLN 107           HA       GLN 107  -2.461  -6.609  15.876
  647   1HB   GLN 107          1HB       GLN 107  -1.098  -5.756  17.734
  648   2HB   GLN 107          2HB       GLN 107  -1.390  -4.100  17.204
  649   1HG   GLN 107          1HG       GLN 107  -3.652  -4.154  17.827
  650   2HG   GLN 107          2HG       GLN 107  -3.725  -5.913  17.781
  651   1HE2  GLN 107          1HE2      GLN 107  -4.450  -6.159  19.985
  652   2HE2  GLN 107          2HE2      GLN 107  -3.461  -5.781  21.311
  653    H    LEU 108           H        LEU 108  -1.736  -3.343  14.675
  654    HA   LEU 108           HA       LEU 108  -4.543  -2.578  14.556
  655   1HB   LEU 108          1HB       LEU 108  -2.045  -1.375  13.341
  656   2HB   LEU 108          2HB       LEU 108  -3.641  -0.642  13.208
  657    HG   LEU 108           HG       LEU 108  -2.277  -1.317  15.836
  658   1HD1  LEU 108          1HD1      LEU 108  -1.211   0.528  14.379
  659   2HD1  LEU 108          2HD1      LEU 108  -1.642   0.959  16.033
  660   3HD1  LEU 108          3HD1      LEU 108  -2.680   1.451  14.694
  661   1HD2  LEU 108          1HD2      LEU 108  -4.932  -0.139  15.079
  662   2HD2  LEU 108          2HD2      LEU 108  -4.126   0.507  16.505
  663   3HD2  LEU 108          3HD2      LEU 108  -4.514  -1.206  16.419
  664    H    GLN 109           H        GLN 109  -3.089  -4.915  12.922
  665    HA   GLN 109           HA       GLN 109  -3.310  -5.860  10.782
  666   1HB   GLN 109          1HB       GLN 109  -5.679  -5.794  11.938
  667   2HB   GLN 109          2HB       GLN 109  -6.050  -4.606  10.692
  668   1HG   GLN 109          1HG       GLN 109  -4.975  -7.399  10.178
  669   2HG   GLN 109          2HG       GLN 109  -6.657  -6.909   9.985
  670   1HE2  GLN 109          1HE2      GLN 109  -7.144  -5.335   8.240
  671   2HE2  GLN 109          2HE2      GLN 109  -6.068  -5.138   6.942
  672    H    ARG 110           H        ARG 110  -1.780  -3.810  10.272
  673    HA   ARG 110           HA       ARG 110  -3.080  -1.960   8.347
  674   1HB   ARG 110          1HB       ARG 110  -0.226  -2.147   9.352
  675   2HB   ARG 110          2HB       ARG 110  -0.836  -0.893   8.279
  676   1HG   ARG 110          1HG       ARG 110  -2.005  -1.466  11.016
  677   2HG   ARG 110          2HG       ARG 110  -0.759  -0.254  10.738
  678   1HD   ARG 110          1HD       ARG 110  -2.433   0.647   8.911
  679   2HD   ARG 110          2HD       ARG 110  -3.629  -0.261   9.835
  680    HE   ARG 110           HE       ARG 110  -1.973   1.472  11.497
  681   1HH1  ARG 110          1HH1      ARG 110  -4.738   1.175   9.460
  682   2HH1  ARG 110          2HH1      ARG 110  -5.580   2.504  10.185
  683   1HH2  ARG 110          1HH2      ARG 110  -3.057   3.209  12.456
  684   2HH2  ARG 110          2HH2      ARG 110  -4.628   3.655  11.881
  685    H    GLU 111           H        GLU 111  -2.079  -1.746   6.178
  686    HA   GLU 111           HA       GLU 111  -1.579  -4.401   5.033
  687   1HB   GLU 111          1HB       GLU 111  -1.892  -1.632   3.861
  688   2HB   GLU 111          2HB       GLU 111  -1.392  -3.002   2.870
  689   1HG   GLU 111          1HG       GLU 111  -3.823  -2.739   2.750
  690   2HG   GLU 111          2HG       GLU 111  -3.431  -4.232   3.602
  691    H    THR 112           H        THR 112   0.284  -1.359   5.432
  692    HA   THR 112           HA       THR 112   2.786  -2.970   4.996
  693    HB   THR 112           HB       THR 112   3.716  -0.955   3.809
  694    HG1  THR 112           HG1      THR 112   0.994  -0.179   3.930
  695   1HG2  THR 112          1HG2      THR 112   1.695  -1.338   1.897
  696   2HG2  THR 112          2HG2      THR 112   1.738  -2.854   2.792
  697   3HG2  THR 112          3HG2      THR 112   3.199  -2.241   2.017
  698    H    ILE 113           H        ILE 113   4.730  -1.455   5.646
  699    HA   ILE 113           HA       ILE 113   4.007   0.212   8.014
  700    HB   ILE 113           HB       ILE 113   4.625  -2.113   8.757
  701   1HG1  ILE 113          1HG1      ILE 113   6.589   0.047   9.569
  702   2HG1  ILE 113          2HG1      ILE 113   4.924  -0.027  10.146
  703   1HG2  ILE 113          1HG2      ILE 113   7.436  -1.342   7.941
  704   2HG2  ILE 113          2HG2      ILE 113   6.406  -2.315   6.895
  705   3HG2  ILE 113          3HG2      ILE 113   6.855  -2.912   8.493
  706   1HD1  ILE 113          1HD1      ILE 113   6.197  -1.115  11.833
  707   2HD1  ILE 113          2HD1      ILE 113   7.183  -1.973  10.650
  708   3HD1  ILE 113          3HD1      ILE 113   5.499  -2.436  10.896
  709    HA   PRO 114           HA       PRO 114   7.160   2.765   6.040
  710   1HB   PRO 114          1HB       PRO 114   7.597   4.176   8.610
  711   2HB   PRO 114          2HB       PRO 114   6.968   4.811   7.080
  712   1HG   PRO 114          1HG       PRO 114   5.415   4.463   9.266
  713   2HG   PRO 114          2HG       PRO 114   4.793   4.288   7.617
  714   1HD   PRO 114          1HD       PRO 114   5.579   2.146   9.582
  715   2HD   PRO 114          2HD       PRO 114   4.194   2.215   8.479
  716    H    ALA 115           H        ALA 115   9.308   2.290   5.760
  717    HA   ALA 115           HA       ALA 115  11.008   1.651   8.094
  718   1HB   ALA 115          1HB       ALA 115   9.966  -0.514   7.346
  719   2HB   ALA 115          2HB       ALA 115  11.726  -0.493   7.227
  720   3HB   ALA 115          3HB       ALA 115  10.742  -0.287   5.778
  721    H    LYS 116           H        LYS 116  12.970   2.525   7.797
  722    HA   LYS 116           HA       LYS 116  13.652   3.906   5.351
  723   1HB   LYS 116          1HB       LYS 116  14.983   3.380   7.999
  724   2HB   LYS 116          2HB       LYS 116  15.979   3.949   6.670
  725   1HG   LYS 116          1HG       LYS 116  14.720   5.960   6.449
  726   2HG   LYS 116          2HG       LYS 116  13.408   5.334   7.444
  727   1HD   LYS 116          1HD       LYS 116  14.738   6.899   8.765
  728   2HD   LYS 116          2HD       LYS 116  14.974   5.268   9.392
  729   1HE   LYS 116          1HE       LYS 116  17.117   5.075   8.383
  730   2HE   LYS 116          2HE       LYS 116  16.835   6.462   7.331
  731   1HZ   LYS 116          1HZ       LYS 116  16.596   7.736   9.533
  732   2HZ   LYS 116          2HZ       LYS 116  18.154   7.328   8.994
  733   3HZ   LYS 116          3HZ       LYS 116  17.410   6.417  10.220
  734    H    LEU 117           H        LEU 117  14.369   2.852   3.533
  735    HA   LEU 117           HA       LEU 117  15.535   0.150   3.777
  736   1HB   LEU 117          1HB       LEU 117  15.226   1.865   1.294
  737   2HB   LEU 117          2HB       LEU 117  15.573   0.141   1.341
  738    HG   LEU 117           HG       LEU 117  13.014   1.504   2.239
  739   1HD1  LEU 117          1HD1      LEU 117  13.773  -0.322  -0.051
  740   2HD1  LEU 117          2HD1      LEU 117  13.019   1.267  -0.135
  741   3HD1  LEU 117          3HD1      LEU 117  12.099  -0.119   0.460
  742   1HD2  LEU 117          1HD2      LEU 117  13.242  -0.264   3.784
  743   2HD2  LEU 117          2HD2      LEU 117  14.023  -1.317   2.603
  744   3HD2  LEU 117          3HD2      LEU 117  12.295  -0.989   2.488
  745    H    VAL 118           H        VAL 118  17.672  -0.352   3.569
  746    HA   VAL 118           HA       VAL 118  19.596   1.797   2.791
  747    HB   VAL 118           HB       VAL 118  19.883  -0.004   5.219
  748   1HG1  VAL 118          1HG1      VAL 118  21.613   2.240   4.130
  749   2HG1  VAL 118          2HG1      VAL 118  22.030   0.527   4.158
  750   3HG1  VAL 118          3HG1      VAL 118  21.872   1.420   5.670
  751   1HG2  VAL 118          1HG2      VAL 118  18.193   1.792   5.517
  752   2HG2  VAL 118          2HG2      VAL 118  19.401   2.986   5.043
  753   3HG2  VAL 118          3HG2      VAL 118  19.616   2.055   6.525
  754    H    GLN 119           H        GLN 119  20.564   0.927   1.013
  755    HA   GLN 119           HA       GLN 119  20.604  -1.750   0.223
  756   1HB   GLN 119          1HB       GLN 119  22.708   0.391  -0.238
  757   2HB   GLN 119          2HB       GLN 119  22.686  -1.159  -1.078
  758   1HG   GLN 119          1HG       GLN 119  21.568   0.403  -2.517
  759   2HG   GLN 119          2HG       GLN 119  20.314  -0.598  -1.798
  760   1HE2  GLN 119          1HE2      GLN 119  18.595   0.946  -1.665
  761   2HE2  GLN 119          2HE2      GLN 119  18.707   2.397  -0.796
  762    H    SER 120           H        SER 120  21.860  -3.532   0.725
  763    HA   SER 120           HA       SER 120  24.182  -3.185   2.564
  764   1HB   SER 120          1HB       SER 120  21.680  -4.773   3.095
  765   2HB   SER 120          2HB       SER 120  23.205  -5.250   3.823
  766    HG   SER 120           HG       SER 120  21.860  -2.774   4.074
  767    H    THR 121           H        THR 121  25.076  -5.609   2.919
  768    HA   THR 121           HA       THR 121  25.064  -7.010   0.267
  769    HB   THR 121           HB       THR 121  27.534  -7.476   0.814
  770    HG1  THR 121           HG1      THR 121  28.471  -5.994   2.217
  771   1HG2  THR 121          1HG2      THR 121  26.483  -4.734   0.106
  772   2HG2  THR 121          2HG2      THR 121  27.039  -6.000  -0.989
  773   3HG2  THR 121          3HG2      THR 121  28.198  -5.138   0.022
  774    H    LEU 122           H        LEU 122  25.715  -9.297   0.437
  775    HA   LEU 122           HA       LEU 122  24.334 -10.675   2.476
  776   1HB   LEU 122          1HB       LEU 122  25.108 -11.655   0.260
  777   2HB   LEU 122          2HB       LEU 122  26.715 -11.787   0.967
  778    HG   LEU 122           HG       LEU 122  25.692 -13.160   2.831
  779   1HD1  LEU 122          1HD1      LEU 122  23.255 -12.726   1.120
  780   2HD1  LEU 122          2HD1      LEU 122  23.395 -12.760   2.874
  781   3HD1  LEU 122          3HD1      LEU 122  23.432 -14.262   1.963
  782   1HD2  LEU 122          1HD2      LEU 122  26.855 -14.348   1.121
  783   2HD2  LEU 122          2HD2      LEU 122  25.558 -14.082  -0.045
  784   3HD2  LEU 122          3HD2      LEU 122  25.313 -15.187   1.309
  785    H    SER 123           H        SER 123  27.721  -9.616   2.374
  786    HA   SER 123           HA       SER 123  28.733 -11.061   4.572
  787   1HB   SER 123          1HB       SER 123  30.106  -9.568   3.137
  788   2HB   SER 123          2HB       SER 123  29.312  -8.168   3.857
  789    HG   SER 123           HG       SER 123  31.383  -8.858   4.800
  790    H    ASP 124           H        ASP 124  26.935  -7.970   4.548
  791    HA   ASP 124           HA       ASP 124  26.989  -7.456   7.330
  792   1HB   ASP 124          1HB       ASP 124  26.032  -5.948   5.519
  793   2HB   ASP 124          2HB       ASP 124  24.595  -6.968   5.531
  794    H    LEU 125           H        LEU 125  24.811  -9.528   5.401
  795    HA   LEU 125           HA       LEU 125  23.132 -10.235   7.612
  796   1HB   LEU 125          1HB       LEU 125  23.018 -10.703   4.903
  797   2HB   LEU 125          2HB       LEU 125  23.470 -12.299   5.484
  798    HG   LEU 125           HG       LEU 125  21.554 -12.185   7.108
  799   1HD1  LEU 125          1HD1      LEU 125  21.247  -9.508   5.808
  800   2HD1  LEU 125          2HD1      LEU 125  20.858 -10.015   7.448
  801   3HD1  LEU 125          3HD1      LEU 125  19.764 -10.404   6.130
  802   1HD2  LEU 125          1HD2      LEU 125  21.447 -13.315   4.876
  803   2HD2  LEU 125          2HD2      LEU 125  20.754 -11.838   4.208
  804   3HD2  LEU 125          3HD2      LEU 125  19.882 -12.739   5.447
  805    H    ARG 126           H        ARG 126  26.225 -11.494   6.472
  806    HA   ARG 126           HA       ARG 126  26.223 -13.910   8.034
  807   1HB   ARG 126          1HB       ARG 126  27.856 -13.287   6.178
  808   2HB   ARG 126          2HB       ARG 126  28.631 -12.201   7.329
  809   1HG   ARG 126          1HG       ARG 126  28.761 -14.301   8.873
  810   2HG   ARG 126          2HG       ARG 126  28.463 -15.212   7.392
  811   1HD   ARG 126          1HD       ARG 126  30.405 -13.871   6.373
  812   2HD   ARG 126          2HD       ARG 126  30.790 -13.393   8.026
  813    HE   ARG 126           HE       ARG 126  30.611 -16.139   8.197
  814   1HH1  ARG 126          1HH1      ARG 126  32.253 -13.897   6.157
  815   2HH1  ARG 126          2HH1      ARG 126  33.600 -14.946   5.865
  816   1HH2  ARG 126          1HH2      ARG 126  32.360 -17.522   7.827
  817   2HH2  ARG 126          2HH2      ARG 126  33.661 -16.998   6.811
  818    H    VAL 127           H        VAL 127  27.046 -10.550   8.795
  819    HA   VAL 127           HA       VAL 127  28.292 -11.011  11.313
  820    HB   VAL 127           HB       VAL 127  26.565  -8.669  10.449
  821   1HG1  VAL 127          1HG1      VAL 127  28.582  -9.025  12.685
  822   2HG1  VAL 127          2HG1      VAL 127  26.861  -8.688  12.861
  823   3HG1  VAL 127          3HG1      VAL 127  27.934  -7.464  12.182
  824   1HG2  VAL 127          1HG2      VAL 127  28.410  -8.949   8.915
  825   2HG2  VAL 127          2HG2      VAL 127  29.534  -9.237  10.241
  826   3HG2  VAL 127          3HG2      VAL 127  28.832  -7.636  10.012
  827    H    TYR 128           H        TYR 128  24.890 -10.819  10.324
  828    HA   TYR 128           HA       TYR 128  23.979 -11.084  13.139
  829   1HB   TYR 128          1HB       TYR 128  22.426 -11.001  10.537
  830   2HB   TYR 128          2HB       TYR 128  21.706 -11.045  12.143
  831    HD1  TYR 128           HD1      TYR 128  22.163  -9.154  13.763
  832    HD2  TYR 128           HD2      TYR 128  23.226  -8.969   9.607
  833    HE1  TYR 128           HE1      TYR 128  22.341  -6.686  13.918
  834    HE2  TYR 128           HE2      TYR 128  23.404  -6.503   9.760
  835    HH   TYR 128           HH       TYR 128  22.401  -4.764  12.637
  836    H    LEU 129           H        LEU 129  23.763 -12.975  10.120
  837    HA   LEU 129           HA       LEU 129  23.091 -15.407  11.736
  838   1HB   LEU 129          1HB       LEU 129  22.471 -14.745   8.850
  839   2HB   LEU 129          2HB       LEU 129  21.991 -16.208   9.698
  840    HG   LEU 129           HG       LEU 129  21.088 -13.377  10.298
  841   1HD1  LEU 129          1HD1      LEU 129  19.883 -14.210   8.431
  842   2HD1  LEU 129          2HD1      LEU 129  18.826 -14.518   9.809
  843   3HD1  LEU 129          3HD1      LEU 129  19.775 -15.833   9.113
  844   1HD2  LEU 129          1HD2      LEU 129  19.512 -14.717  11.913
  845   2HD2  LEU 129          2HD2      LEU 129  21.150 -14.337  12.438
  846   3HD2  LEU 129          3HD2      LEU 129  20.771 -15.952  11.834
  847    H    GLY 130           H        GLY 130  25.798 -14.715  11.414
  848   1HA   GLY 130          1HA       GLY 130  27.016 -15.842   9.094
  849   2HA   GLY 130          2HA       GLY 130  27.827 -15.590  10.636
  850    H    ALA 131           H        ALA 131  24.974 -17.670  10.051
  851    HA   ALA 131           HA       ALA 131  26.616 -20.098  10.190
  852   1HB   ALA 131          1HB       ALA 131  24.853 -19.193  12.468
  853   2HB   ALA 131          2HB       ALA 131  26.512 -19.785  12.532
  854   3HB   ALA 131          3HB       ALA 131  25.190 -20.904  12.201
  855    H    SER 132           H        SER 132  23.241 -18.950  10.638
  856    HA   SER 132           HA       SER 132  22.314 -21.216   8.926
  857   1HB   SER 132          1HB       SER 132  20.847 -19.287  10.746
  858   2HB   SER 132          2HB       SER 132  20.036 -20.470   9.719
  859    HG   SER 132           HG       SER 132  21.981 -21.044  11.702
  860    H    THR 133           H        THR 133  23.707 -18.939   7.750
  861    HA   THR 133           HA       THR 133  21.740 -17.152   6.606
  862    HB   THR 133           HB       THR 133  24.286 -17.454   5.114
  863    HG1  THR 133           HG1      THR 133  24.398 -16.650   7.815
  864   1HG2  THR 133          1HG2      THR 133  23.416 -15.074   6.736
  865   2HG2  THR 133          2HG2      THR 133  22.598 -15.467   5.225
  866   3HG2  THR 133          3HG2      THR 133  24.327 -15.115   5.227
  867    HA   PRO 134           HA       PRO 134  20.708 -20.323   3.471
  868   1HB   PRO 134          1HB       PRO 134  18.563 -19.037   2.333
  869   2HB   PRO 134          2HB       PRO 134  18.465 -19.940   3.847
  870   1HG   PRO 134          1HG       PRO 134  18.622 -17.002   3.388
  871   2HG   PRO 134          2HG       PRO 134  17.735 -17.900   4.628
  872   1HD   PRO 134          1HD       PRO 134  20.169 -16.602   5.042
  873   2HD   PRO 134          2HD       PRO 134  19.547 -17.907   6.067
  874    H    ASP 135           H        ASP 135  20.105 -20.033   0.971
  875    HA   ASP 135           HA       ASP 135  22.177 -18.209  -0.182
  876   1HB   ASP 135          1HB       ASP 135  22.228 -20.745  -0.597
  877   2HB   ASP 135          2HB       ASP 135  20.786 -20.504  -1.581
  878    H    LEU 136           H        LEU 136  21.376 -16.401  -1.051
  879    HA   LEU 136           HA       LEU 136  18.528 -16.126  -1.661
  880   1HB   LEU 136          1HB       LEU 136  20.839 -14.209  -2.065
  881   2HB   LEU 136          2HB       LEU 136  19.134 -13.798  -2.240
  882    HG   LEU 136           HG       LEU 136  20.435 -14.811   0.306
  883   1HD1  LEU 136          1HD1      LEU 136  20.296 -12.554   1.103
  884   2HD1  LEU 136          2HD1      LEU 136  19.341 -12.052  -0.292
  885   3HD1  LEU 136          3HD1      LEU 136  21.044 -12.466  -0.492
  886   1HD2  LEU 136          1HD2      LEU 136  18.138 -13.834   1.177
  887   2HD2  LEU 136          2HD2      LEU 136  18.200 -15.464   0.517
  888   3HD2  LEU 136          3HD2      LEU 136  17.608 -14.129  -0.478
  889    H    GLN 137           H        GLN 137  17.588 -16.087  -3.641
  890    HA   GLN 137           HA       GLN 137  19.323 -16.317  -6.073
  891   1HB   GLN 137          1HB       GLN 137  16.691 -17.775  -5.781
  892   2HB   GLN 137          2HB       GLN 137  17.995 -18.074  -6.929
  893   1HG   GLN 137          1HG       GLN 137  18.076 -18.564  -3.939
  894   2HG   GLN 137          2HG       GLN 137  18.027 -19.795  -5.200
  895   1HE2  GLN 137          1HE2      GLN 137  20.202 -18.583  -3.102
  896   2HE2  GLN 137          2HE2      GLN 137  21.604 -18.616  -4.047
  897   1H5*  ATP   1          1H5*      ATP   1   9.525   2.289  19.826
  898   2H5*  ATP   1          2H5*      ATP   1  10.684   2.227  21.120
  899    H4*  ATP   1           H4*      ATP   1  11.094   4.382  19.013
  900    H3*  ATP   1           H3*      ATP   1  11.736   4.101  21.923
  901   *HO3  ATP   1          *HO3      ATP   1  13.133   4.609  20.201
  902    H2*  ATP   1           H2*      ATP   1  10.182   5.596  22.667
  903   *HO2  ATP   1          *HO2      ATP   1  12.111   6.833  21.317
  904    H1*  ATP   1           H1*      ATP   1   9.720   6.714  19.872
  905    H8   ATP   1           H8       ATP   1   7.604   8.212  20.265
  906    H2   ATP   1           H2       ATP   1   7.202   3.159  24.199
  907   1HN6  ATP   1          1HN6      ATP   1   3.493   5.514  24.172
  908   2HN6  ATP   1          2HN6      ATP   1   3.566   6.654  22.840
  Start of MODEL    8
    1   1H    GLY  17          1H        GLY  17   2.097  -5.034  -7.165
    2   2H    GLY  17          2H        GLY  17   3.480  -5.496  -8.038
    3   3H    GLY  17          3H        GLY  17   3.590  -4.299  -6.836
    4   1HA   GLY  17          1HA       GLY  17   4.479  -6.429  -6.069
    5   2HA   GLY  17          2HA       GLY  17   3.090  -5.897  -5.121
    6    H    ALA  18           H        ALA  18   2.349  -6.898  -8.316
    7    HA   ALA  18           HA       ALA  18   2.033  -9.723  -7.766
    8   1HB   ALA  18          1HB       ALA  18  -0.573  -9.500  -8.002
    9   2HB   ALA  18          2HB       ALA  18  -0.302  -7.851  -7.442
   10   3HB   ALA  18          3HB       ALA  18   0.170  -9.214  -6.429
   11    HA   PRO  19           HA       PRO  19   2.061 -10.164 -12.178
   12   1HB   PRO  19          1HB       PRO  19  -0.660 -11.401 -11.800
   13   2HB   PRO  19          2HB       PRO  19   0.683 -11.944 -12.826
   14   1HG   PRO  19          1HG       PRO  19   0.202 -13.060 -10.436
   15   2HG   PRO  19          2HG       PRO  19   1.850 -12.837 -11.043
   16   1HD   PRO  19          1HD       PRO  19   0.466 -11.412  -8.832
   17   2HD   PRO  19          2HD       PRO  19   2.206 -11.565  -9.152
   18    H    GLU  20           H        GLU  20   0.980  -9.310 -14.119
   19    HA   GLU  20           HA       GLU  20  -1.461  -7.734 -13.822
   20   1HB   GLU  20          1HB       GLU  20  -0.295  -5.590 -14.529
   21   2HB   GLU  20          2HB       GLU  20   0.026  -6.102 -12.873
   22   1HG   GLU  20          1HG       GLU  20   1.836  -6.901 -15.159
   23   2HG   GLU  20          2HG       GLU  20   2.057  -5.383 -14.290
   24    H    GLY  21           H        GLY  21  -2.316  -7.145 -15.871
   25   1HA   GLY  21          1HA       GLY  21  -1.571  -8.788 -18.076
   26   2HA   GLY  21          2HA       GLY  21  -2.632  -7.384 -18.184
   27    HA   PRO  22           HA       PRO  22   1.561  -6.486 -20.165
   28   1HB   PRO  22          1HB       PRO  22   0.817  -6.458 -22.783
   29   2HB   PRO  22          2HB       PRO  22   1.269  -7.955 -21.943
   30   1HG   PRO  22          1HG       PRO  22  -1.457  -6.868 -22.542
   31   2HG   PRO  22          2HG       PRO  22  -0.851  -8.525 -22.703
   32   1HD   PRO  22          1HD       PRO  22  -2.343  -7.671 -20.549
   33   2HD   PRO  22          2HD       PRO  22  -1.149  -8.982 -20.438
   34    H    GLY  23           H        GLY  23   2.053  -4.507 -21.573
   35   1HA   GLY  23          1HA       GLY  23   0.242  -2.554 -22.377
   36   2HA   GLY  23          2HA       GLY  23   0.466  -2.261 -20.652
   37    HA   PRO  24           HA       PRO  24   3.974  -0.317 -23.124
   38   1HB   PRO  24          1HB       PRO  24   3.392   2.306 -22.687
   39   2HB   PRO  24          2HB       PRO  24   2.650   1.379 -24.006
   40   1HG   PRO  24          1HG       PRO  24   1.535   2.065 -21.312
   41   2HG   PRO  24          2HG       PRO  24   0.750   2.126 -22.900
   42   1HD   PRO  24          1HD       PRO  24   0.410   0.039 -21.132
   43   2HD   PRO  24          2HD       PRO  24   0.290  -0.158 -22.894
   44    H    SER  25           H        SER  25   5.503  -0.990 -21.566
   45    HA   SER  25           HA       SER  25   6.238   0.993 -19.557
   46   1HB   SER  25          1HB       SER  25   4.459  -0.270 -18.366
   47   2HB   SER  25          2HB       SER  25   5.358  -1.762 -18.638
   48    HG   SER  25           HG       SER  25   5.726  -0.721 -16.571
   49    H    GLY  26           H        GLY  26   7.946  -0.562 -18.009
   50   1HA   GLY  26          1HA       GLY  26   9.488  -2.541 -19.223
   51   2HA   GLY  26          2HA       GLY  26  10.119  -1.025 -19.866
   52    H    GLY  27           H        GLY  27   8.963  -0.169 -16.944
   53   1HA   GLY  27          1HA       GLY  27  10.512  -1.185 -14.907
   54   2HA   GLY  27          2HA       GLY  27  11.628  -0.112 -15.751
   55    H    ALA  28           H        ALA  28   8.866   1.368 -16.392
   56    HA   ALA  28           HA       ALA  28   9.239   3.399 -14.361
   57   1HB   ALA  28          1HB       ALA  28   7.237   4.449 -15.403
   58   2HB   ALA  28          2HB       ALA  28   7.011   3.000 -16.382
   59   3HB   ALA  28          3HB       ALA  28   8.449   3.997 -16.602
   60    H    GLN  29           H        GLN  29   7.626   0.433 -14.351
   61    HA   GLN  29           HA       GLN  29   5.360   1.153 -12.692
   62   1HB   GLN  29          1HB       GLN  29   5.279  -1.334 -12.250
   63   2HB   GLN  29          2HB       GLN  29   5.248  -0.900 -13.959
   64   1HG   GLN  29          1HG       GLN  29   7.622  -1.374 -14.174
   65   2HG   GLN  29          2HG       GLN  29   7.762  -1.652 -12.439
   66   1HE2  GLN  29          1HE2      GLN  29   4.773  -2.852 -13.385
   67   2HE2  GLN  29          2HE2      GLN  29   5.205  -4.474 -13.639
   68    H    GLY  30           H        GLY  30   8.316   1.800 -11.928
   69   1HA   GLY  30          1HA       GLY  30   7.910   1.394  -9.063
   70   2HA   GLY  30          2HA       GLY  30   9.257   0.463  -9.718
   71    H    GLY  31           H        GLY  31   9.121   3.070 -11.672
   72   1HA   GLY  31          1HA       GLY  31   9.942   5.353 -10.380
   73   2HA   GLY  31          2HA       GLY  31  11.391   4.348 -10.347
   74    H    SER  32           H        SER  32  12.196   3.566 -12.474
   75    HA   SER  32           HA       SER  32  11.171   4.626 -14.946
   76   1HB   SER  32          1HB       SER  32  13.038   6.233 -15.390
   77   2HB   SER  32          2HB       SER  32  11.975   6.760 -14.086
   78    HG   SER  32           HG       SER  32  13.473   6.121 -12.603
   79    H    ILE  33           H        ILE  33  12.480   3.927 -16.760
   80    HA   ILE  33           HA       ILE  33  13.704   1.424 -16.514
   81    HB   ILE  33           HB       ILE  33  13.033   2.443 -18.677
   82   1HG1  ILE  33          1HG1      ILE  33  15.989   1.776 -18.680
   83   2HG1  ILE  33          2HG1      ILE  33  14.730   0.555 -18.490
   84   1HG2  ILE  33          1HG2      ILE  33  15.602   4.032 -18.487
   85   2HG2  ILE  33          2HG2      ILE  33  14.032   4.711 -18.055
   86   3HG2  ILE  33          3HG2      ILE  33  14.334   4.167 -19.706
   87   1HD1  ILE  33          1HD1      ILE  33  15.427   0.753 -20.854
   88   2HD1  ILE  33          2HD1      ILE  33  14.995   2.463 -20.836
   89   3HD1  ILE  33          3HD1      ILE  33  13.743   1.235 -20.647
   90    H    HIS  34           H        HIS  34  15.199   4.638 -16.293
   91    HA   HIS  34           HA       HIS  34  17.885   3.529 -15.974
   92   1HB   HIS  34          1HB       HIS  34  17.478   5.785 -16.957
   93   2HB   HIS  34          2HB       HIS  34  16.869   6.328 -15.393
   94    HD1  HIS  34           HD1      HIS  34  20.034   4.718 -16.802
   95    HD2  HIS  34           HD2      HIS  34  18.864   7.314 -13.757
   96    HE1  HIS  34           HE1      HIS  34  22.161   5.501 -15.672
   97    H    SER  35           H        SER  35  17.640   2.113 -14.153
   98    HA   SER  35           HA       SER  35  16.458   2.680 -11.682
   99   1HB   SER  35          1HB       SER  35  17.526   0.498 -12.352
  100   2HB   SER  35          2HB       SER  35  19.098   1.232 -12.037
  101    HG   SER  35           HG       SER  35  18.761   1.090  -9.969
  102    H    GLY  36           H        GLY  36  17.924   2.997  -9.584
  103   1HA   GLY  36          1HA       GLY  36  20.243   4.665  -9.756
  104   2HA   GLY  36          2HA       GLY  36  18.815   5.682  -9.560
  105    H    ARG  37           H        ARG  37  21.101   5.024  -7.681
  106    HA   ARG  37           HA       ARG  37  20.022   3.393  -5.554
  107   1HB   ARG  37          1HB       ARG  37  22.154   5.548  -5.416
  108   2HB   ARG  37          2HB       ARG  37  21.869   4.298  -4.209
  109   1HG   ARG  37          1HG       ARG  37  22.428   3.526  -7.075
  110   2HG   ARG  37          2HG       ARG  37  23.760   3.947  -6.002
  111   1HD   ARG  37          1HD       ARG  37  21.696   1.778  -5.504
  112   2HD   ARG  37          2HD       ARG  37  23.378   1.525  -5.962
  113    HE   ARG  37           HE       ARG  37  23.045   3.093  -3.512
  114   1HH1  ARG  37          1HH1      ARG  37  23.329  -0.010  -4.987
  115   2HH1  ARG  37          2HH1      ARG  37  23.923  -0.783  -3.556
  116   1HH2  ARG  37          1HH2      ARG  37  23.819   2.102  -1.635
  117   2HH2  ARG  37          2HH2      ARG  37  24.201   0.412  -1.658
  118    H    ILE  38           H        ILE  38  18.498   3.972  -4.063
  119    HA   ILE  38           HA       ILE  38  18.174   6.850  -3.359
  120    HB   ILE  38           HB       ILE  38  15.871   5.071  -4.247
  121   1HG1  ILE  38          1HG1      ILE  38  17.317   7.374  -5.578
  122   2HG1  ILE  38          2HG1      ILE  38  17.178   5.720  -6.170
  123   1HG2  ILE  38          1HG2      ILE  38  15.845   8.047  -3.654
  124   2HG2  ILE  38          2HG2      ILE  38  15.410   6.838  -2.446
  125   3HG2  ILE  38          3HG2      ILE  38  14.463   6.988  -3.921
  126   1HD1  ILE  38          1HD1      ILE  38  15.560   6.925  -7.416
  127   2HD1  ILE  38          2HD1      ILE  38  15.021   7.826  -5.999
  128   3HD1  ILE  38          3HD1      ILE  38  14.630   6.113  -6.156
  129    H    ALA  39           H        ALA  39  18.840   6.485  -1.265
  130    HA   ALA  39           HA       ALA  39  17.523   4.328   0.316
  131   1HB   ALA  39          1HB       ALA  39  19.880   4.373   0.652
  132   2HB   ALA  39          2HB       ALA  39  19.194   5.137   2.086
  133   3HB   ALA  39          3HB       ALA  39  19.900   6.129   0.810
  134    H    ALA  40           H        ALA  40  15.439   5.287   0.554
  135    HA   ALA  40           HA       ALA  40  15.355   7.546   2.506
  136   1HB   ALA  40          1HB       ALA  40  14.923   8.182  -0.007
  137   2HB   ALA  40          2HB       ALA  40  13.845   8.808   1.237
  138   3HB   ALA  40          3HB       ALA  40  13.354   7.427   0.257
  139    H    VAL  41           H        VAL  41  12.760   7.753   3.010
  140    HA   VAL  41           HA       VAL  41  12.118   5.256   4.356
  141    HB   VAL  41           HB       VAL  41  10.499   7.797   4.023
  142   1HG1  VAL  41          1HG1      VAL  41  10.136   5.414   5.857
  143   2HG1  VAL  41          2HG1      VAL  41   9.026   5.955   4.596
  144   3HG1  VAL  41          3HG1      VAL  41   9.275   6.942   6.034
  145   1HG2  VAL  41          1HG2      VAL  41  12.490   8.325   5.237
  146   2HG2  VAL  41          2HG2      VAL  41  12.419   6.813   6.142
  147   3HG2  VAL  41          3HG2      VAL  41  11.243   8.089   6.459
  148    H    HIS  42           H        HIS  42  10.479   3.806   3.828
  149    HA   HIS  42           HA       HIS  42   8.753   4.298   1.478
  150   1HB   HIS  42          1HB       HIS  42  10.985   2.282   1.596
  151   2HB   HIS  42          2HB       HIS  42   9.547   1.921   0.646
  152    HD1  HIS  42           HD1      HIS  42   9.452   2.876  -1.652
  153    HD2  HIS  42           HD2      HIS  42  12.287   4.814   0.703
  154    HE1  HIS  42           HE1      HIS  42  10.698   4.455  -3.185
  155    H    ASN  43           H        ASN  43   6.839   3.110   1.625
  156    HA   ASN  43           HA       ASN  43   6.352   1.688   4.144
  157   1HB   ASN  43          1HB       ASN  43   4.633   2.255   1.712
  158   2HB   ASN  43          2HB       ASN  43   4.058   1.349   3.111
  159   1HD2  ASN  43          1HD2      ASN  43   2.721   3.711   2.591
  160   2HD2  ASN  43          2HD2      ASN  43   3.166   4.905   3.710
  161    H    VAL  44           H        VAL  44   7.558  -0.235   4.083
  162    HA   VAL  44           HA       VAL  44   7.370  -1.958   1.693
  163    HB   VAL  44           HB       VAL  44   9.515  -1.554   3.047
  164   1HG1  VAL  44          1HG1      VAL  44   9.885  -2.815   5.020
  165   2HG1  VAL  44          2HG1      VAL  44   8.395  -3.735   4.809
  166   3HG1  VAL  44          3HG1      VAL  44   8.325  -2.033   5.263
  167   1HG2  VAL  44          1HG2      VAL  44   8.621  -4.402   2.521
  168   2HG2  VAL  44          2HG2      VAL  44  10.291  -3.861   2.673
  169   3HG2  VAL  44          3HG2      VAL  44   9.306  -3.303   1.323
  170    HA   PRO  45           HA       PRO  45   3.686  -3.995   3.377
  171   1HB   PRO  45          1HB       PRO  45   4.806  -6.335   1.881
  172   2HB   PRO  45          2HB       PRO  45   3.149  -5.710   1.905
  173   1HG   PRO  45          1HG       PRO  45   4.766  -5.236  -0.154
  174   2HG   PRO  45          2HG       PRO  45   3.644  -3.996   0.431
  175   1HD   PRO  45          1HD       PRO  45   6.616  -4.166   0.762
  176   2HD   PRO  45          2HD       PRO  45   5.574  -2.736   0.631
  177    H    LEU  46           H        LEU  46   3.260  -5.245   5.150
  178    HA   LEU  46           HA       LEU  46   5.424  -6.130   6.819
  179   1HB   LEU  46          1HB       LEU  46   2.487  -6.830   6.916
  180   2HB   LEU  46          2HB       LEU  46   3.635  -7.132   8.206
  181    HG   LEU  46           HG       LEU  46   3.447  -4.314   7.203
  182   1HD1  LEU  46          1HD1      LEU  46   1.339  -5.632   8.919
  183   2HD1  LEU  46          2HD1      LEU  46   1.109  -4.923   7.321
  184   3HD1  LEU  46          3HD1      LEU  46   1.506  -3.890   8.697
  185   1HD2  LEU  46          1HD2      LEU  46   3.653  -3.861   9.663
  186   2HD2  LEU  46          2HD2      LEU  46   5.002  -4.785   9.011
  187   3HD2  LEU  46          3HD2      LEU  46   3.737  -5.596   9.936
  188    H    SER  47           H        SER  47   3.270  -7.698   4.569
  189    HA   SER  47           HA       SER  47   3.746 -10.401   5.250
  190   1HB   SER  47          1HB       SER  47   3.106 -10.820   2.818
  191   2HB   SER  47          2HB       SER  47   1.948  -9.904   3.779
  192    HG   SER  47           HG       SER  47   3.777  -8.981   1.843
  193    H    VAL  48           H        VAL  48   5.686  -8.244   3.178
  194    HA   VAL  48           HA       VAL  48   7.436 -10.534   2.458
  195    HB   VAL  48           HB       VAL  48   8.467  -9.095   0.868
  196   1HG1  VAL  48          1HG1      VAL  48   6.034  -9.901   0.510
  197   2HG1  VAL  48          2HG1      VAL  48   6.658  -8.646  -0.559
  198   3HG1  VAL  48          3HG1      VAL  48   5.590  -8.216   0.772
  199   1HG2  VAL  48          1HG2      VAL  48   7.757  -6.655   0.735
  200   2HG2  VAL  48          2HG2      VAL  48   8.801  -7.072   2.093
  201   3HG2  VAL  48          3HG2      VAL  48   7.071  -6.858   2.345
  202    H    LEU  49           H        LEU  49   7.347  -9.094   5.248
  203    HA   LEU  49           HA       LEU  49  10.117  -8.095   5.409
  204   1HB   LEU  49          1HB       LEU  49   7.934  -8.501   7.476
  205   2HB   LEU  49          2HB       LEU  49   9.566  -8.009   7.909
  206    HG   LEU  49           HG       LEU  49   7.721  -6.493   6.034
  207   1HD1  LEU  49          1HD1      LEU  49   7.151  -6.553   8.527
  208   2HD1  LEU  49          2HD1      LEU  49   7.409  -4.949   7.840
  209   3HD1  LEU  49          3HD1      LEU  49   8.676  -5.710   8.798
  210   1HD2  LEU  49          1HD2      LEU  49   9.603  -4.691   6.649
  211   2HD2  LEU  49          2HD2      LEU  49   9.821  -5.806   5.306
  212   3HD2  LEU  49          3HD2      LEU  49  10.590  -6.138   6.859
  213    H    ILE  50           H        ILE  50  11.818  -9.295   6.096
  214    HA   ILE  50           HA       ILE  50  11.317 -12.181   6.701
  215    HB   ILE  50           HB       ILE  50  13.854 -10.762   5.851
  216   1HG1  ILE  50          1HG1      ILE  50  12.069 -12.635   4.277
  217   2HG1  ILE  50          2HG1      ILE  50  11.953 -10.879   4.170
  218   1HG2  ILE  50          1HG2      ILE  50  14.451 -12.725   7.080
  219   2HG2  ILE  50          2HG2      ILE  50  14.541 -13.180   5.379
  220   3HG2  ILE  50          3HG2      ILE  50  13.149 -13.662   6.348
  221   1HD1  ILE  50          1HD1      ILE  50  13.373 -11.534   2.377
  222   2HD1  ILE  50          2HD1      ILE  50  14.288 -12.637   3.403
  223   3HD1  ILE  50          3HD1      ILE  50  14.452 -10.894   3.613
  224    H    ARG  51           H        ARG  51  11.340 -12.657   8.815
  225    HA   ARG  51           HA       ARG  51  13.380 -11.359  10.587
  226   1HB   ARG  51          1HB       ARG  51  10.432 -11.799  11.089
  227   2HB   ARG  51          2HB       ARG  51  11.583 -11.531  12.398
  228   1HG   ARG  51          1HG       ARG  51  12.283  -9.416  11.295
  229   2HG   ARG  51          2HG       ARG  51  11.040  -9.662  10.072
  230   1HD   ARG  51          1HD       ARG  51   9.321  -9.692  11.879
  231   2HD   ARG  51          2HD       ARG  51  10.587  -9.343  13.056
  232    HE   ARG  51           HE       ARG  51   9.419  -7.433  11.173
  233   1HH1  ARG  51          1HH1      ARG  51  12.108  -8.329  13.136
  234   2HH1  ARG  51          2HH1      ARG  51  12.704  -6.710  13.291
  235   1HH2  ARG  51          1HH2      ARG  51  10.182  -5.314  11.364
  236   2HH2  ARG  51          2HH2      ARG  51  11.613  -5.003  12.289
  237    HA   PRO  52           HA       PRO  52  13.564 -15.883  11.370
  238   1HB   PRO  52          1HB       PRO  52  16.140 -16.307  10.882
  239   2HB   PRO  52          2HB       PRO  52  15.046 -15.927   9.535
  240   1HG   PRO  52          1HG       PRO  52  17.016 -14.166  10.940
  241   2HG   PRO  52          2HG       PRO  52  16.610 -14.246   9.220
  242   1HD   PRO  52          1HD       PRO  52  15.536 -12.404  11.123
  243   2HD   PRO  52          2HD       PRO  52  14.940 -12.672   9.471
  244    H    LEU  53           H        LEU  53  13.848 -13.549  13.333
  245    HA   LEU  53           HA       LEU  53  15.504 -14.991  15.359
  246   1HB   LEU  53          1HB       LEU  53  16.641 -12.977  14.097
  247   2HB   LEU  53          2HB       LEU  53  15.637 -11.985  15.145
  248    HG   LEU  53           HG       LEU  53  17.508 -14.153  16.154
  249   1HD1  LEU  53          1HD1      LEU  53  18.898 -12.155  16.874
  250   2HD1  LEU  53          2HD1      LEU  53  17.881 -11.167  15.823
  251   3HD1  LEU  53          3HD1      LEU  53  18.871 -12.459  15.135
  252   1HD2  LEU  53          1HD2      LEU  53  15.822 -13.734  17.784
  253   2HD2  LEU  53          2HD2      LEU  53  15.837 -11.999  17.467
  254   3HD2  LEU  53          3HD2      LEU  53  17.200 -12.757  18.290
  255    HA   PRO  54           HA       PRO  54  11.229 -14.059  16.981
  256   1HB   PRO  54          1HB       PRO  54  12.374 -16.004  18.969
  257   2HB   PRO  54          2HB       PRO  54  10.739 -15.929  18.283
  258   1HG   PRO  54          1HG       PRO  54  12.490 -17.722  17.409
  259   2HG   PRO  54          2HG       PRO  54  11.406 -16.894  16.277
  260   1HD   PRO  54          1HD       PRO  54  14.337 -16.449  16.762
  261   2HD   PRO  54          2HD       PRO  54  13.417 -16.322  15.247
  262    H    SER  55           H        SER  55  10.612 -13.281  19.256
  263    HA   SER  55           HA       SER  55  12.825 -12.304  20.931
  264   1HB   SER  55          1HB       SER  55  11.120 -10.478  19.241
  265   2HB   SER  55          2HB       SER  55  11.851  -9.906  20.737
  266    HG   SER  55           HG       SER  55  13.496 -11.302  18.996
  267    H    VAL  56           H        VAL  56  11.946 -11.139  22.869
  268    HA   VAL  56           HA       VAL  56   9.361 -12.361  23.702
  269    HB   VAL  56           HB       VAL  56  11.559 -10.994  25.288
  270   1HG1  VAL  56          1HG1      VAL  56   9.512 -10.586  26.450
  271   2HG1  VAL  56          2HG1      VAL  56  10.234 -11.987  27.240
  272   3HG1  VAL  56          3HG1      VAL  56   8.908 -12.205  26.099
  273   1HG2  VAL  56          1HG2      VAL  56  12.306 -13.149  24.576
  274   2HG2  VAL  56          2HG2      VAL  56  10.728 -13.875  24.884
  275   3HG2  VAL  56          3HG2      VAL  56  11.743 -13.364  26.233
  276    H    LEU  57           H        LEU  57   7.654 -11.048  23.226
  277    HA   LEU  57           HA       LEU  57   7.999  -8.105  23.277
  278   1HB   LEU  57          1HB       LEU  57   5.583  -9.748  22.518
  279   2HB   LEU  57          2HB       LEU  57   5.794  -8.025  22.252
  280    HG   LEU  57           HG       LEU  57   7.578 -10.179  21.070
  281   1HD1  LEU  57          1HD1      LEU  57   6.435  -9.379  18.916
  282   2HD1  LEU  57          2HD1      LEU  57   5.231  -8.621  19.959
  283   3HD1  LEU  57          3HD1      LEU  57   5.454 -10.371  19.995
  284   1HD2  LEU  57          1HD2      LEU  57   8.908  -8.266  21.128
  285   2HD2  LEU  57          2HD2      LEU  57   7.536  -7.170  20.970
  286   3HD2  LEU  57          3HD2      LEU  57   8.116  -8.070  19.568
  287    H    ASP  58           H        ASP  58   6.828  -6.765  24.575
  288    HA   ASP  58           HA       ASP  58   5.526  -7.995  26.965
  289   1HB   ASP  58          1HB       ASP  58   7.450  -6.717  27.588
  290   2HB   ASP  58          2HB       ASP  58   6.994  -5.379  26.552
  291    HA   PRO  59           HA       PRO  59   1.809  -6.114  25.286
  292   1HB   PRO  59          1HB       PRO  59   0.139  -6.312  27.427
  293   2HB   PRO  59          2HB       PRO  59   0.662  -7.728  26.495
  294   1HG   PRO  59          1HG       PRO  59   1.709  -6.686  29.101
  295   2HG   PRO  59          2HG       PRO  59   1.340  -8.346  28.627
  296   1HD   PRO  59          1HD       PRO  59   3.893  -7.333  28.603
  297   2HD   PRO  59          2HD       PRO  59   3.354  -8.617  27.499
  298    H    ALA  60           H        ALA  60   3.348  -4.791  28.135
  299    HA   ALA  60           HA       ALA  60   1.624  -2.458  28.326
  300   1HB   ALA  60          1HB       ALA  60   4.444  -2.690  29.392
  301   2HB   ALA  60          2HB       ALA  60   3.068  -3.448  30.193
  302   3HB   ALA  60          3HB       ALA  60   3.126  -1.695  30.012
  303    H    LYS  61           H        LYS  61   4.824  -3.096  26.882
  304    HA   LYS  61           HA       LYS  61   5.177  -0.369  26.040
  305   1HB   LYS  61          1HB       LYS  61   6.683  -2.870  26.001
  306   2HB   LYS  61          2HB       LYS  61   6.786  -2.098  24.437
  307   1HG   LYS  61          1HG       LYS  61   7.356   0.050  25.796
  308   2HG   LYS  61          2HG       LYS  61   7.691  -1.056  27.118
  309   1HD   LYS  61          1HD       LYS  61   8.997  -1.046  24.381
  310   2HD   LYS  61          2HD       LYS  61   9.761  -0.645  25.919
  311   1HE   LYS  61          1HE       LYS  61   9.130  -3.008  26.679
  312   2HE   LYS  61          2HE       LYS  61   8.760  -3.343  24.988
  313   1HZ   LYS  61          1HZ       LYS  61  10.904  -3.687  24.651
  314   2HZ   LYS  61          2HZ       LYS  61  11.270  -3.276  26.258
  315   3HZ   LYS  61          3HZ       LYS  61  11.231  -2.074  25.058
  316    H    VAL  62           H        VAL  62   3.951  -3.325  24.480
  317    HA   VAL  62           HA       VAL  62   3.745  -2.207  21.846
  318    HB   VAL  62           HB       VAL  62   2.172  -4.427  23.191
  319   1HG1  VAL  62          1HG1      VAL  62   0.809  -3.679  21.384
  320   2HG1  VAL  62          2HG1      VAL  62   1.705  -5.058  20.747
  321   3HG1  VAL  62          3HG1      VAL  62   2.206  -3.416  20.341
  322   1HG2  VAL  62          1HG2      VAL  62   4.642  -4.760  22.889
  323   2HG2  VAL  62          2HG2      VAL  62   4.422  -4.520  21.156
  324   3HG2  VAL  62          3HG2      VAL  62   3.670  -5.899  21.958
  325    H    GLN  63           H        GLN  63   1.592  -2.157  24.654
  326    HA   GLN  63           HA       GLN  63  -0.678  -1.039  23.269
  327   1HB   GLN  63          1HB       GLN  63   0.185  -1.263  26.143
  328   2HB   GLN  63          2HB       GLN  63  -1.134  -0.162  25.752
  329   1HG   GLN  63          1HG       GLN  63  -1.126  -3.028  24.783
  330   2HG   GLN  63          2HG       GLN  63  -1.774  -2.584  26.362
  331   1HE2  GLN  63          1HE2      GLN  63  -3.881  -3.397  25.279
  332   2HE2  GLN  63          2HE2      GLN  63  -4.771  -2.273  24.370
  333    H    SER  64           H        SER  64   2.139   0.374  24.896
  334    HA   SER  64           HA       SER  64   1.275   3.104  24.741
  335   1HB   SER  64          1HB       SER  64   3.237   2.157  26.090
  336   2HB   SER  64          2HB       SER  64   4.149   2.171  24.581
  337    HG   SER  64           HG       SER  64   2.771   4.448  25.514
  338    H    LEU  65           H        LEU  65   3.016   0.998  22.477
  339    HA   LEU  65           HA       LEU  65   3.488   3.129  20.558
  340   1HB   LEU  65          1HB       LEU  65   3.855   0.156  20.678
  341   2HB   LEU  65          2HB       LEU  65   3.844   0.909  19.091
  342    HG   LEU  65           HG       LEU  65   5.560   2.103  21.265
  343   1HD1  LEU  65          1HD1      LEU  65   6.296  -0.142  21.418
  344   2HD1  LEU  65          2HD1      LEU  65   7.432   0.616  20.302
  345   3HD1  LEU  65          3HD1      LEU  65   6.131  -0.402  19.683
  346   1HD2  LEU  65          1HD2      LEU  65   6.972   2.679  19.297
  347   2HD2  LEU  65          2HD2      LEU  65   5.334   3.312  19.144
  348   3HD2  LEU  65          3HD2      LEU  65   5.809   1.869  18.248
  349    H    VAL  66           H        VAL  66   1.194   0.400  20.801
  350    HA   VAL  66           HA       VAL  66  -0.229   0.860  18.404
  351    HB   VAL  66           HB       VAL  66  -1.010  -0.256  21.103
  352   1HG1  VAL  66          1HG1      VAL  66  -2.758   0.136  18.673
  353   2HG1  VAL  66          2HG1      VAL  66  -3.088   0.617  20.336
  354   3HG1  VAL  66          3HG1      VAL  66  -3.101  -1.089  19.893
  355   1HG2  VAL  66          1HG2      VAL  66  -0.619  -1.451  18.347
  356   2HG2  VAL  66          2HG2      VAL  66  -1.146  -2.358  19.763
  357   3HG2  VAL  66          3HG2      VAL  66   0.460  -1.629  19.731
  358    H    ASP  67           H        ASP  67  -0.343   2.483  21.520
  359    HA   ASP  67           HA       ASP  67  -2.721   4.047  20.914
  360   1HB   ASP  67          1HB       ASP  67  -0.589   4.105  23.050
  361   2HB   ASP  67          2HB       ASP  67  -1.749   5.420  22.917
  362    H    THR  68           H        THR  68   0.785   4.517  20.614
  363    HA   THR  68           HA       THR  68   0.662   7.318  19.983
  364    HB   THR  68           HB       THR  68   2.762   5.396  18.962
  365    HG1  THR  68           HG1      THR  68   2.047   6.016  21.524
  366   1HG2  THR  68          1HG2      THR  68   2.731   7.849  18.306
  367   2HG2  THR  68          2HG2      THR  68   4.208   7.299  19.096
  368   3HG2  THR  68          3HG2      THR  68   3.011   8.222  20.006
  369    H    ILE  69           H        ILE  69   0.950   4.428  17.903
  370    HA   ILE  69           HA       ILE  69   0.824   5.770  15.412
  371    HB   ILE  69           HB       ILE  69  -0.302   3.031  16.081
  372   1HG1  ILE  69          1HG1      ILE  69   2.501   3.954  15.381
  373   2HG1  ILE  69          2HG1      ILE  69   1.992   3.139  16.852
  374   1HG2  ILE  69          1HG2      ILE  69   0.008   2.538  13.740
  375   2HG2  ILE  69          2HG2      ILE  69   0.854   4.060  13.472
  376   3HG2  ILE  69          3HG2      ILE  69  -0.873   4.060  13.819
  377   1HD1  ILE  69          1HD1      ILE  69   1.307   1.172  15.417
  378   2HD1  ILE  69          2HD1      ILE  69   3.041   1.482  15.472
  379   3HD1  ILE  69          3HD1      ILE  69   2.103   1.974  14.064
  380    H    ARG  70           H        ARG  70  -1.773   4.566  17.520
  381    HA   ARG  70           HA       ARG  70  -3.884   5.391  15.692
  382   1HB   ARG  70          1HB       ARG  70  -3.712   4.184  18.419
  383   2HB   ARG  70          2HB       ARG  70  -5.190   5.056  18.058
  384   1HG   ARG  70          1HG       ARG  70  -5.533   3.677  16.052
  385   2HG   ARG  70          2HG       ARG  70  -4.019   2.830  16.362
  386   1HD   ARG  70          1HD       ARG  70  -4.892   1.968  18.475
  387   2HD   ARG  70          2HD       ARG  70  -6.378   2.895  18.268
  388    HE   ARG  70           HE       ARG  70  -6.185   1.306  15.976
  389   1HH1  ARG  70          1HH1      ARG  70  -6.260   0.888  19.398
  390   2HH1  ARG  70          2HH1      ARG  70  -7.031  -0.661  19.325
  391   1HH2  ARG  70          1HH2      ARG  70  -7.192  -0.714  15.861
  392   2HH2  ARG  70          2HH2      ARG  70  -7.559  -1.568  17.323
  393    H    GLU  71           H        GLU  71  -2.260   6.870  18.471
  394    HA   GLU  71           HA       GLU  71  -4.187   9.089  18.566
  395   1HB   GLU  71          1HB       GLU  71  -3.031   8.201  20.612
  396   2HB   GLU  71          2HB       GLU  71  -1.512   8.824  19.968
  397   1HG   GLU  71          1HG       GLU  71  -2.383  11.093  19.976
  398   2HG   GLU  71          2HG       GLU  71  -3.978  10.517  20.460
  399    H    ASP  72           H        ASP  72  -0.906   8.499  17.384
  400    HA   ASP  72           HA       ASP  72  -1.114  10.895  15.680
  401   1HB   ASP  72          1HB       ASP  72  -0.132  11.569  17.950
  402   2HB   ASP  72          2HB       ASP  72   1.273  10.608  17.502
  403    HA   PRO  73           HA       PRO  73   1.105   7.349  13.708
  404   1HB   PRO  73          1HB       PRO  73   0.374   7.899  11.115
  405   2HB   PRO  73          2HB       PRO  73  -0.637   6.981  12.247
  406   1HG   PRO  73          1HG       PRO  73  -0.811   9.856  11.451
  407   2HG   PRO  73          2HG       PRO  73  -2.108   8.679  11.703
  408   1HD   PRO  73          1HD       PRO  73  -1.444  10.561  13.558
  409   2HD   PRO  73          2HD       PRO  73  -2.107   8.977  14.010
  410    H    ASP  74           H        ASP  74   1.336  10.785  13.079
  411    HA   ASP  74           HA       ASP  74   3.725  10.508  11.387
  412   1HB   ASP  74          1HB       ASP  74   2.115  12.355  11.024
  413   2HB   ASP  74          2HB       ASP  74   2.483  12.979  12.632
  414    H    SER  75           H        SER  75   3.024  10.929  14.788
  415    HA   SER  75           HA       SER  75   5.695  11.947  15.439
  416   1HB   SER  75          1HB       SER  75   3.637  12.435  16.819
  417   2HB   SER  75          2HB       SER  75   3.640  10.742  17.318
  418    HG   SER  75           HG       SER  75   6.093  11.699  17.612
  419    H    VAL  76           H        VAL  76   5.113   9.190  14.084
  420    HA   VAL  76           HA       VAL  76   6.735   7.522  15.974
  421    HB   VAL  76           HB       VAL  76   5.001   6.399  13.772
  422   1HG1  VAL  76          1HG1      VAL  76   5.060   4.407  15.056
  423   2HG1  VAL  76          2HG1      VAL  76   5.588   5.251  16.510
  424   3HG1  VAL  76          3HG1      VAL  76   6.704   5.033  15.160
  425   1HG2  VAL  76          1HG2      VAL  76   3.244   6.151  15.617
  426   2HG2  VAL  76          2HG2      VAL  76   3.444   7.768  14.946
  427   3HG2  VAL  76          3HG2      VAL  76   4.156   7.367  16.508
  428    HA   PRO  77           HA       PRO  77   9.480   8.092  12.386
  429   1HB   PRO  77          1HB       PRO  77  11.810   7.205  13.532
  430   2HB   PRO  77          2HB       PRO  77  11.138   8.820  13.805
  431   1HG   PRO  77          1HG       PRO  77  11.063   6.398  15.544
  432   2HG   PRO  77          2HG       PRO  77  11.209   8.104  15.995
  433   1HD   PRO  77          1HD       PRO  77   8.847   6.611  16.124
  434   2HD   PRO  77          2HD       PRO  77   8.915   8.385  16.072
  435    HA   PRO  78           HA       PRO  78   9.716   3.995  10.663
  436   1HB   PRO  78          1HB       PRO  78  11.694   4.255   8.820
  437   2HB   PRO  78          2HB       PRO  78  10.140   5.090   8.659
  438   1HG   PRO  78          1HG       PRO  78  12.765   6.139   9.642
  439   2HG   PRO  78          2HG       PRO  78  11.596   6.895   8.550
  440   1HD   PRO  78          1HD       PRO  78  11.773   7.498  11.233
  441   2HD   PRO  78          2HD       PRO  78  10.277   7.664  10.299
  442    H    ILE  79           H        ILE  79  11.320   2.171  10.168
  443    HA   ILE  79           HA       ILE  79  13.436   2.071  12.300
  444    HB   ILE  79           HB       ILE  79  13.121  -0.468  11.985
  445   1HG1  ILE  79          1HG1      ILE  79  10.395   0.308  10.930
  446   2HG1  ILE  79          2HG1      ILE  79  11.731   0.042   9.809
  447   1HG2  ILE  79          1HG2      ILE  79  10.937  -0.380  13.360
  448   2HG2  ILE  79          2HG2      ILE  79  11.047   1.370  13.186
  449   3HG2  ILE  79          3HG2      ILE  79  12.332   0.484  14.007
  450   1HD1  ILE  79          1HD1      ILE  79  12.084  -2.204  10.796
  451   2HD1  ILE  79          2HD1      ILE  79  10.466  -2.030  10.118
  452   3HD1  ILE  79          3HD1      ILE  79  10.705  -1.936  11.863
  453    H    ASP  80           H        ASP  80  15.302   0.616  11.716
  454    HA   ASP  80           HA       ASP  80  16.225   1.258   8.993
  455   1HB   ASP  80          1HB       ASP  80  17.487   0.178  11.512
  456   2HB   ASP  80          2HB       ASP  80  18.329   0.047   9.975
  457    H    VAL  81           H        VAL  81  16.362  -0.254   7.372
  458    HA   VAL  81           HA       VAL  81  16.031  -3.144   8.057
  459    HB   VAL  81           HB       VAL  81  14.334  -1.469   6.195
  460   1HG1  VAL  81          1HG1      VAL  81  14.984  -3.292   4.775
  461   2HG1  VAL  81          2HG1      VAL  81  13.385  -3.689   5.402
  462   3HG1  VAL  81          3HG1      VAL  81  14.814  -4.456   6.088
  463   1HG2  VAL  81          1HG2      VAL  81  12.523  -2.738   7.360
  464   2HG2  VAL  81          2HG2      VAL  81  13.514  -1.791   8.470
  465   3HG2  VAL  81          3HG2      VAL  81  13.754  -3.534   8.341
  466    H    LEU  82           H        LEU  82  17.285  -4.473   6.818
  467    HA   LEU  82           HA       LEU  82  19.204  -3.179   4.987
  468   1HB   LEU  82          1HB       LEU  82  19.006  -6.099   5.766
  469   2HB   LEU  82          2HB       LEU  82  20.386  -5.295   5.030
  470    HG   LEU  82           HG       LEU  82  19.269  -4.434   7.713
  471   1HD1  LEU  82          1HD1      LEU  82  20.960  -5.810   8.783
  472   2HD1  LEU  82          2HD1      LEU  82  21.551  -6.362   7.215
  473   3HD1  LEU  82          3HD1      LEU  82  19.946  -6.839   7.770
  474   1HD2  LEU  82          1HD2      LEU  82  21.888  -4.012   6.250
  475   2HD2  LEU  82          2HD2      LEU  82  21.657  -3.618   7.952
  476   3HD2  LEU  82          3HD2      LEU  82  20.713  -2.784   6.722
  477    H    TRP  83           H        TRP  83  19.201  -3.409   2.810
  478    HA   TRP  83           HA       TRP  83  17.034  -5.060   1.552
  479   1HB   TRP  83          1HB       TRP  83  16.663  -2.687   1.272
  480   2HB   TRP  83          2HB       TRP  83  18.321  -2.433   0.795
  481    HD1  TRP  83           HD1      TRP  83  16.511  -5.407  -0.753
  482    HE1  TRP  83           HE1      TRP  83  16.063  -4.885  -3.246
  483    HE3  TRP  83           HE3      TRP  83  17.862  -0.482  -0.876
  484    HZ2  TRP  83           HZ2      TRP  83  16.251  -2.655  -5.041
  485    HZ3  TRP  83           HZ3      TRP  83  17.722   0.811  -2.981
  486    HH2  TRP  83           HH2      TRP  83  16.928  -0.269  -5.062
  487    H    ILE  84           H        ILE  84  18.054  -6.901   0.827
  488    HA   ILE  84           HA       ILE  84  20.645  -6.585  -0.670
  489    HB   ILE  84           HB       ILE  84  19.807  -8.954   1.028
  490   1HG1  ILE  84          1HG1      ILE  84  21.744  -6.697   1.625
  491   2HG1  ILE  84          2HG1      ILE  84  20.199  -6.961   2.429
  492   1HG2  ILE  84          1HG2      ILE  84  22.086  -9.706   0.704
  493   2HG2  ILE  84          2HG2      ILE  84  22.513  -8.205  -0.116
  494   3HG2  ILE  84          3HG2      ILE  84  21.414  -9.350  -0.885
  495   1HD1  ILE  84          1HD1      ILE  84  21.892  -7.899   3.851
  496   2HD1  ILE  84          2HD1      ILE  84  22.635  -8.753   2.499
  497   3HD1  ILE  84          3HD1      ILE  84  21.051  -9.252   3.093
  498    H    LYS  85           H        LYS  85  20.903  -7.892  -2.501
  499    HA   LYS  85           HA       LYS  85  18.384  -9.119  -3.564
  500   1HB   LYS  85          1HB       LYS  85  20.695  -7.655  -4.807
  501   2HB   LYS  85          2HB       LYS  85  19.843  -8.850  -5.783
  502   1HG   LYS  85          1HG       LYS  85  17.727  -7.708  -5.376
  503   2HG   LYS  85          2HG       LYS  85  18.547  -6.552  -4.328
  504   1HD   LYS  85          1HD       LYS  85  19.658  -5.507  -6.103
  505   2HD   LYS  85          2HD       LYS  85  19.497  -6.909  -7.154
  506   1HE   LYS  85          1HE       LYS  85  17.977  -5.032  -7.796
  507   2HE   LYS  85          2HE       LYS  85  17.112  -6.515  -7.408
  508   1HZ   LYS  85          1HZ       LYS  85  16.053  -4.690  -6.317
  509   2HZ   LYS  85          2HZ       LYS  85  17.522  -4.174  -5.635
  510   3HZ   LYS  85          3HZ       LYS  85  16.820  -5.637  -5.137
  511    H    GLY  86           H        GLY  86  18.601 -11.061  -4.822
  512   1HA   GLY  86          1HA       GLY  86  20.746 -12.841  -3.774
  513   2HA   GLY  86          2HA       GLY  86  19.220 -13.374  -4.478
  514    H    ALA  87           H        ALA  87  20.715 -14.781  -5.736
  515    HA   ALA  87           HA       ALA  87  22.501 -13.647  -7.694
  516   1HB   ALA  87          1HB       ALA  87  22.960 -15.881  -7.098
  517   2HB   ALA  87          2HB       ALA  87  22.250 -16.028  -8.706
  518   3HB   ALA  87          3HB       ALA  87  21.276 -16.372  -7.275
  519    H    GLN  88           H        GLN  88  19.111 -13.667  -7.595
  520    HA   GLN  88           HA       GLN  88  18.993 -13.265 -10.570
  521   1HB   GLN  88          1HB       GLN  88  16.790 -14.560  -8.951
  522   2HB   GLN  88          2HB       GLN  88  16.945 -14.479 -10.708
  523   1HG   GLN  88          1HG       GLN  88  19.148 -15.771 -10.409
  524   2HG   GLN  88          2HG       GLN  88  18.604 -16.092  -8.761
  525   1HE2  GLN  88          1HE2      GLN  88  18.723 -18.431  -9.822
  526   2HE2  GLN  88          2HE2      GLN  88  17.284 -18.982 -10.526
  527    H    GLY  89           H        GLY  89  19.275 -11.183  -8.635
  528   1HA   GLY  89          1HA       GLY  89  18.362  -9.074  -8.231
  529   2HA   GLY  89          2HA       GLY  89  17.173  -9.445  -9.464
  530    H    GLY  90           H        GLY  90  16.626 -11.918  -7.496
  531   1HA   GLY  90          1HA       GLY  90  14.202 -11.065  -6.456
  532   2HA   GLY  90          2HA       GLY  90  15.156 -12.350  -5.725
  533    H    ASP  91           H        ASP  91  13.964  -9.233  -5.307
  534    HA   ASP  91           HA       ASP  91  15.992  -8.247  -3.477
  535   1HB   ASP  91          1HB       ASP  91  13.174  -7.373  -4.136
  536   2HB   ASP  91          2HB       ASP  91  14.144  -6.575  -2.909
  537    H    TYR  92           H        TYR  92  16.128  -8.656  -1.333
  538    HA   TYR  92           HA       TYR  92  13.802  -9.954   0.056
  539   1HB   TYR  92          1HB       TYR  92  16.757 -10.589   0.380
  540   2HB   TYR  92          2HB       TYR  92  15.446 -11.311   1.314
  541    HD1  TYR  92           HD1      TYR  92  13.780 -12.802   0.202
  542    HD2  TYR  92           HD2      TYR  92  17.181 -11.251  -1.912
  543    HE1  TYR  92           HE1      TYR  92  13.430 -14.473  -1.590
  544    HE2  TYR  92           HE2      TYR  92  16.828 -12.917  -3.702
  545    HH   TYR  92           HH       TYR  92  15.774 -15.007  -4.087
  546    H    PHE  93           H        PHE  93  13.160  -8.736   1.777
  547    HA   PHE  93           HA       PHE  93  14.971  -6.594   2.749
  548   1HB   PHE  93          1HB       PHE  93  12.010  -7.040   3.259
  549   2HB   PHE  93          2HB       PHE  93  12.942  -5.623   3.711
  550    HD1  PHE  93           HD1      PHE  93  11.070  -7.224   1.084
  551    HD2  PHE  93           HD2      PHE  93  14.074  -4.244   1.846
  552    HE1  PHE  93           HE1      PHE  93  10.695  -6.268  -1.168
  553    HE2  PHE  93           HE2      PHE  93  13.693  -3.297  -0.410
  554    HZ   PHE  93           HZ       PHE  93  12.010  -4.304  -1.916
  555    H    TYR  94           H        TYR  94  16.098  -6.958   4.527
  556    HA   TYR  94           HA       TYR  94  15.154  -8.971   6.526
  557   1HB   TYR  94          1HB       TYR  94  17.822  -8.087   5.506
  558   2HB   TYR  94          2HB       TYR  94  17.744  -8.501   7.216
  559    HD1  TYR  94           HD1      TYR  94  17.230  -9.759   3.778
  560    HD2  TYR  94           HD2      TYR  94  17.416 -10.752   7.949
  561    HE1  TYR  94           HE1      TYR  94  17.288 -12.163   3.200
  562    HE2  TYR  94           HE2      TYR  94  17.472 -13.162   7.366
  563    HH   TYR  94           HH       TYR  94  17.431 -14.238   3.965
  564    H    SER  95           H        SER  95  14.606  -8.257   8.525
  565    HA   SER  95           HA       SER  95  15.370  -5.455   9.306
  566   1HB   SER  95          1HB       SER  95  12.863  -6.031   8.720
  567   2HB   SER  95          2HB       SER  95  12.858  -6.758  10.323
  568    HG   SER  95           HG       SER  95  12.722  -4.840  11.104
  569    H    PHE  96           H        PHE  96  16.392  -5.302  11.227
  570    HA   PHE  96           HA       PHE  96  16.232  -7.573  13.178
  571   1HB   PHE  96          1HB       PHE  96  18.671  -6.093  12.159
  572   2HB   PHE  96          2HB       PHE  96  18.667  -6.986  13.679
  573    HD1  PHE  96           HD1      PHE  96  17.816  -9.450  13.577
  574    HD2  PHE  96           HD2      PHE  96  19.125  -7.232  10.160
  575    HE1  PHE  96           HE1      PHE  96  18.233 -11.572  12.364
  576    HE2  PHE  96           HE2      PHE  96  19.556  -9.339   8.947
  577    HZ   PHE  96           HZ       PHE  96  19.104 -11.516  10.043
  578    H    GLY  97           H        GLY  97  14.721  -6.204  14.316
  579   1HA   GLY  97          1HA       GLY  97  15.307  -4.821  16.499
  580   2HA   GLY  97          2HA       GLY  97  15.710  -3.584  15.309
  581    H    GLY  98           H        GLY  98  13.880  -2.408  16.459
  582   1HA   GLY  98          1HA       GLY  98  11.614  -1.740  16.598
  583   2HA   GLY  98          2HA       GLY  98  11.625  -2.132  14.882
  584    H    CYS  99           H        CYS  99  12.235  -4.723  17.140
  585    HA   CYS  99           HA       CYS  99  10.226  -6.401  16.130
  586   1HB   CYS  99          1HB       CYS  99  11.099  -6.501  19.020
  587   2HB   CYS  99          2HB       CYS  99  10.689  -7.841  17.949
  588    HG   CYS  99           HG       CYS  99  13.009  -7.852  17.068
  589    H    HIS 100           H        HIS 100  10.086  -4.440  19.128
  590    HA   HIS 100           HA       HIS 100   7.345  -5.052  19.678
  591   1HB   HIS 100          1HB       HIS 100   9.206  -2.833  20.527
  592   2HB   HIS 100          2HB       HIS 100   7.509  -2.808  21.001
  593    HD1  HIS 100           HD1      HIS 100  10.483  -5.201  21.164
  594    HD2  HIS 100           HD2      HIS 100   6.974  -4.335  23.240
  595    HE1  HIS 100           HE1      HIS 100  10.480  -6.685  23.220
  596    H    ARG 101           H        ARG 101   8.849  -2.454  17.765
  597    HA   ARG 101           HA       ARG 101   6.413  -1.012  17.311
  598   1HB   ARG 101          1HB       ARG 101   8.630  -0.029  16.870
  599   2HB   ARG 101          2HB       ARG 101   8.875  -1.168  15.550
  600   1HG   ARG 101          1HG       ARG 101   7.244  -0.173  14.205
  601   2HG   ARG 101          2HG       ARG 101   6.408   0.559  15.567
  602   1HD   ARG 101          1HD       ARG 101   8.028   1.987  13.936
  603   2HD   ARG 101          2HD       ARG 101   7.824   2.378  15.643
  604    HE   ARG 101           HE       ARG 101   9.985   0.470  15.085
  605   1HH1  ARG 101          1HH1      ARG 101   8.976   3.749  15.457
  606   2HH1  ARG 101          2HH1      ARG 101  10.553   4.324  15.882
  607   1HH2  ARG 101          1HH2      ARG 101  12.049   1.206  15.641
  608   2HH2  ARG 101          2HH2      ARG 101  12.292   2.886  15.985
  609    H    TYR 102           H        TYR 102   7.814  -3.853  15.804
  610    HA   TYR 102           HA       TYR 102   6.105  -3.880  13.480
  611   1HB   TYR 102          1HB       TYR 102   8.072  -5.244  13.412
  612   2HB   TYR 102          2HB       TYR 102   7.677  -6.023  14.937
  613    HD1  TYR 102           HD1      TYR 102   5.802  -7.615  15.091
  614    HD2  TYR 102           HD2      TYR 102   7.097  -6.021  11.324
  615    HE1  TYR 102           HE1      TYR 102   4.590  -9.423  13.917
  616    HE2  TYR 102           HE2      TYR 102   5.891  -7.840  10.143
  617    HH   TYR 102           HH       TYR 102   5.134 -10.400  10.994
  618    H    ALA 103           H        ALA 103   5.867  -5.316  16.727
  619    HA   ALA 103           HA       ALA 103   3.449  -6.766  16.345
  620   1HB   ALA 103          1HB       ALA 103   5.029  -6.793  18.375
  621   2HB   ALA 103          2HB       ALA 103   3.300  -6.868  18.714
  622   3HB   ALA 103          3HB       ALA 103   4.172  -5.348  18.915
  623    H    ALA 104           H        ALA 104   3.974  -3.388  17.379
  624    HA   ALA 104           HA       ALA 104   1.251  -2.748  17.839
  625   1HB   ALA 104          1HB       ALA 104   2.856  -1.147  18.552
  626   2HB   ALA 104          2HB       ALA 104   2.019  -0.369  17.208
  627   3HB   ALA 104          3HB       ALA 104   3.613  -1.082  16.960
  628    H    TYR 105           H        TYR 105   3.180  -2.542  14.846
  629    HA   TYR 105           HA       TYR 105   1.001  -1.548  13.241
  630   1HB   TYR 105          1HB       TYR 105   3.747  -2.644  12.785
  631   2HB   TYR 105          2HB       TYR 105   2.644  -2.710  11.421
  632    HD1  TYR 105           HD1      TYR 105   1.824  -0.685  10.348
  633    HD2  TYR 105           HD2      TYR 105   4.444  -0.491  13.742
  634    HE1  TYR 105           HE1      TYR 105   2.233   1.719   9.894
  635    HE2  TYR 105           HE2      TYR 105   4.856   1.912  13.289
  636    HH   TYR 105           HH       TYR 105   3.884   3.759  12.153
  637    H    GLN 106           H        GLN 106   2.292  -4.802  13.910
  638    HA   GLN 106           HA       GLN 106   0.590  -6.190  12.086
  639   1HB   GLN 106          1HB       GLN 106   2.674  -7.081  13.248
  640   2HB   GLN 106          2HB       GLN 106   1.678  -7.274  14.691
  641   1HG   GLN 106          1HG       GLN 106   0.055  -8.568  13.120
  642   2HG   GLN 106          2HG       GLN 106   1.431  -8.666  12.028
  643   1HE2  GLN 106          1HE2      GLN 106   0.612  -9.401  15.507
  644   2HE2  GLN 106          2HE2      GLN 106   1.662 -10.729  15.596
  645    H    GLN 107           H        GLN 107   0.180  -5.102  15.419
  646    HA   GLN 107           HA       GLN 107  -2.254  -6.588  15.895
  647   1HB   GLN 107          1HB       GLN 107  -0.850  -5.749  17.740
  648   2HB   GLN 107          2HB       GLN 107  -1.190  -4.089  17.249
  649   1HG   GLN 107          1HG       GLN 107  -3.431  -4.201  17.928
  650   2HG   GLN 107          2HG       GLN 107  -3.478  -5.959  17.831
  651   1HE2  GLN 107          1HE2      GLN 107  -4.127  -6.322  20.032
  652   2HE2  GLN 107          2HE2      GLN 107  -3.126  -5.952  21.352
  653    H    LEU 108           H        LEU 108  -1.547  -3.295  14.755
  654    HA   LEU 108           HA       LEU 108  -4.356  -2.538  14.663
  655   1HB   LEU 108          1HB       LEU 108  -1.876  -1.311  13.430
  656   2HB   LEU 108          2HB       LEU 108  -3.477  -0.577  13.347
  657    HG   LEU 108           HG       LEU 108  -2.078  -1.319  15.939
  658   1HD1  LEU 108          1HD1      LEU 108  -1.003   0.548  14.515
  659   2HD1  LEU 108          2HD1      LEU 108  -1.405   0.938  16.187
  660   3HD1  LEU 108          3HD1      LEU 108  -2.454   1.482  14.877
  661   1HD2  LEU 108          1HD2      LEU 108  -4.308  -1.195  16.547
  662   2HD2  LEU 108          2HD2      LEU 108  -4.724  -0.086  15.241
  663   3HD2  LEU 108          3HD2      LEU 108  -3.894   0.511  16.675
  664    H    GLN 109           H        GLN 109  -3.011  -4.897  13.055
  665    HA   GLN 109           HA       GLN 109  -3.252  -5.857  10.920
  666   1HB   GLN 109          1HB       GLN 109  -5.908  -4.408  11.082
  667   2HB   GLN 109          2HB       GLN 109  -5.548  -5.849  10.131
  668   1HG   GLN 109          1HG       GLN 109  -4.911  -6.967  12.347
  669   2HG   GLN 109          2HG       GLN 109  -5.670  -5.587  13.142
  670   1HE2  GLN 109          1HE2      GLN 109  -7.357  -5.925  10.310
  671   2HE2  GLN 109          2HE2      GLN 109  -8.603  -6.950  10.836
  672    H    ARG 110           H        ARG 110  -1.792  -3.432  10.741
  673    HA   ARG 110           HA       ARG 110  -2.952  -1.802   8.607
  674   1HB   ARG 110          1HB       ARG 110  -0.221  -1.907   9.905
  675   2HB   ARG 110          2HB       ARG 110  -0.589  -0.819   8.572
  676   1HG   ARG 110          1HG       ARG 110  -2.332  -0.871  11.045
  677   2HG   ARG 110          2HG       ARG 110  -0.841   0.064  11.022
  678   1HD   ARG 110          1HD       ARG 110  -1.690   1.182   8.900
  679   2HD   ARG 110          2HD       ARG 110  -3.240   0.399   9.201
  680    HE   ARG 110           HE       ARG 110  -3.609   1.895  10.997
  681   1HH1  ARG 110          1HH1      ARG 110  -0.360   1.970   9.842
  682   2HH1  ARG 110          2HH1      ARG 110   0.069   3.384  10.747
  683   1HH2  ARG 110          1HH2      ARG 110  -3.068   3.740  12.181
  684   2HH2  ARG 110          2HH2      ARG 110  -1.464   4.386  12.071
  685    H    GLU 111           H        GLU 111  -2.036  -1.690   6.456
  686    HA   GLU 111           HA       GLU 111  -1.401  -4.335   5.422
  687   1HB   GLU 111          1HB       GLU 111  -2.739  -2.204   4.391
  688   2HB   GLU 111          2HB       GLU 111  -1.173  -1.950   3.629
  689   1HG   GLU 111          1HG       GLU 111  -1.234  -4.311   2.816
  690   2HG   GLU 111          2HG       GLU 111  -2.848  -4.470   3.508
  691    H    THR 112           H        THR 112   0.397  -1.245   5.740
  692    HA   THR 112           HA       THR 112   2.927  -2.806   5.246
  693    HB   THR 112           HB       THR 112   3.781  -0.747   4.078
  694    HG1  THR 112           HG1      THR 112   2.495   0.862   4.635
  695   1HG2  THR 112          1HG2      THR 112   1.808  -2.667   3.080
  696   2HG2  THR 112          2HG2      THR 112   3.239  -2.018   2.279
  697   3HG2  THR 112          3HG2      THR 112   1.719  -1.135   2.213
  698    H    ILE 113           H        ILE 113   4.865  -1.288   5.859
  699    HA   ILE 113           HA       ILE 113   4.207   0.355   8.261
  700    HB   ILE 113           HB       ILE 113   4.825  -1.987   8.968
  701   1HG1  ILE 113          1HG1      ILE 113   6.820   0.139   9.789
  702   2HG1  ILE 113          2HG1      ILE 113   5.156   0.093  10.371
  703   1HG2  ILE 113          1HG2      ILE 113   6.579  -2.172   7.080
  704   2HG2  ILE 113          2HG2      ILE 113   7.048  -2.788   8.664
  705   3HG2  ILE 113          3HG2      ILE 113   7.626  -1.214   8.125
  706   1HD1  ILE 113          1HD1      ILE 113   7.340  -1.958  10.809
  707   2HD1  ILE 113          2HD1      ILE 113   5.642  -2.298  11.138
  708   3HD1  ILE 113          3HD1      ILE 113   6.475  -1.026  12.030
  709    HA   PRO 114           HA       PRO 114   7.339   2.899   6.244
  710   1HB   PRO 114          1HB       PRO 114   7.848   4.284   8.814
  711   2HB   PRO 114          2HB       PRO 114   7.182   4.936   7.307
  712   1HG   PRO 114          1HG       PRO 114   5.687   4.576   9.530
  713   2HG   PRO 114          2HG       PRO 114   5.020   4.423   7.896
  714   1HD   PRO 114          1HD       PRO 114   5.842   2.255   9.817
  715   2HD   PRO 114          2HD       PRO 114   4.430   2.346   8.752
  716    H    ALA 115           H        ALA 115   9.469   2.427   5.908
  717    HA   ALA 115           HA       ALA 115  11.263   1.812   8.161
  718   1HB   ALA 115          1HB       ALA 115  10.616  -0.215   6.000
  719   2HB   ALA 115          2HB       ALA 115  10.322  -0.390   7.730
  720   3HB   ALA 115          3HB       ALA 115  11.974  -0.354   7.115
  721    H    LYS 116           H        LYS 116  13.350   2.413   7.664
  722    HA   LYS 116           HA       LYS 116  13.764   3.714   5.059
  723   1HB   LYS 116          1HB       LYS 116  14.774   4.182   7.607
  724   2HB   LYS 116          2HB       LYS 116  16.144   3.427   6.816
  725   1HG   LYS 116          1HG       LYS 116  14.597   5.787   5.693
  726   2HG   LYS 116          2HG       LYS 116  16.090   5.937   6.613
  727   1HD   LYS 116          1HD       LYS 116  16.038   4.126   4.203
  728   2HD   LYS 116          2HD       LYS 116  16.157   5.864   3.963
  729   1HE   LYS 116          1HE       LYS 116  17.999   4.478   5.906
  730   2HE   LYS 116          2HE       LYS 116  18.359   4.485   4.181
  731   1HZ   LYS 116          1HZ       LYS 116  17.723   7.051   4.624
  732   2HZ   LYS 116          2HZ       LYS 116  19.309   6.441   4.637
  733   3HZ   LYS 116          3HZ       LYS 116  18.462   6.644   6.096
  734    H    LEU 117           H        LEU 117  14.541   2.656   3.334
  735    HA   LEU 117           HA       LEU 117  15.536  -0.086   3.607
  736   1HB   LEU 117          1HB       LEU 117  15.487   1.674   1.136
  737   2HB   LEU 117          2HB       LEU 117  15.696  -0.074   1.172
  738    HG   LEU 117           HG       LEU 117  13.218   1.458   2.027
  739   1HD1  LEU 117          1HD1      LEU 117  12.253  -0.016   0.130
  740   2HD1  LEU 117          2HD1      LEU 117  13.931  -0.268  -0.350
  741   3HD1  LEU 117          3HD1      LEU 117  13.253   1.358  -0.346
  742   1HD2  LEU 117          1HD2      LEU 117  14.006  -1.443   2.277
  743   2HD2  LEU 117          2HD2      LEU 117  12.310  -0.993   2.099
  744   3HD2  LEU 117          3HD2      LEU 117  13.236  -0.398   3.473
  745    H    VAL 118           H        VAL 118  17.638  -0.760   3.463
  746    HA   VAL 118           HA       VAL 118  19.761   1.291   2.969
  747    HB   VAL 118           HB       VAL 118  19.560  -0.703   5.245
  748   1HG1  VAL 118          1HG1      VAL 118  21.822   0.266   5.883
  749   2HG1  VAL 118          2HG1      VAL 118  21.907   0.923   4.249
  750   3HG1  VAL 118          3HG1      VAL 118  21.829  -0.822   4.496
  751   1HG2  VAL 118          1HG2      VAL 118  18.444   1.598   5.376
  752   2HG2  VAL 118          2HG2      VAL 118  20.072   2.276   5.339
  753   3HG2  VAL 118          3HG2      VAL 118  19.589   1.215   6.661
  754    H    GLN 119           H        GLN 119  20.442   0.497   0.993
  755    HA   GLN 119           HA       GLN 119  20.501  -2.214   0.193
  756   1HB   GLN 119          1HB       GLN 119  20.869  -0.206  -1.300
  757   2HB   GLN 119          2HB       GLN 119  22.501  -0.087  -0.646
  758   1HG   GLN 119          1HG       GLN 119  21.554  -2.715  -1.796
  759   2HG   GLN 119          2HG       GLN 119  22.065  -1.434  -2.881
  760   1HE2  GLN 119          1HE2      GLN 119  23.191  -3.794  -0.574
  761   2HE2  GLN 119          2HE2      GLN 119  24.844  -3.471  -0.762
  762    H    SER 120           H        SER 120  21.748  -3.900   0.835
  763    HA   SER 120           HA       SER 120  24.382  -3.349   2.154
  764   1HB   SER 120          1HB       SER 120  22.057  -4.969   3.168
  765   2HB   SER 120          2HB       SER 120  23.691  -5.367   3.671
  766    HG   SER 120           HG       SER 120  23.867  -3.495   4.697
  767    H    THR 121           H        THR 121  25.415  -5.721   2.524
  768    HA   THR 121           HA       THR 121  25.147  -7.211  -0.074
  769    HB   THR 121           HB       THR 121  27.624  -7.742   0.332
  770    HG1  THR 121           HG1      THR 121  27.071  -5.837   2.302
  771   1HG2  THR 121          1HG2      THR 121  26.739  -4.900  -0.229
  772   2HG2  THR 121          2HG2      THR 121  26.926  -6.195  -1.412
  773   3HG2  THR 121          3HG2      THR 121  28.343  -5.536  -0.593
  774    H    LEU 122           H        LEU 122  25.823  -9.519   0.106
  775    HA   LEU 122           HA       LEU 122  24.477 -10.833   2.220
  776   1HB   LEU 122          1HB       LEU 122  25.127 -11.869  -0.004
  777   2HB   LEU 122          2HB       LEU 122  26.765 -12.020   0.625
  778    HG   LEU 122           HG       LEU 122  25.830 -13.353   2.550
  779   1HD1  LEU 122          1HD1      LEU 122  23.478 -14.391   1.836
  780   2HD1  LEU 122          2HD1      LEU 122  23.292 -12.842   1.022
  781   3HD1  LEU 122          3HD1      LEU 122  23.559 -12.898   2.761
  782   1HD2  LEU 122          1HD2      LEU 122  26.832 -14.596   0.779
  783   2HD2  LEU 122          2HD2      LEU 122  25.469 -14.296  -0.300
  784   3HD2  LEU 122          3HD2      LEU 122  25.280 -15.381   1.078
  785    H    SER 123           H        SER 123  27.909  -9.924   1.941
  786    HA   SER 123           HA       SER 123  28.941 -11.343   4.146
  787   1HB   SER 123          1HB       SER 123  30.349 -10.016   2.615
  788   2HB   SER 123          2HB       SER 123  29.641  -8.530   3.246
  789    HG   SER 123           HG       SER 123  30.665  -8.800   5.116
  790    H    ASP 124           H        ASP 124  27.175  -8.246   4.088
  791    HA   ASP 124           HA       ASP 124  27.476  -7.637   6.857
  792   1HB   ASP 124          1HB       ASP 124  25.508  -6.900   4.701
  793   2HB   ASP 124          2HB       ASP 124  25.175  -6.436   6.358
  794    H    LEU 125           H        LEU 125  25.017  -9.505   5.077
  795    HA   LEU 125           HA       LEU 125  23.356 -10.054   7.314
  796   1HB   LEU 125          1HB       LEU 125  23.069 -10.553   4.714
  797   2HB   LEU 125          2HB       LEU 125  23.722 -12.123   5.164
  798    HG   LEU 125           HG       LEU 125  21.943 -12.230   6.975
  799   1HD1  LEU 125          1HD1      LEU 125  19.880 -10.717   6.204
  800   2HD1  LEU 125          2HD1      LEU 125  21.163  -9.656   5.633
  801   3HD1  LEU 125          3HD1      LEU 125  21.079 -10.103   7.333
  802   1HD2  LEU 125          1HD2      LEU 125  20.172 -12.882   5.380
  803   2HD2  LEU 125          2HD2      LEU 125  21.755 -13.455   4.856
  804   3HD2  LEU 125          3HD2      LEU 125  21.032 -12.041   4.090
  805    H    ARG 126           H        ARG 126  26.251 -11.705   6.089
  806    HA   ARG 126           HA       ARG 126  26.179 -13.980   7.801
  807   1HB   ARG 126          1HB       ARG 126  27.852 -14.120   6.176
  808   2HB   ARG 126          2HB       ARG 126  28.350 -12.448   6.395
  809   1HG   ARG 126          1HG       ARG 126  29.569 -12.947   8.370
  810   2HG   ARG 126          2HG       ARG 126  28.789 -14.512   8.555
  811   1HD   ARG 126          1HD       ARG 126  31.041 -14.849   7.696
  812   2HD   ARG 126          2HD       ARG 126  29.881 -15.262   6.434
  813    HE   ARG 126           HE       ARG 126  30.781 -12.487   6.305
  814   1HH1  ARG 126          1HH1      ARG 126  31.374 -15.779   5.468
  815   2HH1  ARG 126          2HH1      ARG 126  32.333 -15.392   4.079
  816   1HH2  ARG 126          1HH2      ARG 126  32.030 -11.963   4.495
  817   2HH2  ARG 126          2HH2      ARG 126  32.705 -13.231   3.528
  818    H    VAL 127           H        VAL 127  27.280 -10.656   8.410
  819    HA   VAL 127           HA       VAL 127  28.508 -11.091  10.928
  820    HB   VAL 127           HB       VAL 127  26.857  -8.704  10.041
  821   1HG1  VAL 127          1HG1      VAL 127  28.834  -9.114  12.298
  822   2HG1  VAL 127          2HG1      VAL 127  27.134  -8.671  12.442
  823   3HG1  VAL 127          3HG1      VAL 127  28.288  -7.528  11.756
  824   1HG2  VAL 127          1HG2      VAL 127  29.058  -7.738   9.471
  825   2HG2  VAL 127          2HG2      VAL 127  28.763  -9.210   8.549
  826   3HG2  VAL 127          3HG2      VAL 127  29.840  -9.246   9.942
  827    H    TYR 128           H        TYR 128  25.106 -10.839   9.983
  828    HA   TYR 128           HA       TYR 128  24.220 -10.995  12.815
  829   1HB   TYR 128          1HB       TYR 128  22.671 -10.935  10.214
  830   2HB   TYR 128          2HB       TYR 128  21.932 -10.992  11.812
  831    HD1  TYR 128           HD1      TYR 128  22.238  -9.100  13.409
  832    HD2  TYR 128           HD2      TYR 128  23.600  -8.913   9.344
  833    HE1  TYR 128           HE1      TYR 128  22.397  -6.632  13.577
  834    HE2  TYR 128           HE2      TYR 128  23.759  -6.447   9.508
  835    HH   TYR 128           HH       TYR 128  23.135  -4.643  10.759
  836    H    LEU 129           H        LEU 129  23.883 -12.972   9.860
  837    HA   LEU 129           HA       LEU 129  23.184 -15.336  11.562
  838   1HB   LEU 129          1HB       LEU 129  22.563 -14.743   8.661
  839   2HB   LEU 129          2HB       LEU 129  22.068 -16.182   9.542
  840    HG   LEU 129           HG       LEU 129  21.215 -13.330  10.111
  841   1HD1  LEU 129          1HD1      LEU 129  18.931 -14.440   9.613
  842   2HD1  LEU 129          2HD1      LEU 129  19.869 -15.759   8.909
  843   3HD1  LEU 129          3HD1      LEU 129  19.997 -14.131   8.242
  844   1HD2  LEU 129          1HD2      LEU 129  20.851 -15.892  11.654
  845   2HD2  LEU 129          2HD2      LEU 129  19.600 -14.650  11.715
  846   3HD2  LEU 129          3HD2      LEU 129  21.235 -14.278  12.254
  847    H    GLY 130           H        GLY 130  25.916 -14.717  11.177
  848   1HA   GLY 130          1HA       GLY 130  27.046 -15.990   8.882
  849   2HA   GLY 130          2HA       GLY 130  27.905 -15.678  10.389
  850    H    ALA 131           H        ALA 131  24.987 -17.712   9.974
  851    HA   ALA 131           HA       ALA 131  26.584 -20.168  10.234
  852   1HB   ALA 131          1HB       ALA 131  25.116 -20.828  12.276
  853   2HB   ALA 131          2HB       ALA 131  24.842 -19.094  12.453
  854   3HB   ALA 131          3HB       ALA 131  26.478 -19.743  12.553
  855    H    SER 132           H        SER 132  23.220 -18.961  10.629
  856    HA   SER 132           HA       SER 132  22.273 -21.282   9.005
  857   1HB   SER 132          1HB       SER 132  19.994 -20.416   9.753
  858   2HB   SER 132          2HB       SER 132  21.036 -21.025  11.039
  859    HG   SER 132           HG       SER 132  20.388 -18.375  10.366
  860    H    THR 133           H        THR 133  23.692 -19.090   7.729
  861    HA   THR 133           HA       THR 133  21.756 -17.312   6.520
  862    HB   THR 133           HB       THR 133  24.301 -17.736   5.046
  863    HG1  THR 133           HG1      THR 133  24.402 -16.788   7.701
  864   1HG2  THR 133          1HG2      THR 133  24.371 -15.394   5.025
  865   2HG2  THR 133          2HG2      THR 133  23.448 -15.256   6.523
  866   3HG2  THR 133          3HG2      THR 133  22.638 -15.726   5.029
  867    HA   PRO 134           HA       PRO 134  20.669 -20.521   3.453
  868   1HB   PRO 134          1HB       PRO 134  18.519 -19.305   2.339
  869   2HB   PRO 134          2HB       PRO 134  18.450 -20.033   3.953
  870   1HG   PRO 134          1HG       PRO 134  18.750 -17.163   3.176
  871   2HG   PRO 134          2HG       PRO 134  17.775 -17.879   4.469
  872   1HD   PRO 134          1HD       PRO 134  20.269 -16.711   4.856
  873   2HD   PRO 134          2HD       PRO 134  19.564 -17.918   5.947
  874    H    ASP 135           H        ASP 135  19.971 -20.192   0.934
  875    HA   ASP 135           HA       ASP 135  22.083 -18.441  -0.261
  876   1HB   ASP 135          1HB       ASP 135  22.059 -20.979  -0.667
  877   2HB   ASP 135          2HB       ASP 135  20.607 -20.701  -1.627
  878    H    LEU 136           H        LEU 136  21.296 -16.603  -1.086
  879    HA   LEU 136           HA       LEU 136  18.447 -16.286  -1.682
  880   1HB   LEU 136          1HB       LEU 136  20.783 -14.391  -2.047
  881   2HB   LEU 136          2HB       LEU 136  19.086 -13.957  -2.237
  882    HG   LEU 136           HG       LEU 136  20.334 -15.017   0.315
  883   1HD1  LEU 136          1HD1      LEU 136  20.993 -12.667  -0.467
  884   2HD1  LEU 136          2HD1      LEU 136  20.256 -12.771   1.132
  885   3HD1  LEU 136          3HD1      LEU 136  19.299 -12.229  -0.246
  886   1HD2  LEU 136          1HD2      LEU 136  18.050 -14.002   1.165
  887   2HD2  LEU 136          2HD2      LEU 136  18.079 -15.621   0.480
  888   3HD2  LEU 136          3HD2      LEU 136  17.536 -14.254  -0.502
  889    H    GLN 137           H        GLN 137  17.512 -16.175  -3.670
  890    HA   GLN 137           HA       GLN 137  19.251 -16.433  -6.096
  891   1HB   GLN 137          1HB       GLN 137  16.569 -17.799  -5.834
  892   2HB   GLN 137          2HB       GLN 137  17.868 -18.135  -6.975
  893   1HG   GLN 137          1HG       GLN 137  17.918 -18.655  -3.990
  894   2HG   GLN 137          2HG       GLN 137  17.824 -19.872  -5.261
  895   1HE2  GLN 137          1HE2      GLN 137  20.042 -18.742  -3.150
  896   2HE2  GLN 137          2HE2      GLN 137  21.443 -18.831  -4.093
  897   1H5*  ATP   1          1H5*      ATP   1  12.574   3.048  19.131
  898   2H5*  ATP   1          2H5*      ATP   1  10.985   2.706  18.511
  899    H4*  ATP   1           H4*      ATP   1  11.531   5.127  19.254
  900    H3*  ATP   1           H3*      ATP   1  10.948   3.902  22.010
  901   *HO3  ATP   1          *HO3      ATP   1  13.063   4.190  21.748
  902    H2*  ATP   1           H2*      ATP   1   9.892   5.870  22.609
  903   *HO2  ATP   1          *HO2      ATP   1  12.013   6.693  21.584
  904    H1*  ATP   1           H1*      ATP   1   9.437   6.593  19.775
  905    H8   ATP   1           H8       ATP   1   7.028   7.298  19.692
  906    H2   ATP   1           H2       ATP   1   7.456   2.612  24.110
  907   1HN6  ATP   1          1HN6      ATP   1   3.450   4.593  24.014
  908   2HN6  ATP   1          2HN6      ATP   1   3.429   5.663  22.623
  Start of MODEL    9
    1   1H    GLY  17          1H        GLY  17   3.335   4.086 -18.208
    2   2H    GLY  17          2H        GLY  17   2.959   4.865 -19.670
    3   3H    GLY  17          3H        GLY  17   1.958   3.624 -19.084
    4   1HA   GLY  17          1HA       GLY  17   1.248   4.949 -17.247
    5   2HA   GLY  17          2HA       GLY  17   2.401   6.207 -17.692
    6    H    ALA  18           H        ALA  18  -0.679   4.751 -18.450
    7    HA   ALA  18           HA       ALA  18  -1.085   6.309 -20.879
    8   1HB   ALA  18          1HB       ALA  18  -3.539   5.509 -20.467
    9   2HB   ALA  18          2HB       ALA  18  -2.820   4.499 -19.213
   10   3HB   ALA  18          3HB       ALA  18  -2.312   4.316 -20.888
   11    HA   PRO  19           HA       PRO  19  -3.598   9.099 -17.985
   12   1HB   PRO  19          1HB       PRO  19  -3.440   8.875 -15.314
   13   2HB   PRO  19          2HB       PRO  19  -4.406   7.736 -16.272
   14   1HG   PRO  19          1HG       PRO  19  -1.731   7.362 -15.009
   15   2HG   PRO  19          2HG       PRO  19  -3.044   6.196 -15.230
   16   1HD   PRO  19          1HD       PRO  19  -0.740   6.496 -16.890
   17   2HD   PRO  19          2HD       PRO  19  -2.169   5.508 -17.249
   18    H    GLU  20           H        GLU  20  -2.401  10.926 -18.524
   19    HA   GLU  20           HA       GLU  20   0.260  11.476 -17.668
   20   1HB   GLU  20          1HB       GLU  20  -1.968  13.320 -18.572
   21   2HB   GLU  20          2HB       GLU  20  -0.314  13.863 -18.285
   22   1HG   GLU  20          1HG       GLU  20  -0.545  13.371 -20.648
   23   2HG   GLU  20          2HG       GLU  20   0.465  12.119 -19.926
   24    H    GLY  21           H        GLY  21  -2.746  11.703 -16.000
   25   1HA   GLY  21          1HA       GLY  21  -3.245  12.399 -13.815
   26   2HA   GLY  21          2HA       GLY  21  -1.512  12.307 -13.498
   27    HA   PRO  22           HA       PRO  22  -2.970  16.801 -13.710
   28   1HB   PRO  22          1HB       PRO  22  -2.855  17.441 -11.067
   29   2HB   PRO  22          2HB       PRO  22  -4.290  16.696 -11.798
   30   1HG   PRO  22          1HG       PRO  22  -2.092  15.421 -10.213
   31   2HG   PRO  22          2HG       PRO  22  -3.843  15.170 -10.105
   32   1HD   PRO  22          1HD       PRO  22  -2.161  13.466 -11.470
   33   2HD   PRO  22          2HD       PRO  22  -3.866  13.700 -11.912
   34    H    GLY  23           H        GLY  23  -1.611  18.730 -13.113
   35   1HA   GLY  23          1HA       GLY  23   0.472  19.797 -12.948
   36   2HA   GLY  23          2HA       GLY  23   0.952  18.482 -11.875
   37    HA   PRO  24           HA       PRO  24   1.611  17.001 -16.595
   38   1HB   PRO  24          1HB       PRO  24   2.132  19.818 -17.517
   39   2HB   PRO  24          2HB       PRO  24   1.479  18.441 -18.426
   40   1HG   PRO  24          1HG       PRO  24  -0.126  20.356 -17.515
   41   2HG   PRO  24          2HG       PRO  24  -0.628  18.657 -17.477
   42   1HD   PRO  24          1HD       PRO  24   0.255  20.420 -15.217
   43   2HD   PRO  24          2HD       PRO  24  -0.901  19.071 -15.205
   44    H    SER  25           H        SER  25   3.371  20.047 -15.872
   45    HA   SER  25           HA       SER  25   5.945  18.885 -16.455
   46   1HB   SER  25          1HB       SER  25   5.412  21.348 -16.523
   47   2HB   SER  25          2HB       SER  25   5.366  21.331 -14.760
   48    HG   SER  25           HG       SER  25   7.429  21.905 -15.764
   49    H    GLY  26           H        GLY  26   5.818  16.921 -15.117
   50   1HA   GLY  26          1HA       GLY  26   7.332  16.926 -12.803
   51   2HA   GLY  26          2HA       GLY  26   5.685  17.160 -12.219
   52    H    GLY  27           H        GLY  27   7.312  15.094 -14.661
   53   1HA   GLY  27          1HA       GLY  27   5.415  12.929 -14.198
   54   2HA   GLY  27          2HA       GLY  27   6.840  12.851 -15.234
   55    H    ALA  28           H        ALA  28   5.559  12.083 -12.133
   56    HA   ALA  28           HA       ALA  28   8.112  11.694 -10.793
   57   1HB   ALA  28          1HB       ALA  28   6.764  10.552  -9.068
   58   2HB   ALA  28          2HB       ALA  28   5.366  10.579 -10.142
   59   3HB   ALA  28          3HB       ALA  28   6.030  12.090  -9.523
   60    H    GLN  29           H        GLN  29   6.135   9.827 -12.955
   61    HA   GLN  29           HA       GLN  29   7.070   7.210 -12.255
   62   1HB   GLN  29          1HB       GLN  29   6.320   6.571 -14.526
   63   2HB   GLN  29          2HB       GLN  29   5.114   7.566 -13.710
   64   1HG   GLN  29          1HG       GLN  29   6.197   9.575 -14.868
   65   2HG   GLN  29          2HG       GLN  29   7.071   8.407 -15.859
   66   1HE2  GLN  29          1HE2      GLN  29   5.402   9.990 -17.308
   67   2HE2  GLN  29          2HE2      GLN  29   3.977   9.176 -17.739
   68    H    GLY  30           H        GLY  30   8.094   6.316 -14.803
   69   1HA   GLY  30          1HA       GLY  30  10.092   6.255 -16.059
   70   2HA   GLY  30          2HA       GLY  30  10.477   7.863 -15.444
   71    H    GLY  31           H        GLY  31  10.889   4.441 -14.951
   72   1HA   GLY  31          1HA       GLY  31  12.152   4.716 -12.330
   73   2HA   GLY  31          2HA       GLY  31  12.107   3.249 -13.309
   74    H    SER  32           H        SER  32  14.264   2.693 -13.426
   75    HA   SER  32           HA       SER  32  15.998   4.164 -15.173
   76   1HB   SER  32          1HB       SER  32  17.743   4.698 -13.383
   77   2HB   SER  32          2HB       SER  32  16.319   5.737 -13.402
   78    HG   SER  32           HG       SER  32  16.729   5.061 -11.302
   79    H    ILE  33           H        ILE  33  18.404   3.237 -14.768
   80    HA   ILE  33           HA       ILE  33  18.363   0.475 -13.719
   81    HB   ILE  33           HB       ILE  33  19.312  -0.354 -15.949
   82   1HG1  ILE  33          1HG1      ILE  33  18.015   2.218 -16.908
   83   2HG1  ILE  33          2HG1      ILE  33  19.751   1.907 -16.881
   84   1HG2  ILE  33          1HG2      ILE  33  16.976  -0.795 -15.107
   85   2HG2  ILE  33          2HG2      ILE  33  17.111  -0.776 -16.865
   86   3HG2  ILE  33          3HG2      ILE  33  16.440   0.617 -16.018
   87   1HD1  ILE  33          1HD1      ILE  33  19.348  -0.087 -18.359
   88   2HD1  ILE  33          2HD1      ILE  33  18.929   1.449 -19.119
   89   3HD1  ILE  33          3HD1      ILE  33  17.659   0.404 -18.482
   90    H    HIS  34           H        HIS  34  20.113   3.134 -15.255
   91    HA   HIS  34           HA       HIS  34  22.739   2.001 -14.720
   92   1HB   HIS  34          1HB       HIS  34  22.105   4.922 -15.188
   93   2HB   HIS  34          2HB       HIS  34  23.609   4.069 -15.539
   94    HD1  HIS  34           HD1      HIS  34  23.366   2.107 -17.429
   95    HD2  HIS  34           HD2      HIS  34  20.333   4.964 -17.319
   96    HE1  HIS  34           HE1      HIS  34  22.149   1.944 -19.644
   97    H    SER  35           H        SER  35  24.200   3.925 -13.482
   98    HA   SER  35           HA       SER  35  23.818   3.507 -10.743
   99   1HB   SER  35          1HB       SER  35  25.888   4.461 -11.683
  100   2HB   SER  35          2HB       SER  35  25.030   5.953 -12.070
  101    HG   SER  35           HG       SER  35  25.776   4.907  -9.582
  102    H    GLY  36           H        GLY  36  21.863   3.895  -9.770
  103   1HA   GLY  36          1HA       GLY  36  20.985   6.672  -9.499
  104   2HA   GLY  36          2HA       GLY  36  19.851   5.657 -10.390
  105    H    ARG  37           H        ARG  37  21.916   4.903  -7.574
  106    HA   ARG  37           HA       ARG  37  19.874   3.377  -6.269
  107   1HB   ARG  37          1HB       ARG  37  22.282   4.748  -5.031
  108   2HB   ARG  37          2HB       ARG  37  21.355   3.438  -4.308
  109   1HG   ARG  37          1HG       ARG  37  22.627   3.104  -7.030
  110   2HG   ARG  37          2HG       ARG  37  23.571   2.857  -5.564
  111   1HD   ARG  37          1HD       ARG  37  21.823   1.214  -4.795
  112   2HD   ARG  37          2HD       ARG  37  21.051   1.375  -6.373
  113    HE   ARG  37           HE       ARG  37  23.779   0.744  -6.817
  114   1HH1  ARG  37          1HH1      ARG  37  20.908  -0.571  -5.435
  115   2HH1  ARG  37          2HH1      ARG  37  21.335  -2.214  -5.779
  116   1HH2  ARG  37          1HH2      ARG  37  24.353  -1.394  -7.276
  117   2HH2  ARG  37          2HH2      ARG  37  23.285  -2.680  -6.822
  118    H    ILE  38           H        ILE  38  18.592   3.945  -4.417
  119    HA   ILE  38           HA       ILE  38  18.427   6.840  -3.724
  120    HB   ILE  38           HB       ILE  38  16.031   5.181  -4.598
  121   1HG1  ILE  38          1HG1      ILE  38  17.588   7.406  -5.938
  122   2HG1  ILE  38          2HG1      ILE  38  17.370   5.758  -6.524
  123   1HG2  ILE  38          1HG2      ILE  38  14.726   7.171  -4.275
  124   2HG2  ILE  38          2HG2      ILE  38  16.162   8.155  -4.010
  125   3HG2  ILE  38          3HG2      ILE  38  15.666   6.973  -2.800
  126   1HD1  ILE  38          1HD1      ILE  38  14.843   6.272  -6.509
  127   2HD1  ILE  38          2HD1      ILE  38  15.809   7.036  -7.772
  128   3HD1  ILE  38          3HD1      ILE  38  15.315   7.965  -6.356
  129    H    ALA  39           H        ALA  39  19.077   6.455  -1.630
  130    HA   ALA  39           HA       ALA  39  17.696   4.358  -0.035
  131   1HB   ALA  39          1HB       ALA  39  19.845   6.234   0.960
  132   2HB   ALA  39          2HB       ALA  39  20.243   4.809   0.001
  133   3HB   ALA  39          3HB       ALA  39  19.429   4.626   1.553
  134    H    ALA  40           H        ALA  40  15.670   5.155   0.501
  135    HA   ALA  40           HA       ALA  40  15.604   7.516   2.291
  136   1HB   ALA  40          1HB       ALA  40  14.102   8.782   1.017
  137   2HB   ALA  40          2HB       ALA  40  13.578   7.394   0.064
  138   3HB   ALA  40          3HB       ALA  40  15.157   8.119  -0.228
  139    H    VAL  41           H        VAL  41  13.014   7.770   2.812
  140    HA   VAL  41           HA       VAL  41  12.339   5.307   4.203
  141    HB   VAL  41           HB       VAL  41  10.783   7.882   3.845
  142   1HG1  VAL  41          1HG1      VAL  41   9.529   7.082   5.860
  143   2HG1  VAL  41          2HG1      VAL  41  10.340   5.526   5.696
  144   3HG1  VAL  41          3HG1      VAL  41   9.251   6.093   4.428
  145   1HG2  VAL  41          1HG2      VAL  41  12.619   6.849   6.020
  146   2HG2  VAL  41          2HG2      VAL  41  11.530   8.218   6.248
  147   3HG2  VAL  41          3HG2      VAL  41  12.822   8.312   5.055
  148    H    HIS  42           H        HIS  42  10.650   3.885   3.717
  149    HA   HIS  42           HA       HIS  42   8.939   4.378   1.353
  150   1HB   HIS  42          1HB       HIS  42  11.117   2.311   1.517
  151   2HB   HIS  42          2HB       HIS  42   9.672   1.961   0.575
  152    HD1  HIS  42           HD1      HIS  42   9.600   2.860  -1.745
  153    HD2  HIS  42           HD2      HIS  42  12.480   4.790   0.563
  154    HE1  HIS  42           HE1      HIS  42  10.884   4.369  -3.316
  155    H    ASN  43           H        ASN  43   7.096   2.996   1.330
  156    HA   ASN  43           HA       ASN  43   6.469   1.749   3.935
  157   1HB   ASN  43          1HB       ASN  43   4.846   2.217   1.415
  158   2HB   ASN  43          2HB       ASN  43   4.211   1.430   2.857
  159   1HD2  ASN  43          1HD2      ASN  43   2.943   3.768   2.140
  160   2HD2  ASN  43          2HD2      ASN  43   3.390   5.029   3.179
  161    H    VAL  44           H        VAL  44   7.715  -0.171   3.940
  162    HA   VAL  44           HA       VAL  44   7.583  -1.972   1.618
  163    HB   VAL  44           HB       VAL  44   9.660  -1.563   3.070
  164   1HG1  VAL  44          1HG1      VAL  44   8.351  -1.948   5.233
  165   2HG1  VAL  44          2HG1      VAL  44   9.904  -2.771   5.096
  166   3HG1  VAL  44          3HG1      VAL  44   8.407  -3.666   4.836
  167   1HG2  VAL  44          1HG2      VAL  44   9.518  -3.359   1.392
  168   2HG2  VAL  44          2HG2      VAL  44   8.741  -4.407   2.579
  169   3HG2  VAL  44          3HG2      VAL  44  10.411  -3.897   2.814
  170    HA   PRO  45           HA       PRO  45   3.763  -3.891   3.140
  171   1HB   PRO  45          1HB       PRO  45   4.950  -6.291   1.785
  172   2HB   PRO  45          2HB       PRO  45   3.296  -5.657   1.701
  173   1HG   PRO  45          1HG       PRO  45   5.025  -5.248  -0.278
  174   2HG   PRO  45          2HG       PRO  45   3.886  -3.988   0.217
  175   1HD   PRO  45          1HD       PRO  45   6.833  -4.164   0.704
  176   2HD   PRO  45          2HD       PRO  45   5.809  -2.732   0.489
  177    H    LEU  46           H        LEU  46   3.196  -5.096   4.926
  178    HA   LEU  46           HA       LEU  46   5.265  -5.970   6.737
  179   1HB   LEU  46          1HB       LEU  46   2.309  -6.610   6.714
  180   2HB   LEU  46          2HB       LEU  46   3.392  -6.872   8.068
  181    HG   LEU  46           HG       LEU  46   3.287  -4.096   6.944
  182   1HD1  LEU  46          1HD1      LEU  46   1.091  -5.336   8.605
  183   2HD1  LEU  46          2HD1      LEU  46   0.941  -4.658   6.985
  184   3HD1  LEU  46          3HD1      LEU  46   1.291  -3.602   8.355
  185   1HD2  LEU  46          1HD2      LEU  46   3.387  -3.543   9.385
  186   2HD2  LEU  46          2HD2      LEU  46   4.754  -4.503   8.831
  187   3HD2  LEU  46          3HD2      LEU  46   3.443  -5.266   9.733
  188    H    SER  47           H        SER  47   3.237  -7.541   4.349
  189    HA   SER  47           HA       SER  47   3.683 -10.238   5.219
  190   1HB   SER  47          1HB       SER  47   1.870  -9.338   3.636
  191   2HB   SER  47          2HB       SER  47   3.086  -9.469   2.366
  192    HG   SER  47           HG       SER  47   3.325 -11.669   2.939
  193    H    VAL  48           H        VAL  48   5.864  -8.106   3.558
  194    HA   VAL  48           HA       VAL  48   7.448 -10.480   2.619
  195    HB   VAL  48           HB       VAL  48   8.447  -9.093   0.973
  196   1HG1  VAL  48          1HG1      VAL  48   6.468  -8.234  -0.271
  197   2HG1  VAL  48          2HG1      VAL  48   5.491  -8.477   1.174
  198   3HG1  VAL  48          3HG1      VAL  48   6.225  -9.860   0.365
  199   1HG2  VAL  48          1HG2      VAL  48   7.143  -6.796   2.434
  200   2HG2  VAL  48          2HG2      VAL  48   7.809  -6.644   0.813
  201   3HG2  VAL  48          3HG2      VAL  48   8.862  -7.058   2.164
  202    H    LEU  49           H        LEU  49   7.396  -9.203   5.387
  203    HA   LEU  49           HA       LEU  49  10.129  -8.090   5.587
  204   1HB   LEU  49          1HB       LEU  49   7.934  -8.601   7.619
  205   2HB   LEU  49          2HB       LEU  49   9.543  -8.059   8.077
  206    HG   LEU  49           HG       LEU  49   7.706  -6.585   6.163
  207   1HD1  LEU  49          1HD1      LEU  49   7.293  -5.056   8.000
  208   2HD1  LEU  49          2HD1      LEU  49   8.445  -5.908   9.026
  209   3HD1  LEU  49          3HD1      LEU  49   6.934  -6.688   8.563
  210   1HD2  LEU  49          1HD2      LEU  49   9.466  -4.720   6.917
  211   2HD2  LEU  49          2HD2      LEU  49   9.817  -5.801   5.575
  212   3HD2  LEU  49          3HD2      LEU  49  10.503  -6.125   7.168
  213    H    ILE  50           H        ILE  50  11.845  -9.240   6.398
  214    HA   ILE  50           HA       ILE  50  11.394 -12.156   6.941
  215    HB   ILE  50           HB       ILE  50  13.919 -10.724   6.079
  216   1HG1  ILE  50          1HG1      ILE  50  12.078 -12.530   4.491
  217   2HG1  ILE  50          2HG1      ILE  50  12.049 -10.771   4.388
  218   1HG2  ILE  50          1HG2      ILE  50  13.209 -13.656   6.389
  219   2HG2  ILE  50          2HG2      ILE  50  14.392 -12.756   7.338
  220   3HG2  ILE  50          3HG2      ILE  50  14.686 -13.065   5.627
  221   1HD1  ILE  50          1HD1      ILE  50  13.445 -11.457   2.601
  222   2HD1  ILE  50          2HD1      ILE  50  14.275 -12.652   3.596
  223   3HD1  ILE  50          3HD1      ILE  50  14.563 -10.931   3.856
  224    H    ARG  51           H        ARG  51  11.423 -12.596   9.063
  225    HA   ARG  51           HA       ARG  51  13.483 -11.282  10.801
  226   1HB   ARG  51          1HB       ARG  51  10.541 -11.725  11.341
  227   2HB   ARG  51          2HB       ARG  51  11.707 -11.438  12.633
  228   1HG   ARG  51          1HG       ARG  51  12.384  -9.332  11.505
  229   2HG   ARG  51          2HG       ARG  51  11.136  -9.597  10.291
  230   1HD   ARG  51          1HD       ARG  51   9.436  -9.641  12.134
  231   2HD   ARG  51          2HD       ARG  51  10.715  -9.215  13.271
  232    HE   ARG  51           HE       ARG  51   9.456  -7.408  11.345
  233   1HH1  ARG  51          1HH1      ARG  51  12.207  -8.158  13.283
  234   2HH1  ARG  51          2HH1      ARG  51  12.760  -6.519  13.368
  235   1HH2  ARG  51          1HH2      ARG  51  10.162  -5.263  11.445
  236   2HH2  ARG  51          2HH2      ARG  51  11.603  -4.880  12.328
  237    HA   PRO  52           HA       PRO  52  13.671 -15.805  11.588
  238   1HB   PRO  52          1HB       PRO  52  16.252 -16.226  11.108
  239   2HB   PRO  52          2HB       PRO  52  15.153 -15.861   9.761
  240   1HG   PRO  52          1HG       PRO  52  17.118 -14.079  11.146
  241   2HG   PRO  52          2HG       PRO  52  16.710 -14.178   9.427
  242   1HD   PRO  52          1HD       PRO  52  15.637 -12.316  11.306
  243   2HD   PRO  52          2HD       PRO  52  15.025 -12.616   9.665
  244    H    LEU  53           H        LEU  53  14.023 -13.426  13.539
  245    HA   LEU  53           HA       LEU  53  15.701 -14.890  15.554
  246   1HB   LEU  53          1HB       LEU  53  16.695 -12.773  14.326
  247   2HB   LEU  53          2HB       LEU  53  15.661 -11.878  15.431
  248    HG   LEU  53           HG       LEU  53  17.575 -13.997  16.452
  249   1HD1  LEU  53          1HD1      LEU  53  19.147 -12.099  16.908
  250   2HD1  LEU  53          2HD1      LEU  53  18.120 -11.065  15.912
  251   3HD1  LEU  53          3HD1      LEU  53  18.949 -12.447  15.188
  252   1HD2  LEU  53          1HD2      LEU  53  16.240 -11.555  17.664
  253   2HD2  LEU  53          2HD2      LEU  53  17.438 -12.546  18.494
  254   3HD2  LEU  53          3HD2      LEU  53  15.887 -13.241  18.036
  255    HA   PRO  54           HA       PRO  54  11.529 -14.403  17.486
  256   1HB   PRO  54          1HB       PRO  54  13.163 -15.604  19.709
  257   2HB   PRO  54          2HB       PRO  54  11.513 -15.999  19.187
  258   1HG   PRO  54          1HG       PRO  54  13.557 -17.560  18.525
  259   2HG   PRO  54          2HG       PRO  54  12.255 -17.234  17.369
  260   1HD   PRO  54          1HD       PRO  54  15.051 -16.149  17.427
  261   2HD   PRO  54          2HD       PRO  54  14.013 -16.513  16.035
  262    H    SER  55           H        SER  55  10.858 -13.293  19.607
  263    HA   SER  55           HA       SER  55  12.875 -11.590  20.885
  264   1HB   SER  55          1HB       SER  55  10.766 -10.453  19.042
  265   2HB   SER  55          2HB       SER  55  11.568  -9.489  20.277
  266    HG   SER  55           HG       SER  55  13.562 -10.067  19.302
  267    H    VAL  56           H        VAL  56  11.889 -10.279  22.626
  268    HA   VAL  56           HA       VAL  56   9.429 -11.587  23.721
  269    HB   VAL  56           HB       VAL  56  11.718 -11.589  24.996
  270   1HG1  VAL  56          1HG1      VAL  56  12.249  -9.662  26.296
  271   2HG1  VAL  56          2HG1      VAL  56  10.733  -8.867  25.875
  272   3HG1  VAL  56          3HG1      VAL  56  11.995  -9.058  24.660
  273   1HG2  VAL  56          1HG2      VAL  56  10.522 -11.394  27.159
  274   2HG2  VAL  56          2HG2      VAL  56   9.598 -12.326  25.982
  275   3HG2  VAL  56          3HG2      VAL  56   9.157 -10.653  26.323
  276    H    LEU  57           H        LEU  57   7.615 -10.374  23.615
  277    HA   LEU  57           HA       LEU  57   7.879  -7.412  23.279
  278   1HB   LEU  57          1HB       LEU  57   5.492  -9.177  22.747
  279   2HB   LEU  57          2HB       LEU  57   5.648  -7.476  22.337
  280    HG   LEU  57           HG       LEU  57   7.427  -9.681  21.249
  281   1HD1  LEU  57          1HD1      LEU  57   6.183  -9.056  19.091
  282   2HD1  LEU  57          2HD1      LEU  57   5.008  -8.247  20.130
  283   3HD1  LEU  57          3HD1      LEU  57   5.269  -9.986  20.279
  284   1HD2  LEU  57          1HD2      LEU  57   7.881  -7.695  19.576
  285   2HD2  LEU  57          2HD2      LEU  57   8.718  -7.733  21.125
  286   3HD2  LEU  57          3HD2      LEU  57   7.314  -6.687  20.909
  287    H    ASP  58           H        ASP  58   6.724  -6.026  24.522
  288    HA   ASP  58           HA       ASP  58   5.592  -7.106  27.060
  289   1HB   ASP  58          1HB       ASP  58   7.414  -5.644  27.503
  290   2HB   ASP  58          2HB       ASP  58   6.884  -4.474  26.310
  291    HA   PRO  59           HA       PRO  59   1.686  -5.673  25.346
  292   1HB   PRO  59          1HB       PRO  59   0.072  -5.916  27.509
  293   2HB   PRO  59          2HB       PRO  59   0.755  -7.332  26.686
  294   1HG   PRO  59          1HG       PRO  59   1.702  -5.959  29.176
  295   2HG   PRO  59          2HG       PRO  59   1.486  -7.686  28.868
  296   1HD   PRO  59          1HD       PRO  59   3.931  -6.446  28.693
  297   2HD   PRO  59          2HD       PRO  59   3.501  -7.866  27.715
  298    H    ALA  60           H        ALA  60   3.274  -3.992  27.925
  299    HA   ALA  60           HA       ALA  60   1.290  -1.828  28.050
  300   1HB   ALA  60          1HB       ALA  60   4.081  -1.769  29.200
  301   2HB   ALA  60          2HB       ALA  60   2.776  -2.664  29.980
  302   3HB   ALA  60          3HB       ALA  60   2.643  -0.917  29.767
  303    H    LYS  61           H        LYS  61   4.563  -2.312  26.717
  304    HA   LYS  61           HA       LYS  61   4.737   0.408  25.747
  305   1HB   LYS  61          1HB       LYS  61   6.538  -1.692  26.135
  306   2HB   LYS  61          2HB       LYS  61   6.469  -1.557  24.388
  307   1HG   LYS  61          1HG       LYS  61   6.893   0.915  24.638
  308   2HG   LYS  61          2HG       LYS  61   7.130   0.634  26.363
  309   1HD   LYS  61          1HD       LYS  61   8.715  -0.718  24.155
  310   2HD   LYS  61          2HD       LYS  61   9.281   0.663  25.091
  311   1HE   LYS  61          1HE       LYS  61   8.753  -0.853  27.167
  312   2HE   LYS  61          2HE       LYS  61   8.818  -2.171  25.995
  313   1HZ   LYS  61          1HZ       LYS  61  10.956  -0.194  26.563
  314   2HZ   LYS  61          2HZ       LYS  61  11.019  -1.344  25.314
  315   3HZ   LYS  61          3HZ       LYS  61  10.978  -1.848  26.935
  316    H    VAL  62           H        VAL  62   3.604  -2.649  24.390
  317    HA   VAL  62           HA       VAL  62   3.521  -1.738  21.652
  318    HB   VAL  62           HB       VAL  62   1.972  -3.919  23.086
  319   1HG1  VAL  62          1HG1      VAL  62   1.639  -4.738  20.677
  320   2HG1  VAL  62          2HG1      VAL  62   2.103  -3.113  20.174
  321   3HG1  VAL  62          3HG1      VAL  62   0.669  -3.351  21.171
  322   1HG2  VAL  62          1HG2      VAL  62   4.507  -4.095  22.856
  323   2HG2  VAL  62          2HG2      VAL  62   4.257  -4.149  21.112
  324   3HG2  VAL  62          3HG2      VAL  62   3.587  -5.418  22.139
  325    H    GLN  63           H        GLN  63   1.238  -1.592  24.357
  326    HA   GLN  63           HA       GLN  63  -1.001  -0.662  22.795
  327   1HB   GLN  63          1HB       GLN  63  -0.278  -0.665  25.716
  328   2HB   GLN  63          2HB       GLN  63  -1.620   0.349  25.190
  329   1HG   GLN  63          1HG       GLN  63  -1.444  -2.569  24.411
  330   2HG   GLN  63          2HG       GLN  63  -2.186  -2.057  25.926
  331   1HE2  GLN  63          1HE2      GLN  63  -4.195  -3.040  24.785
  332   2HE2  GLN  63          2HE2      GLN  63  -5.088  -2.012  23.772
  333    H    SER  64           H        SER  64   1.518   1.048  24.666
  334    HA   SER  64           HA       SER  64   0.591   3.687  24.197
  335   1HB   SER  64          1HB       SER  64   2.405   3.211  25.774
  336   2HB   SER  64          2HB       SER  64   3.441   2.677  24.450
  337    HG   SER  64           HG       SER  64   2.566   5.253  25.116
  338    H    LEU  65           H        LEU  65   2.592   1.546  22.195
  339    HA   LEU  65           HA       LEU  65   3.099   3.552  20.166
  340   1HB   LEU  65          1HB       LEU  65   3.450   0.573  20.419
  341   2HB   LEU  65          2HB       LEU  65   3.674   1.344  18.857
  342    HG   LEU  65           HG       LEU  65   5.065   2.505  21.268
  343   1HD1  LEU  65          1HD1      LEU  65   5.991   0.098  19.680
  344   2HD1  LEU  65          2HD1      LEU  65   5.619   0.143  21.404
  345   3HD1  LEU  65          3HD1      LEU  65   7.013   1.025  20.780
  346   1HD2  LEU  65          1HD2      LEU  65   5.184   3.734  19.157
  347   2HD2  LEU  65          2HD2      LEU  65   5.742   2.289  18.317
  348   3HD2  LEU  65          3HD2      LEU  65   6.768   3.055  19.528
  349    H    VAL  66           H        VAL  66   0.946   0.702  20.352
  350    HA   VAL  66           HA       VAL  66  -0.356   1.033  17.871
  351    HB   VAL  66           HB       VAL  66  -1.224  -0.088  20.543
  352   1HG1  VAL  66          1HG1      VAL  66  -2.830   0.100  17.993
  353   2HG1  VAL  66          2HG1      VAL  66  -3.301   0.624  19.608
  354   3HG1  VAL  66          3HG1      VAL  66  -3.166  -1.095  19.243
  355   1HG2  VAL  66          1HG2      VAL  66  -0.550  -1.300  17.849
  356   2HG2  VAL  66          2HG2      VAL  66  -1.122  -2.222  19.238
  357   3HG2  VAL  66          3HG2      VAL  66   0.427  -1.383  19.316
  358    H    ASP  67           H        ASP  67  -0.746   2.684  20.937
  359    HA   ASP  67           HA       ASP  67  -3.180   4.102  20.166
  360   1HB   ASP  67          1HB       ASP  67  -2.275   3.584  22.561
  361   2HB   ASP  67          2HB       ASP  67  -1.277   5.012  22.331
  362    H    THR  68           H        THR  68   0.293   4.788  20.176
  363    HA   THR  68           HA       THR  68   0.113   7.569  19.539
  364    HB   THR  68           HB       THR  68   2.320   5.719  18.615
  365    HG1  THR  68           HG1      THR  68   1.480   6.392  21.144
  366   1HG2  THR  68          1HG2      THR  68   3.703   7.705  18.953
  367   2HG2  THR  68          2HG2      THR  68   2.310   8.594  19.569
  368   3HG2  THR  68          3HG2      THR  68   2.358   8.091  17.879
  369    H    ILE  69           H        ILE  69   0.609   4.735  17.428
  370    HA   ILE  69           HA       ILE  69   0.584   6.118  14.958
  371    HB   ILE  69           HB       ILE  69  -0.490   3.338  15.530
  372   1HG1  ILE  69          1HG1      ILE  69   2.311   4.375  15.005
  373   2HG1  ILE  69          2HG1      ILE  69   1.750   3.487  16.415
  374   1HG2  ILE  69          1HG2      ILE  69  -0.056   2.884  13.200
  375   2HG2  ILE  69          2HG2      ILE  69   0.763   4.430  12.991
  376   3HG2  ILE  69          3HG2      ILE  69  -0.979   4.382  13.249
  377   1HD1  ILE  69          1HD1      ILE  69   2.924   1.902  15.065
  378   2HD1  ILE  69          2HD1      ILE  69   2.095   2.434  13.603
  379   3HD1  ILE  69          3HD1      ILE  69   1.209   1.559  14.850
  380    H    ARG  70           H        ARG  70  -2.097   4.806  16.891
  381    HA   ARG  70           HA       ARG  70  -4.113   5.611  14.948
  382   1HB   ARG  70          1HB       ARG  70  -4.062   4.291  17.616
  383   2HB   ARG  70          2HB       ARG  70  -5.528   5.192  17.267
  384   1HG   ARG  70          1HG       ARG  70  -5.776   3.941  15.143
  385   2HG   ARG  70          2HG       ARG  70  -4.321   3.024  15.524
  386   1HD   ARG  70          1HD       ARG  70  -5.414   2.225  17.618
  387   2HD   ARG  70          2HD       ARG  70  -6.884   3.078  17.146
  388    HE   ARG  70           HE       ARG  70  -6.002   0.532  16.094
  389   1HH1  ARG  70          1HH1      ARG  70  -7.569   3.515  15.365
  390   2HH1  ARG  70          2HH1      ARG  70  -8.526   2.852  14.083
  391   1HH2  ARG  70          1HH2      ARG  70  -7.243  -0.351  14.423
  392   2HH2  ARG  70          2HH2      ARG  70  -8.341   0.664  13.549
  393    H    GLU  71           H        GLU  71  -2.672   7.106  17.806
  394    HA   GLU  71           HA       GLU  71  -4.688   9.267  17.801
  395   1HB   GLU  71          1HB       GLU  71  -3.694   8.297  19.921
  396   2HB   GLU  71          2HB       GLU  71  -2.170   9.059  19.467
  397   1HG   GLU  71          1HG       GLU  71  -3.248  11.259  19.446
  398   2HG   GLU  71          2HG       GLU  71  -4.804  10.519  19.824
  399    H    ASP  72           H        ASP  72  -1.312   8.749  16.902
  400    HA   ASP  72           HA       ASP  72  -1.382  11.174  15.255
  401   1HB   ASP  72          1HB       ASP  72  -0.741  11.828  17.672
  402   2HB   ASP  72          2HB       ASP  72   0.778  10.997  17.355
  403    HA   PRO  73           HA       PRO  73   1.325   7.848  13.578
  404   1HB   PRO  73          1HB       PRO  73   0.812   8.224  10.933
  405   2HB   PRO  73          2HB       PRO  73  -0.297   7.348  12.005
  406   1HG   PRO  73          1HG       PRO  73  -0.442  10.166  11.020
  407   2HG   PRO  73          2HG       PRO  73  -1.737   8.973  11.206
  408   1HD   PRO  73          1HD       PRO  73  -1.233  10.993  13.023
  409   2HD   PRO  73          2HD       PRO  73  -2.030   9.466  13.454
  410    H    ASP  74           H        ASP  74   1.601  11.184  13.512
  411    HA   ASP  74           HA       ASP  74   3.889  11.281  11.642
  412   1HB   ASP  74          1HB       ASP  74   3.940  13.682  12.191
  413   2HB   ASP  74          2HB       ASP  74   2.315  13.178  11.728
  414    H    SER  75           H        SER  75   3.315  11.598  15.155
  415    HA   SER  75           HA       SER  75   6.098  12.084  15.792
  416   1HB   SER  75          1HB       SER  75   4.019  10.903  17.646
  417   2HB   SER  75          2HB       SER  75   5.426  11.878  18.071
  418    HG   SER  75           HG       SER  75   3.558  12.955  16.305
  419    H    VAL  76           H        VAL  76   5.361   9.610  14.125
  420    HA   VAL  76           HA       VAL  76   6.735   7.576  15.844
  421    HB   VAL  76           HB       VAL  76   4.870   6.831  13.593
  422   1HG1  VAL  76          1HG1      VAL  76   6.415   5.197  14.885
  423   2HG1  VAL  76          2HG1      VAL  76   4.717   4.758  14.720
  424   3HG1  VAL  76          3HG1      VAL  76   5.305   5.430  16.239
  425   1HG2  VAL  76          1HG2      VAL  76   3.470   8.276  14.869
  426   2HG2  VAL  76          2HG2      VAL  76   4.129   7.687  16.395
  427   3HG2  VAL  76          3HG2      VAL  76   3.091   6.645  15.422
  428    HA   PRO  77           HA       PRO  77   9.387   8.267  12.172
  429   1HB   PRO  77          1HB       PRO  77  11.765   7.453  13.300
  430   2HB   PRO  77          2HB       PRO  77  11.081   9.074  13.497
  431   1HG   PRO  77          1HG       PRO  77  11.126   6.774  15.382
  432   2HG   PRO  77          2HG       PRO  77  11.176   8.510  15.722
  433   1HD   PRO  77          1HD       PRO  77   8.907   6.861  15.954
  434   2HD   PRO  77          2HD       PRO  77   8.879   8.635  15.882
  435    HA   PRO  78           HA       PRO  78   9.681   4.140  10.539
  436   1HB   PRO  78          1HB       PRO  78  11.686   4.376   8.710
  437   2HB   PRO  78          2HB       PRO  78  10.115   5.169   8.506
  438   1HG   PRO  78          1HG       PRO  78  12.704   6.308   9.482
  439   2HG   PRO  78          2HG       PRO  78  11.527   7.003   8.357
  440   1HD   PRO  78          1HD       PRO  78  11.664   7.704  11.010
  441   2HD   PRO  78          2HD       PRO  78  10.166   7.783  10.070
  442    H    ILE  79           H        ILE  79  11.313   2.320  10.089
  443    HA   ILE  79           HA       ILE  79  13.403   2.273  12.250
  444    HB   ILE  79           HB       ILE  79  13.104  -0.281  11.959
  445   1HG1  ILE  79          1HG1      ILE  79  10.375   0.484  10.904
  446   2HG1  ILE  79          2HG1      ILE  79  11.708   0.204   9.783
  447   1HG2  ILE  79          1HG2      ILE  79  11.049   1.573  13.165
  448   2HG2  ILE  79          2HG2      ILE  79  12.318   0.658  13.981
  449   3HG2  ILE  79          3HG2      ILE  79  10.907  -0.176  13.331
  450   1HD1  ILE  79          1HD1      ILE  79  12.062  -2.032  10.796
  451   2HD1  ILE  79          2HD1      ILE  79  10.443  -1.863  10.117
  452   3HD1  ILE  79          3HD1      ILE  79  10.684  -1.751  11.860
  453    H    ASP  80           H        ASP  80  15.280   0.782  11.691
  454    HA   ASP  80           HA       ASP  80  16.188   1.393   8.939
  455   1HB   ASP  80          1HB       ASP  80  17.613   1.679  11.081
  456   2HB   ASP  80          2HB       ASP  80  17.767  -0.077  11.057
  457    H    VAL  81           H        VAL  81  16.384  -0.157   7.365
  458    HA   VAL  81           HA       VAL  81  16.114  -3.033   8.114
  459    HB   VAL  81           HB       VAL  81  14.326  -1.440   6.268
  460   1HG1  VAL  81          1HG1      VAL  81  13.416  -3.693   5.530
  461   2HG1  VAL  81          2HG1      VAL  81  14.880  -4.416   6.190
  462   3HG1  VAL  81          3HG1      VAL  81  14.988  -3.267   4.857
  463   1HG2  VAL  81          1HG2      VAL  81  13.576  -1.750   8.568
  464   2HG2  VAL  81          2HG2      VAL  81  13.857  -3.488   8.457
  465   3HG2  VAL  81          3HG2      VAL  81  12.580  -2.736   7.498
  466    H    LEU  82           H        LEU  82  17.345  -4.377   6.847
  467    HA   LEU  82           HA       LEU  82  19.218  -3.085   4.974
  468   1HB   LEU  82          1HB       LEU  82  18.999  -6.002   5.766
  469   2HB   LEU  82          2HB       LEU  82  20.360  -5.239   4.950
  470    HG   LEU  82           HG       LEU  82  19.403  -4.274   7.655
  471   1HD1  LEU  82          1HD1      LEU  82  21.065  -5.707   8.703
  472   2HD1  LEU  82          2HD1      LEU  82  21.549  -6.348   7.133
  473   3HD1  LEU  82          3HD1      LEU  82  19.947  -6.708   7.776
  474   1HD2  LEU  82          1HD2      LEU  82  20.896  -2.740   6.552
  475   2HD2  LEU  82          2HD2      LEU  82  21.986  -4.045   6.086
  476   3HD2  LEU  82          3HD2      LEU  82  21.838  -3.583   7.779
  477    H    TRP  83           H        TRP  83  19.287  -3.454   2.781
  478    HA   TRP  83           HA       TRP  83  17.033  -5.018   1.562
  479   1HB   TRP  83          1HB       TRP  83  16.682  -2.641   1.310
  480   2HB   TRP  83          2HB       TRP  83  18.332  -2.400   0.800
  481    HD1  TRP  83           HD1      TRP  83  16.438  -5.336  -0.733
  482    HE1  TRP  83           HE1      TRP  83  15.947  -4.780  -3.213
  483    HE3  TRP  83           HE3      TRP  83  17.890  -0.439  -0.845
  484    HZ2  TRP  83           HZ2      TRP  83  16.142  -2.538  -4.989
  485    HZ3  TRP  83           HZ3      TRP  83  17.736   0.874  -2.937
  486    HH2  TRP  83           HH2      TRP  83  16.875  -0.174  -5.009
  487    H    ILE  84           H        ILE  84  18.004  -6.854   0.775
  488    HA   ILE  84           HA       ILE  84  20.553  -6.550  -0.792
  489    HB   ILE  84           HB       ILE  84  19.794  -8.918   0.944
  490   1HG1  ILE  84          1HG1      ILE  84  21.678  -6.601   1.484
  491   2HG1  ILE  84          2HG1      ILE  84  20.194  -6.963   2.364
  492   1HG2  ILE  84          1HG2      ILE  84  22.033  -9.678   0.532
  493   2HG2  ILE  84          2HG2      ILE  84  22.481  -8.147  -0.220
  494   3HG2  ILE  84          3HG2      ILE  84  21.366  -9.241  -1.040
  495   1HD1  ILE  84          1HD1      ILE  84  21.975  -7.843   3.692
  496   2HD1  ILE  84          2HD1      ILE  84  22.744  -8.587   2.290
  497   3HD1  ILE  84          3HD1      ILE  84  21.223  -9.232   2.907
  498    H    LYS  85           H        LYS  85  20.723  -7.846  -2.642
  499    HA   LYS  85           HA       LYS  85  18.160  -9.084  -3.579
  500   1HB   LYS  85          1HB       LYS  85  20.441  -7.679  -4.952
  501   2HB   LYS  85          2HB       LYS  85  19.490  -8.850  -5.864
  502   1HG   LYS  85          1HG       LYS  85  17.445  -7.634  -5.337
  503   2HG   LYS  85          2HG       LYS  85  18.366  -6.498  -4.352
  504   1HD   LYS  85          1HD       LYS  85  19.438  -5.539  -6.212
  505   2HD   LYS  85          2HD       LYS  85  19.075  -6.919  -7.243
  506   1HE   LYS  85          1HE       LYS  85  17.610  -5.118  -7.893
  507   2HE   LYS  85          2HE       LYS  85  16.630  -6.316  -7.057
  508   1HZ   LYS  85          1HZ       LYS  85  17.307  -4.857  -5.004
  509   2HZ   LYS  85          2HZ       LYS  85  15.983  -4.442  -5.987
  510   3HZ   LYS  85          3HZ       LYS  85  17.478  -3.657  -6.192
  511    H    GLY  86           H        GLY  86  18.309 -11.048  -4.819
  512   1HA   GLY  86          1HA       GLY  86  20.457 -12.837  -3.810
  513   2HA   GLY  86          2HA       GLY  86  18.920 -13.357  -4.492
  514    H    ALA  87           H        ALA  87  20.481 -14.788  -5.695
  515    HA   ALA  87           HA       ALA  87  22.201 -13.679  -7.721
  516   1HB   ALA  87          1HB       ALA  87  22.001 -16.095  -8.646
  517   2HB   ALA  87          2HB       ALA  87  21.042 -16.416  -7.200
  518   3HB   ALA  87          3HB       ALA  87  22.715 -15.882  -7.048
  519    H    GLN  88           H        GLN  88  18.813 -13.781  -7.569
  520    HA   GLN  88           HA       GLN  88  18.638 -13.523 -10.558
  521   1HB   GLN  88          1HB       GLN  88  16.502 -14.756  -8.805
  522   2HB   GLN  88          2HB       GLN  88  16.573 -14.736 -10.569
  523   1HG   GLN  88          1HG       GLN  88  18.791 -15.998 -10.346
  524   2HG   GLN  88          2HG       GLN  88  18.363 -16.246  -8.654
  525   1HE2  GLN  88          1HE2      GLN  88  18.464 -18.629  -9.640
  526   2HE2  GLN  88          2HE2      GLN  88  16.985 -19.234 -10.203
  527    H    GLY  89           H        GLY  89  18.894 -11.396  -8.550
  528   1HA   GLY  89          1HA       GLY  89  17.982  -9.238  -8.369
  529   2HA   GLY  89          2HA       GLY  89  16.739  -9.720  -9.510
  530    H    GLY  90           H        GLY  90  16.296 -12.067  -7.427
  531   1HA   GLY  90          1HA       GLY  90  13.938 -11.142  -6.287
  532   2HA   GLY  90          2HA       GLY  90  14.900 -12.435  -5.584
  533    H    ASP  91           H        ASP  91  13.800  -9.281  -5.167
  534    HA   ASP  91           HA       ASP  91  15.936  -8.350  -3.420
  535   1HB   ASP  91          1HB       ASP  91  13.201  -7.350  -4.187
  536   2HB   ASP  91          2HB       ASP  91  13.997  -6.666  -2.778
  537    H    TYR  92           H        TYR  92  16.076  -8.639  -1.253
  538    HA   TYR  92           HA       TYR  92  13.783  -9.940   0.186
  539   1HB   TYR  92          1HB       TYR  92  16.746 -10.568   0.437
  540   2HB   TYR  92          2HB       TYR  92  15.474 -11.257   1.447
  541    HD1  TYR  92           HD1      TYR  92  17.042 -11.270  -1.878
  542    HD2  TYR  92           HD2      TYR  92  13.791 -12.805   0.475
  543    HE1  TYR  92           HE1      TYR  92  16.607 -12.995  -3.595
  544    HE2  TYR  92           HE2      TYR  92  13.361 -14.530  -1.246
  545    HH   TYR  92           HH       TYR  92  15.234 -15.614  -3.268
  546    H    PHE  93           H        PHE  93  13.183  -8.750   1.944
  547    HA   PHE  93           HA       PHE  93  14.992  -6.574   2.854
  548   1HB   PHE  93          1HB       PHE  93  12.036  -7.016   3.394
  549   2HB   PHE  93          2HB       PHE  93  12.971  -5.588   3.807
  550    HD1  PHE  93           HD1      PHE  93  14.071  -4.240   1.914
  551    HD2  PHE  93           HD2      PHE  93  11.096  -7.264   1.220
  552    HE1  PHE  93           HE1      PHE  93  13.677  -3.343  -0.360
  553    HE2  PHE  93           HE2      PHE  93  10.706  -6.360  -1.051
  554    HZ   PHE  93           HZ       PHE  93  11.999  -4.398  -1.843
  555    H    TYR  94           H        TYR  94  16.128  -6.913   4.632
  556    HA   TYR  94           HA       TYR  94  15.202  -8.908   6.656
  557   1HB   TYR  94          1HB       TYR  94  17.866  -8.041   5.611
  558   2HB   TYR  94          2HB       TYR  94  17.796  -8.443   7.324
  559    HD1  TYR  94           HD1      TYR  94  17.426 -10.688   8.080
  560    HD2  TYR  94           HD2      TYR  94  17.295  -9.729   3.897
  561    HE1  TYR  94           HE1      TYR  94  17.465 -13.102   7.519
  562    HE2  TYR  94           HE2      TYR  94  17.339 -12.139   3.341
  563    HH   TYR  94           HH       TYR  94  17.491 -14.208   4.128
  564    H    SER  95           H        SER  95  14.638  -8.176   8.630
  565    HA   SER  95           HA       SER  95  15.425  -5.383   9.413
  566   1HB   SER  95          1HB       SER  95  12.906  -5.972   8.859
  567   2HB   SER  95          2HB       SER  95  12.929  -6.686  10.469
  568    HG   SER  95           HG       SER  95  12.654  -4.731  11.137
  569    H    PHE  96           H        PHE  96  16.556  -5.290  11.270
  570    HA   PHE  96           HA       PHE  96  16.422  -7.584  13.203
  571   1HB   PHE  96          1HB       PHE  96  18.807  -6.030  12.168
  572   2HB   PHE  96          2HB       PHE  96  18.855  -6.917  13.691
  573    HD1  PHE  96           HD1      PHE  96  19.267  -7.167  10.167
  574    HD2  PHE  96           HD2      PHE  96  18.064  -9.402  13.612
  575    HE1  PHE  96           HE1      PHE  96  19.719  -9.269   8.951
  576    HE2  PHE  96           HE2      PHE  96  18.503 -11.519  12.397
  577    HZ   PHE  96           HZ       PHE  96  19.331 -11.450  10.060
  578    H    GLY  97           H        GLY  97  14.875  -6.289  14.348
  579   1HA   GLY  97          1HA       GLY  97  15.277  -4.980  16.572
  580   2HA   GLY  97          2HA       GLY  97  15.832  -3.706  15.487
  581    H    GLY  98           H        GLY  98  14.019  -2.391  16.276
  582   1HA   GLY  98          1HA       GLY  98  11.788  -1.611  16.205
  583   2HA   GLY  98          2HA       GLY  98  11.867  -2.185  14.544
  584    H    CYS  99           H        CYS  99  12.194  -4.442  17.206
  585    HA   CYS  99           HA       CYS  99  10.172  -6.168  16.215
  586   1HB   CYS  99          1HB       CYS  99  10.952  -6.095  19.128
  587   2HB   CYS  99          2HB       CYS  99  10.577  -7.491  18.116
  588    HG   CYS  99           HG       CYS  99  13.079  -7.589  17.986
  589    H    HIS 100           H        HIS 100  10.022  -4.022  19.093
  590    HA   HIS 100           HA       HIS 100   7.251  -4.506  19.590
  591   1HB   HIS 100          1HB       HIS 100   9.144  -2.283  20.356
  592   2HB   HIS 100          2HB       HIS 100   7.441  -2.218  20.803
  593    HD1  HIS 100           HD1      HIS 100  10.394  -4.612  21.132
  594    HD2  HIS 100           HD2      HIS 100   6.846  -3.643  23.096
  595    HE1  HIS 100           HE1      HIS 100  10.347  -5.999  23.252
  596    H    ARG 101           H        ARG 101   8.784  -1.670  17.988
  597    HA   ARG 101           HA       ARG 101   6.384  -0.401  17.233
  598   1HB   ARG 101          1HB       ARG 101   9.105  -0.467  15.901
  599   2HB   ARG 101          2HB       ARG 101   7.777   0.499  15.265
  600   1HG   ARG 101          1HG       ARG 101   7.732   1.913  17.131
  601   2HG   ARG 101          2HG       ARG 101   8.486   0.717  18.183
  602   1HD   ARG 101          1HD       ARG 101  10.086   2.488  17.706
  603   2HD   ARG 101          2HD       ARG 101  10.618   0.998  16.933
  604    HE   ARG 101           HE       ARG 101   9.099   2.373  15.008
  605   1HH1  ARG 101          1HH1      ARG 101  11.914   2.824  16.945
  606   2HH1  ARG 101          2HH1      ARG 101  12.712   3.838  15.790
  607   1HH2  ARG 101          1HH2      ARG 101  10.129   3.697  13.484
  608   2HH2  ARG 101          2HH2      ARG 101  11.702   4.331  13.832
  609    H    TYR 102           H        TYR 102   7.961  -3.218  15.869
  610    HA   TYR 102           HA       TYR 102   6.387  -3.283  13.425
  611   1HB   TYR 102          1HB       TYR 102   8.362  -4.528  13.256
  612   2HB   TYR 102          2HB       TYR 102   8.207  -5.205  14.865
  613    HD1  TYR 102           HD1      TYR 102   6.585  -5.276  11.479
  614    HD2  TYR 102           HD2      TYR 102   7.333  -7.364  15.160
  615    HE1  TYR 102           HE1      TYR 102   5.589  -7.331  10.519
  616    HE2  TYR 102           HE2      TYR 102   6.331  -9.413  14.202
  617    HH   TYR 102           HH       TYR 102   5.426  -9.604  10.810
  618    H    ALA 103           H        ALA 103   6.144  -4.897  16.593
  619    HA   ALA 103           HA       ALA 103   3.873  -6.493  16.044
  620   1HB   ALA 103          1HB       ALA 103   5.016  -6.864  18.102
  621   2HB   ALA 103          2HB       ALA 103   3.426  -6.242  18.549
  622   3HB   ALA 103          3HB       ALA 103   4.833  -5.179  18.589
  623    H    ALA 104           H        ALA 104   4.032  -3.157  17.318
  624    HA   ALA 104           HA       ALA 104   1.257  -2.762  17.639
  625   1HB   ALA 104          1HB       ALA 104   3.498  -0.848  16.972
  626   2HB   ALA 104          2HB       ALA 104   2.707  -1.097  18.529
  627   3HB   ALA 104          3HB       ALA 104   1.840  -0.297  17.218
  628    H    TYR 105           H        TYR 105   3.283  -2.217  14.748
  629    HA   TYR 105           HA       TYR 105   1.144  -1.212  13.127
  630   1HB   TYR 105          1HB       TYR 105   3.926  -2.181  12.728
  631   2HB   TYR 105          2HB       TYR 105   2.885  -2.357  11.326
  632    HD1  TYR 105           HD1      TYR 105   4.741  -0.038  13.399
  633    HD2  TYR 105           HD2      TYR 105   1.678  -0.338  10.406
  634    HE1  TYR 105           HE1      TYR 105   5.012   2.371  12.884
  635    HE2  TYR 105           HE2      TYR 105   1.946   2.073   9.890
  636    HH   TYR 105           HH       TYR 105   2.838   4.025  10.649
  637    H    GLN 106           H        GLN 106   2.350  -4.505  13.752
  638    HA   GLN 106           HA       GLN 106   0.750  -5.790  11.763
  639   1HB   GLN 106          1HB       GLN 106   2.735  -6.779  12.963
  640   2HB   GLN 106          2HB       GLN 106   1.711  -6.946  14.387
  641   1HG   GLN 106          1HG       GLN 106   0.089  -8.221  12.852
  642   2HG   GLN 106          2HG       GLN 106   1.424  -8.318  11.711
  643   1HE2  GLN 106          1HE2      GLN 106   3.170  -9.820  12.239
  644   2HE2  GLN 106          2HE2      GLN 106   3.139 -10.795  13.621
  645    H    GLN 107           H        GLN 107   0.117  -4.767  15.085
  646    HA   GLN 107           HA       GLN 107  -2.317  -6.294  15.387
  647   1HB   GLN 107          1HB       GLN 107  -1.118  -5.528  17.353
  648   2HB   GLN 107          2HB       GLN 107  -1.281  -3.847  16.845
  649   1HG   GLN 107          1HG       GLN 107  -3.584  -3.792  17.301
  650   2HG   GLN 107          2HG       GLN 107  -3.741  -5.544  17.222
  651   1HE2  GLN 107          1HE2      GLN 107  -4.690  -5.657  19.383
  652   2HE2  GLN 107          2HE2      GLN 107  -3.751  -5.397  20.773
  653    H    LEU 108           H        LEU 108  -1.591  -3.020  14.241
  654    HA   LEU 108           HA       LEU 108  -4.399  -2.265  14.087
  655   1HB   LEU 108          1HB       LEU 108  -1.894  -1.043  12.904
  656   2HB   LEU 108          2HB       LEU 108  -3.493  -0.311  12.780
  657    HG   LEU 108           HG       LEU 108  -2.146  -1.035  15.405
  658   1HD1  LEU 108          1HD1      LEU 108  -1.061   0.836  13.985
  659   2HD1  LEU 108          2HD1      LEU 108  -1.483   1.220  15.653
  660   3HD1  LEU 108          3HD1      LEU 108  -2.522   1.761  14.334
  661   1HD2  LEU 108          1HD2      LEU 108  -4.389  -0.922  15.967
  662   2HD2  LEU 108          2HD2      LEU 108  -4.785   0.178  14.649
  663   3HD2  LEU 108          3HD2      LEU 108  -3.988   0.786  16.096
  664    H    GLN 109           H        GLN 109  -3.090  -4.660  12.546
  665    HA   GLN 109           HA       GLN 109  -3.297  -5.640  10.414
  666   1HB   GLN 109          1HB       GLN 109  -5.901  -4.101  10.365
  667   2HB   GLN 109          2HB       GLN 109  -5.551  -5.658   9.614
  668   1HG   GLN 109          1HG       GLN 109  -5.078  -6.525  11.977
  669   2HG   GLN 109          2HG       GLN 109  -5.813  -5.033  12.562
  670   1HE2  GLN 109          1HE2      GLN 109  -6.482  -8.173  11.191
  671   2HE2  GLN 109          2HE2      GLN 109  -8.171  -8.015  11.140
  672    H    ARG 110           H        ARG 110  -1.984  -2.965  10.439
  673    HA   ARG 110           HA       ARG 110  -2.916  -1.400   8.224
  674   1HB   ARG 110          1HB       ARG 110  -0.190  -1.712   9.505
  675   2HB   ARG 110          2HB       ARG 110  -0.492  -0.584   8.188
  676   1HG   ARG 110          1HG       ARG 110  -2.247  -0.529  10.649
  677   2HG   ARG 110          2HG       ARG 110  -0.670   0.254  10.680
  678   1HD   ARG 110          1HD       ARG 110  -1.332   1.540   8.622
  679   2HD   ARG 110          2HD       ARG 110  -2.948   0.851   8.768
  680    HE   ARG 110           HE       ARG 110  -2.383   1.991  11.266
  681   1HH1  ARG 110          1HH1      ARG 110  -2.593   2.944   7.959
  682   2HH1  ARG 110          2HH1      ARG 110  -3.110   4.558   8.319
  683   1HH2  ARG 110          1HH2      ARG 110  -3.058   4.092  11.755
  684   2HH2  ARG 110          2HH2      ARG 110  -3.373   5.208  10.468
  685    H    GLU 111           H        GLU 111  -1.882  -1.278   6.102
  686    HA   GLU 111           HA       GLU 111  -1.442  -3.968   5.003
  687   1HB   GLU 111          1HB       GLU 111  -1.763  -1.208   3.830
  688   2HB   GLU 111          2HB       GLU 111  -1.136  -2.517   2.828
  689   1HG   GLU 111          1HG       GLU 111  -3.121  -3.804   3.084
  690   2HG   GLU 111          2HG       GLU 111  -3.691  -2.807   4.422
  691    H    THR 112           H        THR 112   0.496  -0.966   5.361
  692    HA   THR 112           HA       THR 112   2.957  -2.651   4.959
  693    HB   THR 112           HB       THR 112   3.943  -0.648   3.798
  694    HG1  THR 112           HG1      THR 112   2.538   0.921   4.519
  695   1HG2  THR 112          1HG2      THR 112   3.413  -1.915   1.993
  696   2HG2  THR 112          2HG2      THR 112   1.927  -0.983   1.868
  697   3HG2  THR 112          3HG2      THR 112   1.936  -2.504   2.758
  698    H    ILE 113           H        ILE 113   4.940  -1.196   5.617
  699    HA   ILE 113           HA       ILE 113   4.268   0.446   8.022
  700    HB   ILE 113           HB       ILE 113   4.862  -1.882   8.725
  701   1HG1  ILE 113          1HG1      ILE 113   6.899   0.232   9.475
  702   2HG1  ILE 113          2HG1      ILE 113   5.263   0.160  10.127
  703   1HG2  ILE 113          1HG2      ILE 113   7.661  -1.191   7.811
  704   2HG2  ILE 113          2HG2      ILE 113   6.561  -2.114   6.790
  705   3HG2  ILE 113          3HG2      ILE 113   7.049  -2.750   8.362
  706   1HD1  ILE 113          1HD1      ILE 113   6.597  -0.963  11.739
  707   2HD1  ILE 113          2HD1      ILE 113   7.529  -1.804  10.501
  708   3HD1  ILE 113          3HD1      ILE 113   5.856  -2.265  10.809
  709    HA   PRO 114           HA       PRO 114   7.443   2.983   6.058
  710   1HB   PRO 114          1HB       PRO 114   7.907   4.377   8.628
  711   2HB   PRO 114          2HB       PRO 114   7.256   5.021   7.111
  712   1HG   PRO 114          1HG       PRO 114   5.738   4.661   9.323
  713   2HG   PRO 114          2HG       PRO 114   5.088   4.508   7.682
  714   1HD   PRO 114          1HD       PRO 114   5.901   2.339   9.608
  715   2HD   PRO 114          2HD       PRO 114   4.492   2.429   8.536
  716    H    ALA 115           H        ALA 115   9.575   2.482   5.767
  717    HA   ALA 115           HA       ALA 115  11.311   1.871   8.069
  718   1HB   ALA 115          1HB       ALA 115  10.299  -0.318   7.586
  719   2HB   ALA 115          2HB       ALA 115  12.005  -0.321   7.140
  720   3HB   ALA 115          3HB       ALA 115  10.768  -0.173   5.892
  721    H    LYS 116           H        LYS 116  13.376   2.520   7.632
  722    HA   LYS 116           HA       LYS 116  13.901   3.795   5.066
  723   1HB   LYS 116          1HB       LYS 116  14.788   4.352   7.539
  724   2HB   LYS 116          2HB       LYS 116  16.115   3.310   7.045
  725   1HG   LYS 116          1HG       LYS 116  15.113   5.747   5.551
  726   2HG   LYS 116          2HG       LYS 116  16.583   5.677   6.521
  727   1HD   LYS 116          1HD       LYS 116  17.332   3.764   5.009
  728   2HD   LYS 116          2HD       LYS 116  15.981   4.186   3.957
  729   1HE   LYS 116          1HE       LYS 116  17.834   5.388   3.078
  730   2HE   LYS 116          2HE       LYS 116  16.921   6.583   3.996
  731   1HZ   LYS 116          1HZ       LYS 116  19.427   6.455   4.361
  732   2HZ   LYS 116          2HZ       LYS 116  19.108   5.038   5.242
  733   3HZ   LYS 116          3HZ       LYS 116  18.436   6.518   5.736
  734    H    LEU 117           H        LEU 117  14.558   2.661   3.325
  735    HA   LEU 117           HA       LEU 117  15.572  -0.066   3.603
  736   1HB   LEU 117          1HB       LEU 117  15.502   1.682   1.124
  737   2HB   LEU 117          2HB       LEU 117  15.734  -0.063   1.163
  738    HG   LEU 117           HG       LEU 117  13.237   1.447   2.000
  739   1HD1  LEU 117          1HD1      LEU 117  13.296   1.298  -0.375
  740   2HD1  LEU 117          2HD1      LEU 117  12.289  -0.062   0.130
  741   3HD1  LEU 117          3HD1      LEU 117  13.968  -0.330  -0.335
  742   1HD2  LEU 117          1HD2      LEU 117  12.353  -1.011   2.116
  743   2HD2  LEU 117          2HD2      LEU 117  13.269  -0.382   3.481
  744   3HD2  LEU 117          3HD2      LEU 117  14.053  -1.441   2.307
  745    H    VAL 118           H        VAL 118  17.668  -0.755   3.422
  746    HA   VAL 118           HA       VAL 118  19.795   1.289   2.919
  747    HB   VAL 118           HB       VAL 118  19.601  -0.708   5.193
  748   1HG1  VAL 118          1HG1      VAL 118  21.948   0.909   4.183
  749   2HG1  VAL 118          2HG1      VAL 118  21.864  -0.836   4.427
  750   3HG1  VAL 118          3HG1      VAL 118  21.871   0.250   5.816
  751   1HG2  VAL 118          1HG2      VAL 118  19.656   1.209   6.612
  752   2HG2  VAL 118          2HG2      VAL 118  18.497   1.596   5.340
  753   3HG2  VAL 118          3HG2      VAL 118  20.126   2.269   5.284
  754    H    GLN 119           H        GLN 119  20.454   0.495   0.934
  755    HA   GLN 119           HA       GLN 119  20.499  -2.215   0.129
  756   1HB   GLN 119          1HB       GLN 119  20.862  -0.199  -1.362
  757   2HB   GLN 119          2HB       GLN 119  22.501  -0.096  -0.726
  758   1HG   GLN 119          1HG       GLN 119  21.512  -2.707  -1.882
  759   2HG   GLN 119          2HG       GLN 119  22.043  -1.427  -2.959
  760   1HE2  GLN 119          1HE2      GLN 119  23.132  -3.817  -0.662
  761   2HE2  GLN 119          2HE2      GLN 119  24.789  -3.522  -0.853
  762    H    SER 120           H        SER 120  21.813  -3.907   0.669
  763    HA   SER 120           HA       SER 120  24.445  -3.342   1.974
  764   1HB   SER 120          1HB       SER 120  22.138  -4.938   3.064
  765   2HB   SER 120          2HB       SER 120  23.781  -5.334   3.537
  766    HG   SER 120           HG       SER 120  22.300  -2.999   3.999
  767    H    THR 121           H        THR 121  25.497  -5.676   2.356
  768    HA   THR 121           HA       THR 121  25.186  -7.234  -0.193
  769    HB   THR 121           HB       THR 121  27.659  -7.781   0.215
  770    HG1  THR 121           HG1      THR 121  28.732  -6.267   1.516
  771   1HG2  THR 121          1HG2      THR 121  27.053  -6.292  -1.572
  772   2HG2  THR 121          2HG2      THR 121  28.384  -5.533  -0.697
  773   3HG2  THR 121          3HG2      THR 121  26.730  -4.977  -0.441
  774    H    LEU 122           H        LEU 122  25.767  -9.538   0.018
  775    HA   LEU 122           HA       LEU 122  24.444 -10.807   2.158
  776   1HB   LEU 122          1HB       LEU 122  25.074 -11.890  -0.042
  777   2HB   LEU 122          2HB       LEU 122  26.720 -12.023   0.567
  778    HG   LEU 122           HG       LEU 122  25.812 -13.321   2.532
  779   1HD1  LEU 122          1HD1      LEU 122  23.537 -12.865   2.743
  780   2HD1  LEU 122          2HD1      LEU 122  23.464 -14.389   1.871
  781   3HD1  LEU 122          3HD1      LEU 122  23.259 -12.872   1.004
  782   1HD2  LEU 122          1HD2      LEU 122  25.429 -14.323  -0.295
  783   2HD2  LEU 122          2HD2      LEU 122  25.270 -15.381   1.108
  784   3HD2  LEU 122          3HD2      LEU 122  26.810 -14.585   0.772
  785    H    SER 123           H        SER 123  27.848  -9.840   1.890
  786    HA   SER 123           HA       SER 123  28.920 -11.261   4.076
  787   1HB   SER 123          1HB       SER 123  29.576  -8.371   3.454
  788   2HB   SER 123          2HB       SER 123  30.638  -9.594   4.151
  789    HG   SER 123           HG       SER 123  30.590 -10.698   2.196
  790    H    ASP 124           H        ASP 124  27.215  -8.116   4.066
  791    HA   ASP 124           HA       ASP 124  27.397  -7.555   6.832
  792   1HB   ASP 124          1HB       ASP 124  26.482  -5.913   5.295
  793   2HB   ASP 124          2HB       ASP 124  25.146  -6.984   4.876
  794    H    LEU 125           H        LEU 125  25.043  -9.566   5.038
  795    HA   LEU 125           HA       LEU 125  23.443 -10.179   7.325
  796   1HB   LEU 125          1HB       LEU 125  23.196 -10.709   4.647
  797   2HB   LEU 125          2HB       LEU 125  23.657 -12.300   5.232
  798    HG   LEU 125           HG       LEU 125  21.819 -12.125   6.949
  799   1HD1  LEU 125          1HD1      LEU 125  19.984 -10.386   6.027
  800   2HD1  LEU 125          2HD1      LEU 125  21.430  -9.506   5.539
  801   3HD1  LEU 125          3HD1      LEU 125  21.177  -9.918   7.231
  802   1HD2  LEU 125          1HD2      LEU 125  20.948 -11.890   4.056
  803   2HD2  LEU 125          2HD2      LEU 125  20.058 -12.686   5.354
  804   3HD2  LEU 125          3HD2      LEU 125  21.594 -13.353   4.800
  805    H    ARG 126           H        ARG 126  26.453 -11.561   6.110
  806    HA   ARG 126           HA       ARG 126  26.458 -13.928   7.743
  807   1HB   ARG 126          1HB       ARG 126  28.032 -13.394   5.812
  808   2HB   ARG 126          2HB       ARG 126  28.871 -12.289   6.900
  809   1HG   ARG 126          1HG       ARG 126  29.020 -14.346   8.500
  810   2HG   ARG 126          2HG       ARG 126  28.650 -15.294   7.058
  811   1HD   ARG 126          1HD       ARG 126  30.576 -14.025   5.927
  812   2HD   ARG 126          2HD       ARG 126  31.030 -13.498   7.548
  813    HE   ARG 126           HE       ARG 126  31.381 -16.181   6.462
  814   1HH1  ARG 126          1HH1      ARG 126  30.899 -14.229   9.262
  815   2HH1  ARG 126          2HH1      ARG 126  31.637 -15.363  10.343
  816   1HH2  ARG 126          1HH2      ARG 126  32.347 -17.674   7.857
  817   2HH2  ARG 126          2HH2      ARG 126  32.457 -17.313   9.548
  818    H    VAL 127           H        VAL 127  27.347 -10.564   8.382
  819    HA   VAL 127           HA       VAL 127  28.689 -10.978  10.863
  820    HB   VAL 127           HB       VAL 127  26.976  -8.631   9.984
  821   1HG1  VAL 127          1HG1      VAL 127  28.418  -7.405  11.651
  822   2HG1  VAL 127          2HG1      VAL 127  29.024  -8.970  12.194
  823   3HG1  VAL 127          3HG1      VAL 127  27.317  -8.571  12.383
  824   1HG2  VAL 127          1HG2      VAL 127  29.175  -7.637   9.384
  825   2HG2  VAL 127          2HG2      VAL 127  28.830  -9.086   8.441
  826   3HG2  VAL 127          3HG2      VAL 127  29.957  -9.163   9.794
  827    H    TYR 128           H        TYR 128  25.262 -10.769   9.987
  828    HA   TYR 128           HA       TYR 128  24.439 -10.926  12.837
  829   1HB   TYR 128          1HB       TYR 128  22.813 -10.902  10.280
  830   2HB   TYR 128          2HB       TYR 128  22.134 -10.904  11.905
  831    HD1  TYR 128           HD1      TYR 128  23.633  -8.903   9.289
  832    HD2  TYR 128           HD2      TYR 128  22.615  -8.976  13.458
  833    HE1  TYR 128           HE1      TYR 128  23.825  -6.435   9.376
  834    HE2  TYR 128           HE2      TYR 128  22.813  -6.506  13.550
  835    HH   TYR 128           HH       TYR 128  22.875  -4.618  12.225
  836    H    LEU 129           H        LEU 129  24.088 -12.913   9.892
  837    HA   LEU 129           HA       LEU 129  23.455 -15.282  11.613
  838   1HB   LEU 129          1HB       LEU 129  22.719 -14.698   8.737
  839   2HB   LEU 129          2HB       LEU 129  22.264 -16.134   9.642
  840    HG   LEU 129           HG       LEU 129  21.414 -13.282  10.215
  841   1HD1  LEU 129          1HD1      LEU 129  20.129 -14.136   8.412
  842   2HD1  LEU 129          2HD1      LEU 129  19.122 -14.403   9.835
  843   3HD1  LEU 129          3HD1      LEU 129  20.028 -15.743   9.131
  844   1HD2  LEU 129          1HD2      LEU 129  21.545 -14.200  12.369
  845   2HD2  LEU 129          2HD2      LEU 129  21.133 -15.822  11.812
  846   3HD2  LEU 129          3HD2      LEU 129  19.885 -14.579  11.913
  847    H    GLY 130           H        GLY 130  26.152 -14.632  11.157
  848   1HA   GLY 130          1HA       GLY 130  27.259 -15.850   8.828
  849   2HA   GLY 130          2HA       GLY 130  28.137 -15.553  10.324
  850    H    ALA 131           H        ALA 131  25.242 -17.620   9.941
  851    HA   ALA 131           HA       ALA 131  26.870 -20.060  10.098
  852   1HB   ALA 131          1HB       ALA 131  25.503 -20.778  12.186
  853   2HB   ALA 131          2HB       ALA 131  25.205 -19.054  12.406
  854   3HB   ALA 131          3HB       ALA 131  26.855 -19.673  12.429
  855    H    SER 132           H        SER 132  23.522 -18.872  10.638
  856    HA   SER 132           HA       SER 132  22.517 -21.176   9.022
  857   1HB   SER 132          1HB       SER 132  21.160 -19.208  10.883
  858   2HB   SER 132          2HB       SER 132  20.270 -20.352   9.879
  859    HG   SER 132           HG       SER 132  22.184 -20.931  11.884
  860    H    THR 133           H        THR 133  23.876 -18.936   7.742
  861    HA   THR 133           HA       THR 133  21.896 -17.147   6.637
  862    HB   THR 133           HB       THR 133  24.356 -17.555   5.031
  863    HG1  THR 133           HG1      THR 133  24.597 -16.702   7.712
  864   1HG2  THR 133          1HG2      THR 133  23.613 -15.107   6.614
  865   2HG2  THR 133          2HG2      THR 133  22.720 -15.530   5.154
  866   3HG2  THR 133          3HG2      THR 133  24.454 -15.215   5.067
  867    HA   PRO 134           HA       PRO 134  20.646 -20.365   3.635
  868   1HB   PRO 134          1HB       PRO 134  18.461 -19.080   2.592
  869   2HB   PRO 134          2HB       PRO 134  18.435 -19.930   4.139
  870   1HG   PRO 134          1HG       PRO 134  18.629 -17.011   3.571
  871   2HG   PRO 134          2HG       PRO 134  17.778 -17.846   4.879
  872   1HD   PRO 134          1HD       PRO 134  20.258 -16.598   5.144
  873   2HD   PRO 134          2HD       PRO 134  19.658 -17.864   6.231
  874    H    ASP 135           H        ASP 135  19.933 -20.119   1.165
  875    HA   ASP 135           HA       ASP 135  21.957 -18.341  -0.118
  876   1HB   ASP 135          1HB       ASP 135  21.936 -20.865  -0.509
  877   2HB   ASP 135          2HB       ASP 135  20.444 -20.620  -1.413
  878    H    LEU 136           H        LEU 136  21.266 -16.671  -1.260
  879    HA   LEU 136           HA       LEU 136  18.358 -16.234  -1.622
  880   1HB   LEU 136          1HB       LEU 136  20.728 -14.417  -2.137
  881   2HB   LEU 136          2HB       LEU 136  19.037 -13.940  -2.257
  882    HG   LEU 136           HG       LEU 136  20.396 -14.956   0.256
  883   1HD1  LEU 136          1HD1      LEU 136  19.359 -12.177  -0.352
  884   2HD1  LEU 136          2HD1      LEU 136  21.040 -12.643  -0.609
  885   3HD1  LEU 136          3HD1      LEU 136  20.352 -12.681   1.015
  886   1HD2  LEU 136          1HD2      LEU 136  18.168 -13.901   1.201
  887   2HD2  LEU 136          2HD2      LEU 136  18.148 -15.538   0.557
  888   3HD2  LEU 136          3HD2      LEU 136  17.563 -14.192  -0.429
  889    H    GLN 137           H        GLN 137  17.345 -16.208  -3.567
  890    HA   GLN 137           HA       GLN 137  18.980 -16.536  -6.058
  891   1HB   GLN 137          1HB       GLN 137  16.308 -17.882  -5.630
  892   2HB   GLN 137          2HB       GLN 137  17.544 -18.250  -6.831
  893   1HG   GLN 137          1HG       GLN 137  17.738 -18.702  -3.842
  894   2HG   GLN 137          2HG       GLN 137  17.604 -19.946  -5.084
  895   1HE2  GLN 137          1HE2      GLN 137  19.895 -18.782  -3.087
  896   2HE2  GLN 137          2HE2      GLN 137  21.257 -18.861  -4.086
  897   1H5*  ATP   1          1H5*      ATP   1  10.002   3.926  22.004
  898   2H5*  ATP   1          2H5*      ATP   1  11.721   3.683  21.970
  899    H4*  ATP   1           H4*      ATP   1  11.620   4.915  19.583
  900    H3*  ATP   1           H3*      ATP   1  12.304   5.952  22.093
  901   *HO3  ATP   1          *HO3      ATP   1  13.170   6.680  20.132
  902    H2*  ATP   1           H2*      ATP   1  10.101   6.590  22.757
  903   *HO2  ATP   1          *HO2      ATP   1  11.535   8.496  21.383
  904    H1*  ATP   1           H1*      ATP   1   9.655   7.570  19.899
  905    H8   ATP   1           H8       ATP   1   7.391   8.767  20.018
  906    H2   ATP   1           H2       ATP   1   7.163   3.838  24.146
  907   1HN6  ATP   1          1HN6      ATP   1   3.261   5.844  23.702
  908   2HN6  ATP   1          2HN6      ATP   1   3.355   6.938  22.322
  Start of MODEL   10
    1   1H    GLY  17          1H        GLY  17  48.919   5.545   7.283
    2   2H    GLY  17          2H        GLY  17  48.823   4.141   8.235
    3   3H    GLY  17          3H        GLY  17  49.606   4.097   6.728
    4   1HA   GLY  17          1HA       GLY  17  51.183   4.138   8.592
    5   2HA   GLY  17          2HA       GLY  17  51.349   5.524   7.514
    6    H    ALA  18           H        ALA  18  48.516   5.460   9.473
    7    HA   ALA  18           HA       ALA  18  49.638   6.808  11.777
    8   1HB   ALA  18          1HB       ALA  18  49.884   8.748  10.475
    9   2HB   ALA  18          2HB       ALA  18  48.290   8.984  11.191
   10   3HB   ALA  18          3HB       ALA  18  48.435   8.411   9.530
   11    HA   PRO  19           HA       PRO  19  45.945   5.475  13.838
   12   1HB   PRO  19          1HB       PRO  19  45.483   8.412  14.328
   13   2HB   PRO  19          2HB       PRO  19  45.300   7.048  15.449
   14   1HG   PRO  19          1HG       PRO  19  47.480   8.610  15.480
   15   2HG   PRO  19          2HG       PRO  19  47.577   6.871  15.804
   16   1HD   PRO  19          1HD       PRO  19  48.527   8.384  13.429
   17   2HD   PRO  19          2HD       PRO  19  49.014   6.776  14.003
   18    H    GLU  20           H        GLU  20  44.482   4.758  12.287
   19    HA   GLU  20           HA       GLU  20  43.256   6.538  10.353
   20   1HB   GLU  20          1HB       GLU  20  41.854   4.563   9.791
   21   2HB   GLU  20          2HB       GLU  20  43.569   4.164   9.837
   22   1HG   GLU  20          1HG       GLU  20  42.582   2.407  11.056
   23   2HG   GLU  20          2HG       GLU  20  43.131   3.506  12.319
   24    H    GLY  21           H        GLY  21  40.550   5.680  10.454
   25   1HA   GLY  21          1HA       GLY  21  38.525   6.029  11.625
   26   2HA   GLY  21          2HA       GLY  21  39.463   6.267  13.099
   27    HA   PRO  22           HA       PRO  22  39.654  10.553  10.984
   28   1HB   PRO  22          1HB       PRO  22  38.646  10.885   8.479
   29   2HB   PRO  22          2HB       PRO  22  40.280  10.254   8.765
   30   1HG   PRO  22          1HG       PRO  22  37.759   8.766   8.136
   31   2HG   PRO  22          2HG       PRO  22  39.388   8.538   7.478
   32   1HD   PRO  22          1HD       PRO  22  38.342   6.969   9.489
   33   2HD   PRO  22          2HD       PRO  22  40.082   7.281   9.311
   34    H    GLY  23           H        GLY  23  38.177  12.196  11.452
   35   1HA   GLY  23          1HA       GLY  23  35.454  11.410  12.102
   36   2HA   GLY  23          2HA       GLY  23  36.125  13.034  12.258
   37    HA   PRO  24           HA       PRO  24  34.108  14.243   8.526
   38   1HB   PRO  24          1HB       PRO  24  35.913  15.845   7.267
   39   2HB   PRO  24          2HB       PRO  24  35.159  16.297   8.809
   40   1HG   PRO  24          1HG       PRO  24  37.862  15.113   8.296
   41   2HG   PRO  24          2HG       PRO  24  37.405  16.435   9.384
   42   1HD   PRO  24          1HD       PRO  24  37.807  13.847  10.246
   43   2HD   PRO  24          2HD       PRO  24  36.698  14.974  11.056
   44    H    SER  25           H        SER  25  34.886  14.666   5.942
   45    HA   SER  25           HA       SER  25  36.606  12.533   4.945
   46   1HB   SER  25          1HB       SER  25  33.613  12.338   4.485
   47   2HB   SER  25          2HB       SER  25  34.837  11.299   3.756
   48    HG   SER  25           HG       SER  25  35.206  11.378   6.396
   49    H    GLY  26           H        GLY  26  35.228  15.501   4.696
   50   1HA   GLY  26          1HA       GLY  26  35.060  17.081   2.965
   51   2HA   GLY  26          2HA       GLY  26  36.410  16.203   2.247
   52    H    GLY  27           H        GLY  27  35.424  16.611   0.135
   53   1HA   GLY  27          1HA       GLY  27  33.775  14.426  -0.764
   54   2HA   GLY  27          2HA       GLY  27  32.827  15.910  -0.665
   55    H    ALA  28           H        ALA  28  34.975  17.706  -1.367
   56    HA   ALA  28           HA       ALA  28  34.840  17.454  -4.258
   57   1HB   ALA  28          1HB       ALA  28  34.829  19.662  -3.174
   58   2HB   ALA  28          2HB       ALA  28  36.214  19.518  -4.255
   59   3HB   ALA  28          3HB       ALA  28  36.435  19.357  -2.513
   60    H    GLN  29           H        GLN  29  37.584  17.459  -1.948
   61    HA   GLN  29           HA       GLN  29  39.414  16.479  -4.004
   62   1HB   GLN  29          1HB       GLN  29  40.126  17.954  -2.098
   63   2HB   GLN  29          2HB       GLN  29  39.825  16.606  -1.002
   64   1HG   GLN  29          1HG       GLN  29  41.496  15.249  -2.124
   65   2HG   GLN  29          2HG       GLN  29  41.710  16.475  -3.374
   66   1HE2  GLN  29          1HE2      GLN  29  41.221  18.205  -0.583
   67   2HE2  GLN  29          2HE2      GLN  29  42.832  18.403  -0.084
   68    H    GLY  30           H        GLY  30  39.005  14.410  -4.697
   69   1HA   GLY  30          1HA       GLY  30  39.490  12.198  -2.914
   70   2HA   GLY  30          2HA       GLY  30  37.769  12.330  -3.277
   71    H    GLY  31           H        GLY  31  37.584  10.513  -4.609
   72   1HA   GLY  31          1HA       GLY  31  38.388  10.813  -7.360
   73   2HA   GLY  31          2HA       GLY  31  39.392   9.607  -6.554
   74    H    SER  32           H        SER  32  36.274   9.838  -5.209
   75    HA   SER  32           HA       SER  32  34.882   8.076  -7.040
   76   1HB   SER  32          1HB       SER  32  36.563   6.508  -6.026
   77   2HB   SER  32          2HB       SER  32  35.857   6.844  -4.446
   78    HG   SER  32           HG       SER  32  35.038   4.952  -5.632
   79    H    ILE  33           H        ILE  33  32.690   7.960  -6.488
   80    HA   ILE  33           HA       ILE  33  31.827   8.825  -3.793
   81    HB   ILE  33           HB       ILE  33  30.162  10.444  -5.062
   82   1HG1  ILE  33          1HG1      ILE  33  31.152  11.470  -7.056
   83   2HG1  ILE  33          2HG1      ILE  33  32.531  10.378  -6.964
   84   1HG2  ILE  33          1HG2      ILE  33  31.724  12.297  -4.736
   85   2HG2  ILE  33          2HG2      ILE  33  33.086  11.178  -4.725
   86   3HG2  ILE  33          3HG2      ILE  33  31.900  11.136  -3.421
   87   1HD1  ILE  33          1HD1      ILE  33  29.707   9.326  -7.172
   88   2HD1  ILE  33          2HD1      ILE  33  31.219   8.492  -7.541
   89   3HD1  ILE  33          3HD1      ILE  33  30.632   9.766  -8.607
   90    H    HIS  34           H        HIS  34  29.217   8.891  -3.942
   91    HA   HIS  34           HA       HIS  34  28.385   6.224  -4.441
   92   1HB   HIS  34          1HB       HIS  34  26.656   8.717  -4.373
   93   2HB   HIS  34          2HB       HIS  34  26.102   7.061  -4.130
   94    HD1  HIS  34           HD1      HIS  34  27.749   5.817  -2.126
   95    HD2  HIS  34           HD2      HIS  34  27.045   9.921  -1.931
   96    HE1  HIS  34           HE1      HIS  34  28.216   6.511   0.265
   97    H    SER  35           H        SER  35  27.871   5.205  -6.319
   98    HA   SER  35           HA       SER  35  28.055   6.594  -8.851
   99   1HB   SER  35          1HB       SER  35  27.051   3.811  -8.178
  100   2HB   SER  35          2HB       SER  35  27.351   4.403  -9.812
  101    HG   SER  35           HG       SER  35  29.527   4.813  -9.126
  102    H    GLY  36           H        GLY  36  25.294   4.638  -7.686
  103   1HA   GLY  36          1HA       GLY  36  23.427   6.847  -8.126
  104   2HA   GLY  36          2HA       GLY  36  23.310   5.571  -9.338
  105    H    ARG  37           H        ARG  37  22.323   6.545  -6.237
  106    HA   ARG  37           HA       ARG  37  20.828   4.028  -5.884
  107   1HB   ARG  37          1HB       ARG  37  22.855   5.016  -3.853
  108   2HB   ARG  37          2HB       ARG  37  21.630   3.794  -3.512
  109   1HG   ARG  37          1HG       ARG  37  22.573   2.512  -5.527
  110   2HG   ARG  37          2HG       ARG  37  23.938   3.627  -5.459
  111   1HD   ARG  37          1HD       ARG  37  24.345   2.974  -3.107
  112   2HD   ARG  37          2HD       ARG  37  22.995   1.843  -3.194
  113    HE   ARG  37           HE       ARG  37  24.401   0.356  -4.362
  114   1HH1  ARG  37          1HH1      ARG  37  25.604   3.586  -4.413
  115   2HH1  ARG  37          2HH1      ARG  37  27.098   3.160  -5.178
  116   1HH2  ARG  37          1HH2      ARG  37  26.345  -0.220  -5.361
  117   2HH2  ARG  37          2HH2      ARG  37  27.518   1.005  -5.715
  118    H    ILE  38           H        ILE  38  19.244   4.263  -4.048
  119    HA   ILE  38           HA       ILE  38  18.716   7.083  -3.239
  120    HB   ILE  38           HB       ILE  38  16.645   5.302  -4.578
  121   1HG1  ILE  38          1HG1      ILE  38  18.194   7.723  -5.531
  122   2HG1  ILE  38          2HG1      ILE  38  18.217   6.104  -6.227
  123   1HG2  ILE  38          1HG2      ILE  38  15.845   6.942  -2.777
  124   2HG2  ILE  38          2HG2      ILE  38  15.136   7.157  -4.372
  125   3HG2  ILE  38          3HG2      ILE  38  16.421   8.234  -3.831
  126   1HD1  ILE  38          1HD1      ILE  38  15.978   8.129  -6.288
  127   2HD1  ILE  38          2HD1      ILE  38  15.685   6.418  -6.599
  128   3HD1  ILE  38          3HD1      ILE  38  16.769   7.332  -7.648
  129    H    ALA  39           H        ALA  39  19.086   6.588  -1.097
  130    HA   ALA  39           HA       ALA  39  17.540   4.349   0.142
  131   1HB   ALA  39          1HB       ALA  39  19.845   4.261   0.748
  132   2HB   ALA  39          2HB       ALA  39  19.016   4.938   2.150
  133   3HB   ALA  39          3HB       ALA  39  19.907   5.996   1.056
  134    H    ALA  40           H        ALA  40  15.544   5.028   0.782
  135    HA   ALA  40           HA       ALA  40  15.365   7.391   2.559
  136   1HB   ALA  40          1HB       ALA  40  13.833   8.596   1.263
  137   2HB   ALA  40          2HB       ALA  40  13.374   7.186   0.307
  138   3HB   ALA  40          3HB       ALA  40  14.927   7.970   0.032
  139    H    VAL  41           H        VAL  41  12.771   7.552   3.053
  140    HA   VAL  41           HA       VAL  41  12.161   5.060   4.429
  141    HB   VAL  41           HB       VAL  41  10.532   7.594   4.081
  142   1HG1  VAL  41          1HG1      VAL  41   9.062   5.752   4.665
  143   2HG1  VAL  41          2HG1      VAL  41   9.306   6.752   6.095
  144   3HG1  VAL  41          3HG1      VAL  41  10.170   5.225   5.933
  145   1HG2  VAL  41          1HG2      VAL  41  11.274   7.921   6.501
  146   2HG2  VAL  41          2HG2      VAL  41  12.538   8.112   5.289
  147   3HG2  VAL  41          3HG2      VAL  41  12.432   6.620   6.225
  148    H    HIS  42           H        HIS  42  10.497   3.608   3.924
  149    HA   HIS  42           HA       HIS  42   8.802   4.084   1.545
  150   1HB   HIS  42          1HB       HIS  42  11.011   2.051   1.730
  151   2HB   HIS  42          2HB       HIS  42   9.582   1.682   0.768
  152    HD1  HIS  42           HD1      HIS  42   9.523   2.597  -1.549
  153    HD2  HIS  42           HD2      HIS  42  12.344   4.556   0.806
  154    HE1  HIS  42           HE1      HIS  42  10.798   4.141  -3.094
  155    H    ASN  43           H        ASN  43   6.872   2.932   1.684
  156    HA   ASN  43           HA       ASN  43   6.334   1.529   4.207
  157   1HB   ASN  43          1HB       ASN  43   4.644   2.145   1.766
  158   2HB   ASN  43          2HB       ASN  43   4.037   1.258   3.163
  159   1HD2  ASN  43          1HD2      ASN  43   2.768   3.654   2.635
  160   2HD2  ASN  43          2HD2      ASN  43   3.242   4.836   3.753
  161    H    VAL  44           H        VAL  44   7.526  -0.412   4.121
  162    HA   VAL  44           HA       VAL  44   7.323  -2.112   1.727
  163    HB   VAL  44           HB       VAL  44   9.441  -1.778   3.141
  164   1HG1  VAL  44          1HG1      VAL  44   9.729  -3.072   5.105
  165   2HG1  VAL  44          2HG1      VAL  44   8.228  -3.959   4.840
  166   3HG1  VAL  44          3HG1      VAL  44   8.177  -2.262   5.317
  167   1HG2  VAL  44          1HG2      VAL  44   9.268  -3.484   1.389
  168   2HG2  VAL  44          2HG2      VAL  44   8.471  -4.579   2.518
  169   3HG2  VAL  44          3HG2      VAL  44  10.153  -4.122   2.774
  170    HA   PRO  45           HA       PRO  45   3.542  -4.072   3.311
  171   1HB   PRO  45          1HB       PRO  45   4.610  -6.392   1.740
  172   2HB   PRO  45          2HB       PRO  45   2.972  -5.715   1.770
  173   1HG   PRO  45          1HG       PRO  45   4.630  -5.220  -0.252
  174   2HG   PRO  45          2HG       PRO  45   3.539  -3.971   0.363
  175   1HD   PRO  45          1HD       PRO  45   6.499  -4.238   0.723
  176   2HD   PRO  45          2HD       PRO  45   5.499  -2.774   0.630
  177    H    LEU  46           H        LEU  46   3.088  -5.331   5.082
  178    HA   LEU  46           HA       LEU  46   5.233  -6.347   6.694
  179   1HB   LEU  46          1HB       LEU  46   2.274  -6.947   6.810
  180   2HB   LEU  46          2HB       LEU  46   3.427  -7.326   8.075
  181    HG   LEU  46           HG       LEU  46   3.331  -4.475   7.157
  182   1HD1  LEU  46          1HD1      LEU  46   1.187  -5.773   8.842
  183   2HD1  LEU  46          2HD1      LEU  46   0.975  -4.985   7.279
  184   3HD1  LEU  46          3HD1      LEU  46   1.423  -4.031   8.696
  185   1HD2  LEU  46          1HD2      LEU  46   3.598  -5.844   9.848
  186   2HD2  LEU  46          2HD2      LEU  46   3.575  -4.099   9.627
  187   3HD2  LEU  46          3HD2      LEU  46   4.883  -5.054   8.933
  188    H    SER  47           H        SER  47   3.093  -7.748   4.341
  189    HA   SER  47           HA       SER  47   3.442 -10.497   4.964
  190   1HB   SER  47          1HB       SER  47   2.813 -10.818   2.516
  191   2HB   SER  47          2HB       SER  47   1.679  -9.889   3.492
  192    HG   SER  47           HG       SER  47   2.024  -8.736   1.647
  193    H    VAL  48           H        VAL  48   5.594  -8.315   3.202
  194    HA   VAL  48           HA       VAL  48   7.256 -10.656   2.369
  195    HB   VAL  48           HB       VAL  48   8.290  -9.231   0.772
  196   1HG1  VAL  48          1HG1      VAL  48   5.409  -8.346   0.753
  197   2HG1  VAL  48          2HG1      VAL  48   5.875 -10.008   0.398
  198   3HG1  VAL  48          3HG1      VAL  48   6.454  -8.692  -0.622
  199   1HG2  VAL  48          1HG2      VAL  48   7.646  -6.788   0.635
  200   2HG2  VAL  48          2HG2      VAL  48   8.647  -7.211   2.023
  201   3HG2  VAL  48          3HG2      VAL  48   6.915  -6.964   2.227
  202    H    LEU  49           H        LEU  49   7.185  -9.405   5.173
  203    HA   LEU  49           HA       LEU  49   9.943  -8.343   5.372
  204   1HB   LEU  49          1HB       LEU  49   7.730  -8.766   7.402
  205   2HB   LEU  49          2HB       LEU  49   9.353  -8.265   7.857
  206    HG   LEU  49           HG       LEU  49   7.534  -6.759   5.950
  207   1HD1  LEU  49          1HD1      LEU  49   7.167  -5.222   7.750
  208   2HD1  LEU  49          2HD1      LEU  49   8.409  -5.981   8.741
  209   3HD1  LEU  49          3HD1      LEU  49   6.898  -6.829   8.423
  210   1HD2  LEU  49          1HD2      LEU  49   9.387  -4.945   6.625
  211   2HD2  LEU  49          2HD2      LEU  49   9.644  -6.048   5.279
  212   3HD2  LEU  49          3HD2      LEU  49  10.377  -6.387   6.846
  213    H    ILE  50           H        ILE  50  11.621  -9.521   6.186
  214    HA   ILE  50           HA       ILE  50  11.112 -12.422   6.739
  215    HB   ILE  50           HB       ILE  50  13.704 -11.049   5.976
  216   1HG1  ILE  50          1HG1      ILE  50  11.825 -12.699   4.260
  217   2HG1  ILE  50          2HG1      ILE  50  11.919 -10.939   4.208
  218   1HG2  ILE  50          1HG2      ILE  50  12.866 -13.962   6.095
  219   2HG2  ILE  50          2HG2      ILE  50  13.990 -13.162   7.193
  220   3HG2  ILE  50          3HG2      ILE  50  14.418 -13.377   5.496
  221   1HD1  ILE  50          1HD1      ILE  50  14.430 -11.248   3.768
  222   2HD1  ILE  50          2HD1      ILE  50  13.339 -11.684   2.456
  223   3HD1  ILE  50          3HD1      ILE  50  14.053 -12.943   3.462
  224    H    ARG  51           H        ARG  51  11.319 -13.057   8.811
  225    HA   ARG  51           HA       ARG  51  13.178 -11.568  10.631
  226   1HB   ARG  51          1HB       ARG  51  10.313 -12.414  11.082
  227   2HB   ARG  51          2HB       ARG  51  11.411 -12.112  12.429
  228   1HG   ARG  51          1HG       ARG  51  11.855  -9.855  11.535
  229   2HG   ARG  51          2HG       ARG  51  10.712 -10.141  10.230
  230   1HD   ARG  51          1HD       ARG  51   8.868 -10.224  11.723
  231   2HD   ARG  51          2HD       ARG  51   9.910 -10.429  13.132
  232    HE   ARG  51           HE       ARG  51  10.161  -8.087  13.205
  233   1HH1  ARG  51          1HH1      ARG  51   9.041  -9.175  10.131
  234   2HH1  ARG  51          2HH1      ARG  51   8.795  -7.578   9.507
  235   1HH2  ARG  51          1HH2      ARG  51   9.847  -5.996  12.408
  236   2HH2  ARG  51          2HH2      ARG  51   9.251  -5.778  10.796
  237    HA   PRO  52           HA       PRO  52  14.050 -16.057  11.155
  238   1HB   PRO  52          1HB       PRO  52  16.662 -16.040  10.737
  239   2HB   PRO  52          2HB       PRO  52  15.574 -15.689   9.375
  240   1HG   PRO  52          1HG       PRO  52  17.107 -13.783  11.116
  241   2HG   PRO  52          2HG       PRO  52  16.959 -13.803   9.355
  242   1HD   PRO  52          1HD       PRO  52  15.383 -12.232  11.071
  243   2HD   PRO  52          2HD       PRO  52  14.935 -12.663   9.406
  244    H    LEU  53           H        LEU  53  14.074 -13.692  13.247
  245    HA   LEU  53           HA       LEU  53  15.726 -15.141  15.257
  246   1HB   LEU  53          1HB       LEU  53  16.307 -12.556  14.088
  247   2HB   LEU  53          2HB       LEU  53  15.969 -12.326  15.796
  248    HG   LEU  53           HG       LEU  53  17.658 -14.066  16.348
  249   1HD1  LEU  53          1HD1      LEU  53  17.745 -14.288  13.356
  250   2HD1  LEU  53          2HD1      LEU  53  17.898 -15.547  14.582
  251   3HD1  LEU  53          3HD1      LEU  53  19.261 -14.491  14.236
  252   1HD2  LEU  53          1HD2      LEU  53  19.663 -12.715  15.460
  253   2HD2  LEU  53          2HD2      LEU  53  18.467 -11.830  16.409
  254   3HD2  LEU  53          3HD2      LEU  53  18.470 -11.700  14.649
  255    HA   PRO  54           HA       PRO  54  11.835 -14.433  17.424
  256   1HB   PRO  54          1HB       PRO  54  12.457 -15.523  19.834
  257   2HB   PRO  54          2HB       PRO  54  12.226 -16.518  18.383
  258   1HG   PRO  54          1HG       PRO  54  14.772 -15.560  19.638
  259   2HG   PRO  54          2HG       PRO  54  14.360 -17.174  19.031
  260   1HD   PRO  54          1HD       PRO  54  15.828 -15.363  17.576
  261   2HD   PRO  54          2HD       PRO  54  14.780 -16.583  16.818
  262    H    SER  55           H        SER  55  11.051 -13.288  19.455
  263    HA   SER  55           HA       SER  55  13.000 -11.478  20.744
  264   1HB   SER  55          1HB       SER  55  10.755 -10.528  18.956
  265   2HB   SER  55          2HB       SER  55  11.482  -9.495  20.184
  266    HG   SER  55           HG       SER  55  12.903 -10.831  18.124
  267    H    VAL  56           H        VAL  56  11.965 -10.261  22.522
  268    HA   VAL  56           HA       VAL  56   9.640 -11.756  23.675
  269    HB   VAL  56           HB       VAL  56  11.966 -11.631  24.878
  270   1HG1  VAL  56          1HG1      VAL  56  12.409  -9.695  26.200
  271   2HG1  VAL  56          2HG1      VAL  56  10.835  -8.993  25.835
  272   3HG1  VAL  56          3HG1      VAL  56  12.071  -9.084  24.583
  273   1HG2  VAL  56          1HG2      VAL  56   9.349 -10.942  26.240
  274   2HG2  VAL  56          2HG2      VAL  56  10.798 -11.464  27.099
  275   3HG2  VAL  56          3HG2      VAL  56  10.008 -12.554  25.960
  276    H    LEU  57           H        LEU  57   7.748 -10.656  23.658
  277    HA   LEU  57           HA       LEU  57   7.821  -7.682  23.350
  278   1HB   LEU  57          1HB       LEU  57   5.518  -9.578  22.894
  279   2HB   LEU  57          2HB       LEU  57   5.565  -7.867  22.492
  280    HG   LEU  57           HG       LEU  57   7.384  -9.988  21.306
  281   1HD1  LEU  57          1HD1      LEU  57   5.187 -10.295  20.405
  282   2HD1  LEU  57          2HD1      LEU  57   6.065  -9.345  19.206
  283   3HD1  LEU  57          3HD1      LEU  57   4.917  -8.555  20.288
  284   1HD2  LEU  57          1HD2      LEU  57   7.213  -6.990  21.070
  285   2HD2  LEU  57          2HD2      LEU  57   7.737  -7.937  19.677
  286   3HD2  LEU  57          3HD2      LEU  57   8.639  -8.022  21.187
  287    H    ASP  58           H        ASP  58   6.639  -6.376  24.645
  288    HA   ASP  58           HA       ASP  58   5.576  -7.543  27.180
  289   1HB   ASP  58          1HB       ASP  58   7.474  -6.142  27.616
  290   2HB   ASP  58          2HB       ASP  58   6.878  -4.879  26.556
  291    HA   PRO  59           HA       PRO  59   1.690  -5.929  25.616
  292   1HB   PRO  59          1HB       PRO  59   0.151  -6.061  27.861
  293   2HB   PRO  59          2HB       PRO  59   0.677  -7.508  26.979
  294   1HG   PRO  59          1HG       PRO  59   1.821  -6.284  29.461
  295   2HG   PRO  59          2HG       PRO  59   1.503  -7.981  29.094
  296   1HD   PRO  59          1HD       PRO  59   4.002  -6.860  28.873
  297   2HD   PRO  59          2HD       PRO  59   3.465  -8.226  27.873
  298    H    ALA  60           H        ALA  60   3.305  -4.372  28.303
  299    HA   ALA  60           HA       ALA  60   1.492  -2.095  28.401
  300   1HB   ALA  60          1HB       ALA  60   2.976  -1.195  30.029
  301   2HB   ALA  60          2HB       ALA  60   4.326  -2.170  29.446
  302   3HB   ALA  60          3HB       ALA  60   2.988  -2.938  30.301
  303    H    LYS  61           H        LYS  61   4.685  -2.719  26.929
  304    HA   LYS  61           HA       LYS  61   4.923  -0.003  25.958
  305   1HB   LYS  61          1HB       LYS  61   6.658  -2.172  26.270
  306   2HB   LYS  61          2HB       LYS  61   6.529  -2.021  24.528
  307   1HG   LYS  61          1HG       LYS  61   7.054   0.430  24.773
  308   2HG   LYS  61          2HG       LYS  61   7.341   0.132  26.488
  309   1HD   LYS  61          1HD       LYS  61   8.795  -1.273  24.223
  310   2HD   LYS  61          2HD       LYS  61   9.445   0.089  25.132
  311   1HE   LYS  61          1HE       LYS  61   8.946  -1.402  27.232
  312   2HE   LYS  61          2HE       LYS  61   8.916  -2.724  26.065
  313   1HZ   LYS  61          1HZ       LYS  61  11.133  -1.921  27.216
  314   2HZ   LYS  61          2HZ       LYS  61  11.139  -0.842  25.904
  315   3HZ   LYS  61          3HZ       LYS  61  11.112  -2.518  25.629
  316    H    VAL  62           H        VAL  62   3.633  -3.015  24.627
  317    HA   VAL  62           HA       VAL  62   3.467  -2.053  21.904
  318    HB   VAL  62           HB       VAL  62   1.925  -4.230  23.354
  319   1HG1  VAL  62          1HG1      VAL  62   1.979  -3.371  20.454
  320   2HG1  VAL  62          2HG1      VAL  62   0.573  -3.592  21.495
  321   3HG1  VAL  62          3HG1      VAL  62   1.490  -4.994  20.944
  322   1HG2  VAL  62          1HG2      VAL  62   3.469  -5.745  22.300
  323   2HG2  VAL  62          2HG2      VAL  62   4.437  -4.475  23.047
  324   3HG2  VAL  62          3HG2      VAL  62   4.149  -4.455  21.308
  325    H    GLN  63           H        GLN  63   1.310  -1.916  24.708
  326    HA   GLN  63           HA       GLN  63  -0.977  -0.910  23.266
  327   1HB   GLN  63          1HB       GLN  63  -0.126  -0.991  26.152
  328   2HB   GLN  63          2HB       GLN  63  -1.470   0.059  25.706
  329   1HG   GLN  63          1HG       GLN  63  -1.386  -2.845  24.861
  330   2HG   GLN  63          2HG       GLN  63  -2.052  -2.351  26.417
  331   1HE2  GLN  63          1HE2      GLN  63  -4.129  -3.267  25.351
  332   2HE2  GLN  63          2HE2      GLN  63  -5.044  -2.203  24.396
  333    H    SER  64           H        SER  64   1.751   0.658  24.925
  334    HA   SER  64           HA       SER  64   0.835   3.347  24.608
  335   1HB   SER  64          1HB       SER  64   2.783   2.545  26.041
  336   2HB   SER  64          2HB       SER  64   3.729   2.456  24.555
  337    HG   SER  64           HG       SER  64   3.698   4.584  24.371
  338    H    LEU  65           H        LEU  65   2.674   1.192  22.471
  339    HA   LEU  65           HA       LEU  65   3.130   3.243  20.467
  340   1HB   LEU  65          1HB       LEU  65   3.494   0.264  20.661
  341   2HB   LEU  65          2HB       LEU  65   3.627   1.044  19.094
  342    HG   LEU  65           HG       LEU  65   5.152   2.194  21.429
  343   1HD1  LEU  65          1HD1      LEU  65   5.739  -0.153  21.531
  344   2HD1  LEU  65          2HD1      LEU  65   7.077   0.722  20.788
  345   3HD1  LEU  65          3HD1      LEU  65   5.970  -0.214  19.784
  346   1HD2  LEU  65          1HD2      LEU  65   5.664   1.995  18.443
  347   2HD2  LEU  65          2HD2      LEU  65   6.748   2.766  19.599
  348   3HD2  LEU  65          3HD2      LEU  65   5.142   3.434  19.318
  349    H    VAL  66           H        VAL  66   0.909   0.458  20.767
  350    HA   VAL  66           HA       VAL  66  -0.473   0.786  18.324
  351    HB   VAL  66           HB       VAL  66  -1.270  -0.260  21.047
  352   1HG1  VAL  66          1HG1      VAL  66  -3.320  -1.191  19.841
  353   2HG1  VAL  66          2HG1      VAL  66  -2.995   0.000  18.583
  354   3HG1  VAL  66          3HG1      VAL  66  -3.360   0.530  20.223
  355   1HG2  VAL  66          1HG2      VAL  66  -1.311  -2.412  19.799
  356   2HG2  VAL  66          2HG2      VAL  66   0.265  -1.623  19.717
  357   3HG2  VAL  66          3HG2      VAL  66  -0.832  -1.548  18.338
  358    H    ASP  67           H        ASP  67  -0.644   2.535  21.347
  359    HA   ASP  67           HA       ASP  67  -3.075   4.008  20.684
  360   1HB   ASP  67          1HB       ASP  67  -2.043   3.552  23.031
  361   2HB   ASP  67          2HB       ASP  67  -0.993   4.917  22.679
  362    H    THR  68           H        THR  68   0.411   4.608  20.493
  363    HA   THR  68           HA       THR  68   0.285   7.353  19.745
  364    HB   THR  68           HB       THR  68   2.377   5.425  18.724
  365    HG1  THR  68           HG1      THR  68   2.096   6.531  21.319
  366   1HG2  THR  68          1HG2      THR  68   2.380   7.877  18.093
  367   2HG2  THR  68          2HG2      THR  68   3.836   7.323  18.918
  368   3HG2  THR  68          3HG2      THR  68   2.618   8.241  19.801
  369    H    ILE  69           H        ILE  69   0.436   4.411  17.754
  370    HA   ILE  69           HA       ILE  69   0.339   5.718  15.209
  371    HB   ILE  69           HB       ILE  69  -0.601   2.938  15.990
  372   1HG1  ILE  69          1HG1      ILE  69   2.112   4.086  15.294
  373   2HG1  ILE  69          2HG1      ILE  69   1.659   3.182  16.732
  374   1HG2  ILE  69          1HG2      ILE  69  -1.263   3.824  13.678
  375   2HG2  ILE  69          2HG2      ILE  69  -0.310   2.346  13.682
  376   3HG2  ILE  69          3HG2      ILE  69   0.461   3.886  13.313
  377   1HD1  ILE  69          1HD1      ILE  69   1.172   1.210  15.194
  378   2HD1  ILE  69          2HD1      ILE  69   2.869   1.652  15.357
  379   3HD1  ILE  69          3HD1      ILE  69   1.971   2.126  13.916
  380    H    ARG  70           H        ARG  70  -2.215   4.582  17.395
  381    HA   ARG  70           HA       ARG  70  -4.333   5.131  15.466
  382   1HB   ARG  70          1HB       ARG  70  -4.132   4.054  18.223
  383   2HB   ARG  70          2HB       ARG  70  -5.613   4.942  17.912
  384   1HG   ARG  70          1HG       ARG  70  -5.978   3.528  15.882
  385   2HG   ARG  70          2HG       ARG  70  -4.551   2.592  16.318
  386   1HD   ARG  70          1HD       ARG  70  -6.403   1.378  17.201
  387   2HD   ARG  70          2HD       ARG  70  -5.681   2.194  18.582
  388    HE   ARG  70           HE       ARG  70  -8.261   2.899  17.285
  389   1HH1  ARG  70          1HH1      ARG  70  -5.822   3.551  19.663
  390   2HH1  ARG  70          2HH1      ARG  70  -6.857   4.553  20.620
  391   1HH2  ARG  70          1HH2      ARG  70  -9.596   4.206  18.533
  392   2HH2  ARG  70          2HH2      ARG  70  -8.982   4.926  19.984
  393    H    GLU  71           H        GLU  71  -3.077   6.837  18.349
  394    HA   GLU  71           HA       GLU  71  -5.050   9.001  17.958
  395   1HB   GLU  71          1HB       GLU  71  -4.340   8.143  20.229
  396   2HB   GLU  71          2HB       GLU  71  -2.772   8.896  19.944
  397   1HG   GLU  71          1HG       GLU  71  -3.930  11.076  19.584
  398   2HG   GLU  71          2HG       GLU  71  -5.460  10.299  19.989
  399    H    ASP  72           H        ASP  72  -1.573   8.510  17.510
  400    HA   ASP  72           HA       ASP  72  -1.480  10.948  15.848
  401   1HB   ASP  72          1HB       ASP  72  -1.043  11.611  18.273
  402   2HB   ASP  72          2HB       ASP  72   0.438  10.661  18.165
  403    HA   PRO  73           HA       PRO  73   1.361   7.632  14.399
  404   1HB   PRO  73          1HB       PRO  73   0.722   7.622  11.807
  405   2HB   PRO  73          2HB       PRO  73  -0.387   6.958  13.015
  406   1HG   PRO  73          1HG       PRO  73  -0.451   9.635  11.682
  407   2HG   PRO  73          2HG       PRO  73  -1.775   8.490  11.953
  408   1HD   PRO  73          1HD       PRO  73  -1.255  10.663  13.594
  409   2HD   PRO  73          2HD       PRO  73  -2.100   9.198  14.140
  410    H    ASP  74           H        ASP  74   1.540  10.899  14.216
  411    HA   ASP  74           HA       ASP  74   3.556  11.086  12.064
  412   1HB   ASP  74          1HB       ASP  74   3.673  13.488  12.783
  413   2HB   ASP  74          2HB       ASP  74   2.051  12.970  12.323
  414    H    SER  75           H        SER  75   3.459  11.455  15.620
  415    HA   SER  75           HA       SER  75   6.317  11.872  15.865
  416   1HB   SER  75          1HB       SER  75   4.466  10.821  18.015
  417   2HB   SER  75          2HB       SER  75   5.950  11.752  18.219
  418    HG   SER  75           HG       SER  75   3.409  12.581  17.406
  419    H    VAL  76           H        VAL  76   5.403   9.409  14.344
  420    HA   VAL  76           HA       VAL  76   6.764   7.326  16.020
  421    HB   VAL  76           HB       VAL  76   4.870   6.680  13.761
  422   1HG1  VAL  76          1HG1      VAL  76   6.362   4.966  15.005
  423   2HG1  VAL  76          2HG1      VAL  76   4.645   4.593  14.861
  424   3HG1  VAL  76          3HG1      VAL  76   5.282   5.220  16.381
  425   1HG2  VAL  76          1HG2      VAL  76   3.081   6.534  15.560
  426   2HG2  VAL  76          2HG2      VAL  76   3.554   8.170  15.100
  427   3HG2  VAL  76          3HG2      VAL  76   4.163   7.464  16.596
  428    HA   PRO  77           HA       PRO  77   9.438   7.962  12.354
  429   1HB   PRO  77          1HB       PRO  77  11.793   7.094  13.478
  430   2HB   PRO  77          2HB       PRO  77  11.140   8.725  13.697
  431   1HG   PRO  77          1HG       PRO  77  11.130   6.394  15.548
  432   2HG   PRO  77          2HG       PRO  77  11.229   8.123  15.914
  433   1HD   PRO  77          1HD       PRO  77   8.914   6.536  16.121
  434   2HD   PRO  77          2HD       PRO  77   8.936   8.311  16.074
  435    HA   PRO  78           HA       PRO  78   9.640   3.824  10.726
  436   1HB   PRO  78          1HB       PRO  78  11.608   4.025   8.863
  437   2HB   PRO  78          2HB       PRO  78  10.057   4.862   8.693
  438   1HG   PRO  78          1HG       PRO  78  12.692   5.923   9.634
  439   2HG   PRO  78          2HG       PRO  78  11.522   6.656   8.528
  440   1HD   PRO  78          1HD       PRO  78  11.713   7.336  11.185
  441   2HD   PRO  78          2HD       PRO  78  10.210   7.472  10.260
  442    H    ILE  79           H        ILE  79  11.190   1.957  10.301
  443    HA   ILE  79           HA       ILE  79  13.314   1.887  12.424
  444    HB   ILE  79           HB       ILE  79  13.022  -0.651  12.109
  445   1HG1  ILE  79          1HG1      ILE  79  10.364   0.177  10.924
  446   2HG1  ILE  79          2HG1      ILE  79  11.740  -0.239   9.903
  447   1HG2  ILE  79          1HG2      ILE  79  10.625   0.906  13.121
  448   2HG2  ILE  79          2HG2      ILE  79  12.119   0.679  14.031
  449   3HG2  ILE  79          3HG2      ILE  79  11.117  -0.712  13.620
  450   1HD1  ILE  79          1HD1      ILE  79  10.356  -2.220  10.252
  451   2HD1  ILE  79          2HD1      ILE  79  10.465  -2.016  12.000
  452   3HD1  ILE  79          3HD1      ILE  79  11.905  -2.430  11.069
  453    H    ASP  80           H        ASP  80  15.189   0.410  11.851
  454    HA   ASP  80           HA       ASP  80  16.134   1.073   9.134
  455   1HB   ASP  80          1HB       ASP  80  18.255  -0.043  10.124
  456   2HB   ASP  80          2HB       ASP  80  17.751   1.500  10.803
  457    H    VAL  81           H        VAL  81  16.222  -0.431   7.520
  458    HA   VAL  81           HA       VAL  81  16.023  -3.336   8.206
  459    HB   VAL  81           HB       VAL  81  14.268  -1.721   6.342
  460   1HG1  VAL  81          1HG1      VAL  81  13.375  -3.952   5.557
  461   2HG1  VAL  81          2HG1      VAL  81  14.793  -4.705   6.278
  462   3HG1  VAL  81          3HG1      VAL  81  14.982  -3.558   4.951
  463   1HG2  VAL  81          1HG2      VAL  81  13.472  -2.041   8.627
  464   2HG2  VAL  81          2HG2      VAL  81  13.753  -3.778   8.510
  465   3HG2  VAL  81          3HG2      VAL  81  12.497  -3.020   7.530
  466    H    LEU  82           H        LEU  82  17.229  -4.659   6.856
  467    HA   LEU  82           HA       LEU  82  19.142  -3.275   5.069
  468   1HB   LEU  82          1HB       LEU  82  18.992  -5.942   6.425
  469   2HB   LEU  82          2HB       LEU  82  19.898  -5.871   4.917
  470    HG   LEU  82           HG       LEU  82  21.099  -3.805   5.993
  471   1HD1  LEU  82          1HD1      LEU  82  21.242  -4.045   8.499
  472   2HD1  LEU  82          2HD1      LEU  82  19.866  -5.143   8.423
  473   3HD1  LEU  82          3HD1      LEU  82  19.683  -3.460   7.926
  474   1HD2  LEU  82          1HD2      LEU  82  21.533  -6.596   7.070
  475   2HD2  LEU  82          2HD2      LEU  82  22.720  -5.292   7.075
  476   3HD2  LEU  82          3HD2      LEU  82  22.158  -5.968   5.546
  477    H    TRP  83           H        TRP  83  19.231  -3.585   2.865
  478    HA   TRP  83           HA       TRP  83  17.021  -5.176   1.600
  479   1HB   TRP  83          1HB       TRP  83  16.658  -2.782   1.378
  480   2HB   TRP  83          2HB       TRP  83  18.300  -2.546   0.834
  481    HD1  TRP  83           HD1      TRP  83  16.422  -5.507  -0.651
  482    HE1  TRP  83           HE1      TRP  83  15.869  -4.976  -3.115
  483    HE3  TRP  83           HE3      TRP  83  17.751  -0.582  -0.799
  484    HZ2  TRP  83           HZ2      TRP  83  15.981  -2.735  -4.912
  485    HZ3  TRP  83           HZ3      TRP  83  17.522   0.724  -2.893
  486    HH2  TRP  83           HH2      TRP  83  16.648  -0.349  -4.947
  487    H    ILE  84           H        ILE  84  17.967  -6.957   0.676
  488    HA   ILE  84           HA       ILE  84  20.525  -6.582  -0.849
  489    HB   ILE  84           HB       ILE  84  19.855  -8.963   0.904
  490   1HG1  ILE  84          1HG1      ILE  84  21.639  -6.559   1.378
  491   2HG1  ILE  84          2HG1      ILE  84  20.208  -7.007   2.304
  492   1HG2  ILE  84          1HG2      ILE  84  22.119  -9.659   0.468
  493   2HG2  ILE  84          2HG2      ILE  84  22.495  -8.132  -0.330
  494   3HG2  ILE  84          3HG2      ILE  84  21.399  -9.284  -1.094
  495   1HD1  ILE  84          1HD1      ILE  84  21.397  -9.198   2.831
  496   2HD1  ILE  84          2HD1      ILE  84  22.082  -7.756   3.582
  497   3HD1  ILE  84          3HD1      ILE  84  22.854  -8.463   2.163
  498    H    LYS  85           H        LYS  85  20.738  -7.898  -2.687
  499    HA   LYS  85           HA       LYS  85  18.196  -9.166  -3.633
  500   1HB   LYS  85          1HB       LYS  85  20.472  -7.750  -5.004
  501   2HB   LYS  85          2HB       LYS  85  19.481  -8.889  -5.914
  502   1HG   LYS  85          1HG       LYS  85  17.480  -7.648  -5.393
  503   2HG   LYS  85          2HG       LYS  85  18.385  -6.584  -4.316
  504   1HD   LYS  85          1HD       LYS  85  19.531  -5.546  -6.097
  505   2HD   LYS  85          2HD       LYS  85  19.135  -6.847  -7.217
  506   1HE   LYS  85          1HE       LYS  85  17.803  -4.601  -7.370
  507   2HE   LYS  85          2HE       LYS  85  16.921  -6.125  -7.480
  508   1HZ   LYS  85          1HZ       LYS  85  15.810  -4.735  -5.925
  509   2HZ   LYS  85          2HZ       LYS  85  17.250  -4.416  -5.080
  510   3HZ   LYS  85          3HZ       LYS  85  16.570  -5.971  -5.048
  511    H    GLY  86           H        GLY  86  18.364 -11.093  -4.900
  512   1HA   GLY  86          1HA       GLY  86  20.510 -12.904  -3.955
  513   2HA   GLY  86          2HA       GLY  86  18.990 -13.406  -4.660
  514    H    ALA  87           H        ALA  87  20.755 -14.727  -5.842
  515    HA   ALA  87           HA       ALA  87  22.390 -13.501  -7.848
  516   1HB   ALA  87          1HB       ALA  87  22.943 -15.719  -7.162
  517   2HB   ALA  87          2HB       ALA  87  22.373 -15.866  -8.825
  518   3HB   ALA  87          3HB       ALA  87  21.311 -16.304  -7.486
  519    H    GLN  88           H        GLN  88  19.032 -13.685  -7.716
  520    HA   GLN  88           HA       GLN  88  18.831 -13.457 -10.703
  521   1HB   GLN  88          1HB       GLN  88  16.666 -14.643  -8.966
  522   2HB   GLN  88          2HB       GLN  88  16.843 -14.741 -10.719
  523   1HG   GLN  88          1HG       GLN  88  19.086 -15.955 -10.217
  524   2HG   GLN  88          2HG       GLN  88  18.449 -16.155  -8.584
  525   1HE2  GLN  88          1HE2      GLN  88  18.889 -18.476 -10.063
  526   2HE2  GLN  88          2HE2      GLN  88  17.408 -19.146 -10.543
  527    H    GLY  89           H        GLY  89  18.990 -11.381  -8.503
  528   1HA   GLY  89          1HA       GLY  89  18.057  -9.212  -8.387
  529   2HA   GLY  89          2HA       GLY  89  16.841  -9.711  -9.551
  530    H    GLY  90           H        GLY  90  16.412 -12.096  -7.522
  531   1HA   GLY  90          1HA       GLY  90  14.023 -11.248  -6.394
  532   2HA   GLY  90          2HA       GLY  90  15.009 -12.523  -5.694
  533    H    ASP  91           H        ASP  91  13.788  -9.437  -5.226
  534    HA   ASP  91           HA       ASP  91  15.865  -8.412  -3.468
  535   1HB   ASP  91          1HB       ASP  91  12.988  -7.593  -3.937
  536   2HB   ASP  91          2HB       ASP  91  14.073  -6.746  -2.852
  537    H    TYR  92           H        TYR  92  16.024  -8.733  -1.286
  538    HA   TYR  92           HA       TYR  92  13.784 -10.147   0.129
  539   1HB   TYR  92          1HB       TYR  92  16.764 -10.693   0.373
  540   2HB   TYR  92          2HB       TYR  92  15.505 -11.447   1.353
  541    HD1  TYR  92           HD1      TYR  92  13.851 -12.992   0.307
  542    HD2  TYR  92           HD2      TYR  92  17.126 -11.349  -1.933
  543    HE1  TYR  92           HE1      TYR  92  13.492 -14.686  -1.461
  544    HE2  TYR  92           HE2      TYR  92  16.768 -13.040  -3.693
  545    HH   TYR  92           HH       TYR  92  15.499 -15.657  -3.506
  546    H    PHE  93           H        PHE  93  13.131  -8.971   1.875
  547    HA   PHE  93           HA       PHE  93  14.925  -6.834   2.907
  548   1HB   PHE  93          1HB       PHE  93  11.963  -7.278   3.409
  549   2HB   PHE  93          2HB       PHE  93  12.903  -5.861   3.840
  550    HD1  PHE  93           HD1      PHE  93  14.028  -4.510   1.949
  551    HD2  PHE  93           HD2      PHE  93  10.972  -7.454   1.262
  552    HE1  PHE  93           HE1      PHE  93  13.608  -3.559  -0.295
  553    HE2  PHE  93           HE2      PHE  93  10.554  -6.494  -0.982
  554    HZ   PHE  93           HZ       PHE  93  11.873  -4.545  -1.761
  555    H    TYR  94           H        TYR  94  15.964  -7.179   4.756
  556    HA   TYR  94           HA       TYR  94  14.935  -9.228   6.687
  557   1HB   TYR  94          1HB       TYR  94  17.693  -8.411   5.809
  558   2HB   TYR  94          2HB       TYR  94  17.481  -8.995   7.459
  559    HD1  TYR  94           HD1      TYR  94  16.837 -11.285   7.931
  560    HD2  TYR  94           HD2      TYR  94  17.258  -9.861   3.894
  561    HE1  TYR  94           HE1      TYR  94  16.782 -13.622   7.079
  562    HE2  TYR  94           HE2      TYR  94  17.207 -12.188   3.062
  563    HH   TYR  94           HH       TYR  94  17.551 -14.881   5.100
  564    H    SER  95           H        SER  95  14.429  -8.529   8.690
  565    HA   SER  95           HA       SER  95  15.258  -5.754   9.493
  566   1HB   SER  95          1HB       SER  95  12.696  -6.484   9.042
  567   2HB   SER  95          2HB       SER  95  12.831  -6.993  10.717
  568    HG   SER  95           HG       SER  95  12.773  -5.003  11.287
  569    H    PHE  96           H        PHE  96  16.250  -5.604  11.468
  570    HA   PHE  96           HA       PHE  96  16.229  -7.977  13.277
  571   1HB   PHE  96          1HB       PHE  96  18.695  -6.316  12.709
  572   2HB   PHE  96          2HB       PHE  96  18.569  -7.772  13.688
  573    HD1  PHE  96           HD1      PHE  96  19.502  -6.540  10.532
  574    HD2  PHE  96           HD2      PHE  96  17.548  -9.908  12.361
  575    HE1  PHE  96           HE1      PHE  96  20.048  -7.931   8.563
  576    HE2  PHE  96           HE2      PHE  96  18.100 -11.287  10.389
  577    HZ   PHE  96           HZ       PHE  96  19.347 -10.307   8.492
  578    H    GLY  97           H        GLY  97  14.786  -6.772  14.581
  579   1HA   GLY  97          1HA       GLY  97  15.212  -5.511  16.796
  580   2HA   GLY  97          2HA       GLY  97  15.792  -4.214  15.754
  581    H    GLY  98           H        GLY  98  14.026  -2.888  16.641
  582   1HA   GLY  98          1HA       GLY  98  11.821  -2.035  16.643
  583   2HA   GLY  98          2HA       GLY  98  11.868  -2.507  14.949
  584    H    CYS  99           H        CYS  99  12.158  -4.995  17.394
  585    HA   CYS  99           HA       CYS  99  10.056  -6.559  16.356
  586   1HB   CYS  99          1HB       CYS  99  10.827  -6.637  19.272
  587   2HB   CYS  99          2HB       CYS  99  10.388  -7.972  18.209
  588    HG   CYS  99           HG       CYS  99  13.035  -6.421  17.657
  589    H    HIS 100           H        HIS 100   9.998  -4.422  19.231
  590    HA   HIS 100           HA       HIS 100   7.227  -4.834  19.801
  591   1HB   HIS 100          1HB       HIS 100   9.202  -2.660  20.493
  592   2HB   HIS 100          2HB       HIS 100   7.510  -2.521  20.964
  593    HD1  HIS 100           HD1      HIS 100  10.490  -4.829  21.426
  594    HD2  HIS 100           HD2      HIS 100   6.782  -4.059  23.168
  595    HE1  HIS 100           HE1      HIS 100  10.392  -6.215  23.545
  596    H    ARG 101           H        ARG 101   8.803  -2.087  18.095
  597    HA   ARG 101           HA       ARG 101   6.428  -0.743  17.393
  598   1HB   ARG 101          1HB       ARG 101   9.118  -0.945  16.030
  599   2HB   ARG 101          2HB       ARG 101   7.814   0.015  15.333
  600   1HG   ARG 101          1HG       ARG 101   7.766   1.506  17.154
  601   2HG   ARG 101          2HG       ARG 101   8.569   0.366  18.232
  602   1HD   ARG 101          1HD       ARG 101  10.103   2.174  17.583
  603   2HD   ARG 101          2HD       ARG 101  10.662   0.627  16.955
  604    HE   ARG 101           HE       ARG 101   9.118   1.720  14.904
  605   1HH1  ARG 101          1HH1      ARG 101  11.842   2.602  16.822
  606   2HH1  ARG 101          2HH1      ARG 101  12.578   3.559  15.579
  607   1HH2  ARG 101          1HH2      ARG 101  10.065   2.965  13.268
  608   2HH2  ARG 101          2HH2      ARG 101  11.572   3.764  13.569
  609    H    TYR 102           H        TYR 102   7.884  -3.616  15.989
  610    HA   TYR 102           HA       TYR 102   6.207  -3.679  13.624
  611   1HB   TYR 102          1HB       TYR 102   8.174  -5.010  13.518
  612   2HB   TYR 102          2HB       TYR 102   7.868  -5.750  15.080
  613    HD1  TYR 102           HD1      TYR 102   7.167  -5.912  11.491
  614    HD2  TYR 102           HD2      TYR 102   6.048  -7.399  15.361
  615    HE1  TYR 102           HE1      TYR 102   5.984  -7.816  10.426
  616    HE2  TYR 102           HE2      TYR 102   4.853  -9.287  14.296
  617    HH   TYR 102           HH       TYR 102   5.219 -10.515  11.806
  618    H    ALA 103           H        ALA 103   5.949  -5.042  16.892
  619    HA   ALA 103           HA       ALA 103   3.613  -6.617  16.503
  620   1HB   ALA 103          1HB       ALA 103   4.681  -5.152  18.923
  621   2HB   ALA 103          2HB       ALA 103   4.799  -6.874  18.560
  622   3HB   ALA 103          3HB       ALA 103   3.241  -6.167  18.991
  623    H    ALA 104           H        ALA 104   3.912  -3.194  17.502
  624    HA   ALA 104           HA       ALA 104   1.145  -2.694  17.823
  625   1HB   ALA 104          1HB       ALA 104   1.809  -0.287  17.186
  626   2HB   ALA 104          2HB       ALA 104   3.448  -0.915  17.013
  627   3HB   ALA 104          3HB       ALA 104   2.630  -1.002  18.574
  628    H    TYR 105           H        TYR 105   3.173  -2.426  14.895
  629    HA   TYR 105           HA       TYR 105   0.994  -1.570  13.209
  630   1HB   TYR 105          1HB       TYR 105   3.815  -2.506  12.847
  631   2HB   TYR 105          2HB       TYR 105   2.760  -2.618  11.447
  632    HD1  TYR 105           HD1      TYR 105   1.650  -0.569  10.542
  633    HD2  TYR 105           HD2      TYR 105   4.580  -0.386  13.676
  634    HE1  TYR 105           HE1      TYR 105   1.942   1.859  10.127
  635    HE2  TYR 105           HE2      TYR 105   4.873   2.040  13.261
  636    HH   TYR 105           HH       TYR 105   2.938   3.728  10.786
  637    H    GLN 106           H        GLN 106   2.472  -4.738  13.914
  638    HA   GLN 106           HA       GLN 106   0.883  -6.215  12.050
  639   1HB   GLN 106          1HB       GLN 106   3.017  -6.975  13.205
  640   2HB   GLN 106          2HB       GLN 106   2.059  -7.225  14.657
  641   1HG   GLN 106          1HG       GLN 106   0.746  -8.502  12.380
  642   2HG   GLN 106          2HG       GLN 106   2.414  -9.047  12.479
  643   1HE2  GLN 106          1HE2      GLN 106  -0.169  -8.345  14.943
  644   2HE2  GLN 106          2HE2      GLN 106   0.056  -9.802  15.780
  645    H    GLN 107           H        GLN 107   0.368  -5.113  15.341
  646    HA   GLN 107           HA       GLN 107  -1.951  -6.764  15.866
  647   1HB   GLN 107          1HB       GLN 107  -0.554  -5.675  17.640
  648   2HB   GLN 107          2HB       GLN 107  -1.177  -4.110  17.122
  649   1HG   GLN 107          1HG       GLN 107  -3.041  -6.358  17.897
  650   2HG   GLN 107          2HG       GLN 107  -2.359  -5.280  19.111
  651   1HE2  GLN 107          1HE2      GLN 107  -5.155  -5.279  18.676
  652   2HE2  GLN 107          2HE2      GLN 107  -5.605  -3.817  17.939
  653    H    LEU 108           H        LEU 108  -1.515  -3.387  14.804
  654    HA   LEU 108           HA       LEU 108  -4.344  -2.855  14.583
  655   1HB   LEU 108          1HB       LEU 108  -1.923  -1.501  13.374
  656   2HB   LEU 108          2HB       LEU 108  -3.561  -0.868  13.239
  657    HG   LEU 108           HG       LEU 108  -2.230  -1.502  15.892
  658   1HD1  LEU 108          1HD1      LEU 108  -1.662   0.819  16.116
  659   2HD1  LEU 108          2HD1      LEU 108  -2.531   1.237  14.638
  660   3HD1  LEU 108          3HD1      LEU 108  -1.043   0.296  14.550
  661   1HD2  LEU 108          1HD2      LEU 108  -4.063   0.309  16.536
  662   2HD2  LEU 108          2HD2      LEU 108  -4.506  -1.382  16.356
  663   3HD2  LEU 108          3HD2      LEU 108  -4.830  -0.244  15.050
  664    H    GLN 109           H        GLN 109  -2.841  -5.156  13.019
  665    HA   GLN 109           HA       GLN 109  -3.000  -6.146  10.889
  666   1HB   GLN 109          1HB       GLN 109  -5.722  -4.830  10.864
  667   2HB   GLN 109          2HB       GLN 109  -5.252  -6.359  10.123
  668   1HG   GLN 109          1HG       GLN 109  -4.693  -7.170  12.483
  669   2HG   GLN 109          2HG       GLN 109  -5.531  -5.733  13.069
  670   1HE2  GLN 109          1HE2      GLN 109  -5.976  -8.909  11.658
  671   2HE2  GLN 109          2HE2      GLN 109  -7.674  -8.886  11.656
  672    H    ARG 110           H        ARG 110  -1.866  -3.414  10.883
  673    HA   ARG 110           HA       ARG 110  -2.960  -1.873   8.731
  674   1HB   ARG 110          1HB       ARG 110  -0.177  -2.069   9.907
  675   2HB   ARG 110          2HB       ARG 110  -0.570  -0.950   8.607
  676   1HG   ARG 110          1HG       ARG 110  -2.248  -0.981  11.121
  677   2HG   ARG 110          2HG       ARG 110  -0.706  -0.132  11.109
  678   1HD   ARG 110          1HD       ARG 110  -1.484   1.135   9.081
  679   2HD   ARG 110          2HD       ARG 110  -3.065   0.377   9.270
  680    HE   ARG 110           HE       ARG 110  -1.992   2.530  10.918
  681   1HH1  ARG 110          1HH1      ARG 110  -4.107  -0.184  10.703
  682   2HH1  ARG 110          2HH1      ARG 110  -5.173   0.380  11.946
  683   1HH2  ARG 110          1HH2      ARG 110  -3.372   3.283  12.541
  684   2HH2  ARG 110          2HH2      ARG 110  -4.757   2.343  12.987
  685    H    GLU 111           H        GLU 111  -2.025  -1.672   6.568
  686    HA   GLU 111           HA       GLU 111  -1.537  -4.312   5.400
  687   1HB   GLU 111          1HB       GLU 111  -1.865  -1.539   4.252
  688   2HB   GLU 111          2HB       GLU 111  -1.399  -2.909   3.244
  689   1HG   GLU 111          1HG       GLU 111  -3.838  -2.603   3.214
  690   2HG   GLU 111          2HG       GLU 111  -3.423  -4.129   3.986
  691    H    THR 112           H        THR 112   0.357  -1.292   5.802
  692    HA   THR 112           HA       THR 112   2.831  -2.905   5.221
  693    HB   THR 112           HB       THR 112   3.729  -0.834   4.103
  694    HG1  THR 112           HG1      THR 112   1.669   0.416   3.353
  695   1HG2  THR 112          1HG2      THR 112   3.149  -2.050   2.278
  696   2HG2  THR 112          2HG2      THR 112   1.652  -1.127   2.240
  697   3HG2  THR 112          3HG2      THR 112   1.703  -2.681   3.071
  698    H    ILE 113           H        ILE 113   4.815  -1.451   5.862
  699    HA   ILE 113           HA       ILE 113   4.212   0.130   8.319
  700    HB   ILE 113           HB       ILE 113   4.801  -2.235   8.954
  701   1HG1  ILE 113          1HG1      ILE 113   6.839  -0.149   9.778
  702   2HG1  ILE 113          2HG1      ILE 113   5.194  -0.210  10.408
  703   1HG2  ILE 113          1HG2      ILE 113   6.513  -2.421   7.034
  704   2HG2  ILE 113          2HG2      ILE 113   7.011  -3.061   8.600
  705   3HG2  ILE 113          3HG2      ILE 113   7.597  -1.489   8.065
  706   1HD1  ILE 113          1HD1      ILE 113   6.479  -1.392  12.014
  707   2HD1  ILE 113          2HD1      ILE 113   7.432  -2.207  10.774
  708   3HD1  ILE 113          3HD1      ILE 113   5.751  -2.667  11.038
  709    HA   PRO 114           HA       PRO 114   7.355   2.692   6.338
  710   1HB   PRO 114          1HB       PRO 114   7.911   3.965   8.961
  711   2HB   PRO 114          2HB       PRO 114   7.268   4.694   7.479
  712   1HG   PRO 114          1HG       PRO 114   5.753   4.299   9.676
  713   2HG   PRO 114          2HG       PRO 114   5.089   4.199   8.036
  714   1HD   PRO 114          1HD       PRO 114   5.874   1.968   9.902
  715   2HD   PRO 114          2HD       PRO 114   4.458   2.112   8.846
  716    H    ALA 115           H        ALA 115   9.483   2.183   5.963
  717    HA   ALA 115           HA       ALA 115  11.254   1.416   8.196
  718   1HB   ALA 115          1HB       ALA 115  10.153  -0.709   7.534
  719   2HB   ALA 115          2HB       ALA 115  11.881  -0.727   7.183
  720   3HB   ALA 115          3HB       ALA 115  10.720  -0.470   5.881
  721    H    LYS 116           H        LYS 116  13.311   2.057   7.789
  722    HA   LYS 116           HA       LYS 116  13.883   3.491   5.315
  723   1HB   LYS 116          1HB       LYS 116  15.354   2.936   7.890
  724   2HB   LYS 116          2HB       LYS 116  16.235   3.569   6.510
  725   1HG   LYS 116          1HG       LYS 116  14.899   5.544   6.431
  726   2HG   LYS 116          2HG       LYS 116  13.695   4.856   7.520
  727   1HD   LYS 116          1HD       LYS 116  15.088   6.431   8.761
  728   2HD   LYS 116          2HD       LYS 116  15.422   4.794   9.325
  729   1HE   LYS 116          1HE       LYS 116  17.480   4.692   8.146
  730   2HE   LYS 116          2HE       LYS 116  17.069   6.082   7.142
  731   1HZ   LYS 116          1HZ       LYS 116  17.731   6.065  10.030
  732   2HZ   LYS 116          2HZ       LYS 116  17.045   7.408   9.247
  733   3HZ   LYS 116          3HZ       LYS 116  18.573   6.835   8.776
  734    H    LEU 117           H        LEU 117  14.510   2.404   3.494
  735    HA   LEU 117           HA       LEU 117  15.549  -0.333   3.689
  736   1HB   LEU 117          1HB       LEU 117  15.393   1.462   1.250
  737   2HB   LEU 117          2HB       LEU 117  15.640  -0.280   1.251
  738    HG   LEU 117           HG       LEU 117  13.151   1.194   2.171
  739   1HD1  LEU 117          1HD1      LEU 117  13.842  -0.545  -0.205
  740   2HD1  LEU 117          2HD1      LEU 117  13.158   1.077  -0.207
  741   3HD1  LEU 117          3HD1      LEU 117  12.172  -0.297   0.303
  742   1HD2  LEU 117          1HD2      LEU 117  12.291  -1.270   2.280
  743   2HD2  LEU 117          2HD2      LEU 117  13.243  -0.657   3.627
  744   3HD2  LEU 117          3HD2      LEU 117  13.998  -1.693   2.413
  745    H    VAL 118           H        VAL 118  17.644  -0.975   3.500
  746    HA   VAL 118           HA       VAL 118  19.738   1.097   2.952
  747    HB   VAL 118           HB       VAL 118  19.676  -0.997   5.145
  748   1HG1  VAL 118          1HG1      VAL 118  21.935   0.687   4.053
  749   2HG1  VAL 118          2HG1      VAL 118  21.902  -1.058   4.315
  750   3HG1  VAL 118          3HG1      VAL 118  21.961   0.040   5.695
  751   1HG2  VAL 118          1HG2      VAL 118  18.525   1.276   5.430
  752   2HG2  VAL 118          2HG2      VAL 118  20.142   1.980   5.367
  753   3HG2  VAL 118          3HG2      VAL 118  19.725   0.843   6.648
  754    H    GLN 119           H        GLN 119  20.429   0.406   0.958
  755    HA   GLN 119           HA       GLN 119  20.451  -2.305   0.072
  756   1HB   GLN 119          1HB       GLN 119  20.673  -0.275  -1.415
  757   2HB   GLN 119          2HB       GLN 119  22.326  -0.091  -0.837
  758   1HG   GLN 119          1HG       GLN 119  21.408  -2.727  -1.996
  759   2HG   GLN 119          2HG       GLN 119  21.893  -1.416  -3.058
  760   1HE2  GLN 119          1HE2      GLN 119  23.077  -3.869  -0.905
  761   2HE2  GLN 119          2HE2      GLN 119  24.722  -3.497  -1.066
  762    H    SER 120           H        SER 120  21.784  -3.958   0.656
  763    HA   SER 120           HA       SER 120  24.492  -3.317   1.770
  764   1HB   SER 120          1HB       SER 120  22.305  -4.997   2.979
  765   2HB   SER 120          2HB       SER 120  23.987  -5.321   3.363
  766    HG   SER 120           HG       SER 120  22.404  -3.105   3.968
  767    H    THR 121           H        THR 121  25.631  -5.619   2.083
  768    HA   THR 121           HA       THR 121  25.236  -7.162  -0.466
  769    HB   THR 121           HB       THR 121  27.728  -7.685  -0.149
  770    HG1  THR 121           HG1      THR 121  28.741  -6.708   1.408
  771   1HG2  THR 121          1HG2      THR 121  28.406  -5.473  -1.110
  772   2HG2  THR 121          2HG2      THR 121  26.802  -4.856  -0.711
  773   3HG2  THR 121          3HG2      THR 121  26.978  -6.162  -1.883
  774    H    LEU 122           H        LEU 122  25.850  -9.473  -0.285
  775    HA   LEU 122           HA       LEU 122  24.609 -10.750   1.900
  776   1HB   LEU 122          1HB       LEU 122  25.194 -11.826  -0.323
  777   2HB   LEU 122          2HB       LEU 122  26.851 -11.956   0.256
  778    HG   LEU 122           HG       LEU 122  25.975 -13.250   2.242
  779   1HD1  LEU 122          1HD1      LEU 122  23.699 -12.806   2.481
  780   2HD1  LEU 122          2HD1      LEU 122  23.626 -14.333   1.613
  781   3HD1  LEU 122          3HD1      LEU 122  23.401 -12.818   0.745
  782   1HD2  LEU 122          1HD2      LEU 122  26.916 -14.299   0.152
  783   2HD2  LEU 122          2HD2      LEU 122  25.261 -14.466  -0.439
  784   3HD2  LEU 122          3HD2      LEU 122  25.768 -15.324   1.016
  785    H    SER 123           H        SER 123  28.019  -9.817   1.504
  786    HA   SER 123           HA       SER 123  29.120 -11.194   3.708
  787   1HB   SER 123          1HB       SER 123  30.622 -10.013   2.280
  788   2HB   SER 123          2HB       SER 123  29.756  -8.493   2.502
  789    HG   SER 123           HG       SER 123  30.340  -8.735   4.787
  790    H    ASP 124           H        ASP 124  27.515  -7.995   3.632
  791    HA   ASP 124           HA       ASP 124  27.800  -7.326   6.355
  792   1HB   ASP 124          1HB       ASP 124  25.680  -6.748   4.285
  793   2HB   ASP 124          2HB       ASP 124  25.534  -6.139   5.922
  794    H    LEU 125           H        LEU 125  25.350  -9.342   4.717
  795    HA   LEU 125           HA       LEU 125  23.773  -9.800   7.051
  796   1HB   LEU 125          1HB       LEU 125  23.394 -10.395   4.439
  797   2HB   LEU 125          2HB       LEU 125  23.926 -11.976   4.991
  798    HG   LEU 125           HG       LEU 125  22.193 -11.859   6.806
  799   1HD1  LEU 125          1HD1      LEU 125  21.474  -9.710   7.187
  800   2HD1  LEU 125          2HD1      LEU 125  20.278 -10.120   5.965
  801   3HD1  LEU 125          3HD1      LEU 125  21.715  -9.208   5.518
  802   1HD2  LEU 125          1HD2      LEU 125  20.331 -12.407   5.302
  803   2HD2  LEU 125          2HD2      LEU 125  21.840 -13.080   4.686
  804   3HD2  LEU 125          3HD2      LEU 125  21.167 -11.620   3.964
  805    H    ARG 126           H        ARG 126  26.727 -11.335   5.859
  806    HA   ARG 126           HA       ARG 126  26.654 -13.645   7.556
  807   1HB   ARG 126          1HB       ARG 126  28.297 -13.192   5.660
  808   2HB   ARG 126          2HB       ARG 126  29.130 -12.085   6.750
  809   1HG   ARG 126          1HG       ARG 126  29.183 -14.098   8.401
  810   2HG   ARG 126          2HG       ARG 126  28.815 -15.078   6.981
  811   1HD   ARG 126          1HD       ARG 126  30.808 -13.894   5.862
  812   2HD   ARG 126          2HD       ARG 126  31.240 -13.350   7.483
  813    HE   ARG 126           HE       ARG 126  31.980 -15.539   7.944
  814   1HH1  ARG 126          1HH1      ARG 126  29.832 -15.443   5.249
  815   2HH1  ARG 126          2HH1      ARG 126  30.040 -17.117   4.854
  816   1HH2  ARG 126          1HH2      ARG 126  32.264 -17.725   7.444
  817   2HH2  ARG 126          2HH2      ARG 126  31.417 -18.408   6.097
  818    H    VAL 127           H        VAL 127  27.726 -10.307   8.115
  819    HA   VAL 127           HA       VAL 127  28.926 -10.689  10.661
  820    HB   VAL 127           HB       VAL 127  27.311  -8.307   9.695
  821   1HG1  VAL 127          1HG1      VAL 127  27.673  -8.246  12.107
  822   2HG1  VAL 127          2HG1      VAL 127  28.756  -7.086  11.338
  823   3HG1  VAL 127          3HG1      VAL 127  29.377  -8.641  11.891
  824   1HG2  VAL 127          1HG2      VAL 127  30.215  -9.102   9.402
  825   2HG2  VAL 127          2HG2      VAL 127  29.671  -7.435   9.216
  826   3HG2  VAL 127          3HG2      VAL 127  29.074  -8.684   8.126
  827    H    TYR 128           H        TYR 128  25.539 -10.347   9.665
  828    HA   TYR 128           HA       TYR 128  24.611 -10.430  12.484
  829   1HB   TYR 128          1HB       TYR 128  23.105 -10.344   9.855
  830   2HB   TYR 128          2HB       TYR 128  22.338 -10.334  11.441
  831    HD1  TYR 128           HD1      TYR 128  24.078  -8.376   8.939
  832    HD2  TYR 128           HD2      TYR 128  22.801  -8.441  13.038
  833    HE1  TYR 128           HE1      TYR 128  24.381  -5.917   9.070
  834    HE2  TYR 128           HE2      TYR 128  23.110  -5.983  13.173
  835    HH   TYR 128           HH       TYR 128  23.166  -4.052  11.641
  836    H    LEU 129           H        LEU 129  24.244 -12.441   9.558
  837    HA   LEU 129           HA       LEU 129  23.423 -14.748  11.276
  838   1HB   LEU 129          1HB       LEU 129  22.890 -14.118   8.364
  839   2HB   LEU 129          2HB       LEU 129  22.387 -15.593   9.179
  840    HG   LEU 129           HG       LEU 129  21.548 -12.791   9.981
  841   1HD1  LEU 129          1HD1      LEU 129  20.478 -13.267   7.917
  842   2HD1  LEU 129          2HD1      LEU 129  19.288 -13.696   9.145
  843   3HD1  LEU 129          3HD1      LEU 129  20.222 -14.960   8.342
  844   1HD2  LEU 129          1HD2      LEU 129  21.035 -15.536  11.104
  845   2HD2  LEU 129          2HD2      LEU 129  19.765 -14.317  11.217
  846   3HD2  LEU 129          3HD2      LEU 129  21.337 -14.019  11.952
  847    H    GLY 130           H        GLY 130  26.180 -14.179  10.962
  848   1HA   GLY 130          1HA       GLY 130  27.376 -15.538   8.756
  849   2HA   GLY 130          2HA       GLY 130  28.181 -15.185  10.282
  850    H    ALA 131           H        ALA 131  25.255 -17.199   9.856
  851    HA   ALA 131           HA       ALA 131  26.813 -19.664  10.226
  852   1HB   ALA 131          1HB       ALA 131  26.690 -19.170  12.526
  853   2HB   ALA 131          2HB       ALA 131  25.304 -20.230  12.273
  854   3HB   ALA 131          3HB       ALA 131  25.072 -18.485  12.389
  855    H    SER 132           H        SER 132  23.454 -18.422  10.566
  856    HA   SER 132           HA       SER 132  22.502 -20.778   9.001
  857   1HB   SER 132          1HB       SER 132  20.982 -18.662  10.560
  858   2HB   SER 132          2HB       SER 132  20.250 -20.040   9.738
  859    HG   SER 132           HG       SER 132  22.250 -20.255  11.731
  860    H    THR 133           H        THR 133  23.962 -18.674   7.656
  861    HA   THR 133           HA       THR 133  22.081 -16.891   6.372
  862    HB   THR 133           HB       THR 133  24.603 -17.416   4.911
  863    HG1  THR 133           HG1      THR 133  24.762 -16.455   7.559
  864   1HG2  THR 133          1HG2      THR 133  23.022 -15.346   4.887
  865   2HG2  THR 133          2HG2      THR 133  24.766 -15.078   4.881
  866   3HG2  THR 133          3HG2      THR 133  23.851 -14.898   6.378
  867    HA   PRO 134           HA       PRO 134  20.924 -20.221   3.460
  868   1HB   PRO 134          1HB       PRO 134  18.756 -19.004   2.327
  869   2HB   PRO 134          2HB       PRO 134  18.707 -19.756   3.923
  870   1HG   PRO 134          1HG       PRO 134  18.912 -16.876   3.179
  871   2HG   PRO 134          2HG       PRO 134  18.036 -17.629   4.520
  872   1HD   PRO 134          1HD       PRO 134  20.529 -16.375   4.741
  873   2HD   PRO 134          2HD       PRO 134  19.884 -17.545   5.907
  874    H    ASP 135           H        ASP 135  20.261 -20.087   0.977
  875    HA   ASP 135           HA       ASP 135  22.306 -18.363  -0.352
  876   1HB   ASP 135          1HB       ASP 135  22.229 -20.925  -0.648
  877   2HB   ASP 135          2HB       ASP 135  20.777 -20.649  -1.608
  878    H    LEU 136           H        LEU 136  21.473 -16.521  -1.142
  879    HA   LEU 136           HA       LEU 136  18.616 -16.249  -1.725
  880   1HB   LEU 136          1HB       LEU 136  20.909 -14.312  -2.136
  881   2HB   LEU 136          2HB       LEU 136  19.200 -13.915  -2.293
  882    HG   LEU 136           HG       LEU 136  20.540 -14.923   0.236
  883   1HD1  LEU 136          1HD1      LEU 136  20.402 -12.677   1.042
  884   2HD1  LEU 136          2HD1      LEU 136  19.386 -12.179  -0.310
  885   3HD1  LEU 136          3HD1      LEU 136  21.088 -12.555  -0.580
  886   1HD2  LEU 136          1HD2      LEU 136  17.694 -14.266  -0.507
  887   2HD2  LEU 136          2HD2      LEU 136  18.244 -13.992   1.144
  888   3HD2  LEU 136          3HD2      LEU 136  18.312 -15.609   0.459
  889    H    GLN 137           H        GLN 137  17.663 -16.230  -3.692
  890    HA   GLN 137           HA       GLN 137  19.381 -16.364  -6.135
  891   1HB   GLN 137          1HB       GLN 137  16.806 -17.926  -5.866
  892   2HB   GLN 137          2HB       GLN 137  18.120 -18.157  -7.017
  893   1HG   GLN 137          1HG       GLN 137  18.228 -18.689  -4.035
  894   2HG   GLN 137          2HG       GLN 137  18.193 -19.906  -5.309
  895   1HE2  GLN 137          1HE2      GLN 137  20.360 -18.660  -3.221
  896   2HE2  GLN 137          2HE2      GLN 137  21.753 -18.662  -4.177
  897   1H5*  ATP   1          1H5*      ATP   1   9.384   1.236  20.900
  898   2H5*  ATP   1          2H5*      ATP   1  10.812   1.867  21.672
  899    H4*  ATP   1           H4*      ATP   1  10.600   3.159  19.016
  900    H3*  ATP   1           H3*      ATP   1  10.293   4.125  21.898
  901   *HO3  ATP   1          *HO3      ATP   1  12.354   3.880  20.529
  902    H2*  ATP   1           H2*      ATP   1   9.195   6.055  21.167
  903   *HO2  ATP   1          *HO2      ATP   1  11.138   5.906  19.604
  904    H1*  ATP   1           H1*      ATP   1   8.241   4.911  18.657
  905    H8   ATP   1           H8       ATP   1   5.845   5.794  18.899
  906    H2   ATP   1           H2       ATP   1   7.462   3.163  24.554
  907   1HN6  ATP   1          1HN6      ATP   1   3.768   5.725  24.599
  908   2HN6  ATP   1          2HN6      ATP   1   3.163   5.720  22.977
  Start of MODEL   11
    1   1H    GLY  17          1H        GLY  17  41.257 -22.965 -25.534
    2   2H    GLY  17          2H        GLY  17  42.254 -24.134 -24.811
    3   3H    GLY  17          3H        GLY  17  42.918 -22.671 -25.362
    4   1HA   GLY  17          1HA       GLY  17  41.728 -21.431 -23.700
    5   2HA   GLY  17          2HA       GLY  17  40.936 -22.913 -23.165
    6    H    ALA  18           H        ALA  18  43.298 -20.870 -22.274
    7    HA   ALA  18           HA       ALA  18  44.514 -22.762 -20.460
    8   1HB   ALA  18          1HB       ALA  18  46.176 -21.769 -22.794
    9   2HB   ALA  18          2HB       ALA  18  45.765 -23.446 -22.434
   10   3HB   ALA  18          3HB       ALA  18  46.841 -22.551 -21.360
   11    HA   PRO  19           HA       PRO  19  44.833 -18.144 -19.607
   12   1HB   PRO  19          1HB       PRO  19  42.969 -17.953 -17.635
   13   2HB   PRO  19          2HB       PRO  19  42.539 -17.864 -19.354
   14   1HG   PRO  19          1HG       PRO  19  42.348 -20.185 -17.471
   15   2HG   PRO  19          2HG       PRO  19  41.175 -19.616 -18.671
   16   1HD   PRO  19          1HD       PRO  19  42.894 -21.723 -19.126
   17   2HD   PRO  19          2HD       PRO  19  42.271 -20.685 -20.426
   18    H    GLU  20           H        GLU  20  44.685 -17.374 -16.933
   19    HA   GLU  20           HA       GLU  20  46.024 -19.333 -15.228
   20   1HB   GLU  20          1HB       GLU  20  48.112 -18.009 -14.984
   21   2HB   GLU  20          2HB       GLU  20  47.916 -18.624 -16.625
   22   1HG   GLU  20          1HG       GLU  20  46.912 -16.421 -17.273
   23   2HG   GLU  20          2HG       GLU  20  47.280 -15.822 -15.656
   24    H    GLY  21           H        GLY  21  44.027 -16.781 -15.642
   25   1HA   GLY  21          1HA       GLY  21  42.858 -15.537 -14.006
   26   2HA   GLY  21          2HA       GLY  21  43.910 -16.237 -12.777
   27    HA   PRO  22           HA       PRO  22  46.513 -12.613 -14.498
   28   1HB   PRO  22          1HB       PRO  22  45.640 -11.212 -16.661
   29   2HB   PRO  22          2HB       PRO  22  46.519 -12.745 -16.820
   30   1HG   PRO  22          1HG       PRO  22  43.574 -12.227 -16.971
   31   2HG   PRO  22          2HG       PRO  22  44.587 -13.246 -18.007
   32   1HD   PRO  22          1HD       PRO  22  43.047 -14.247 -15.951
   33   2HD   PRO  22          2HD       PRO  22  44.547 -15.023 -16.502
   34    H    GLY  23           H        GLY  23  43.176 -12.439 -13.915
   35   1HA   GLY  23          1HA       GLY  23  41.825 -10.811 -12.898
   36   2HA   GLY  23          2HA       GLY  23  43.325 -10.181 -12.218
   37    HA   PRO  24           HA       PRO  24  42.679  -8.206 -16.756
   38   1HB   PRO  24          1HB       PRO  24  39.685  -8.368 -16.513
   39   2HB   PRO  24          2HB       PRO  24  40.697  -8.396 -17.971
   40   1HG   PRO  24          1HG       PRO  24  39.655 -10.639 -16.992
   41   2HG   PRO  24          2HG       PRO  24  41.297 -10.616 -17.659
   42   1HD   PRO  24          1HD       PRO  24  40.420 -10.750 -14.794
   43   2HD   PRO  24          2HD       PRO  24  41.868 -11.437 -15.560
   44    H    SER  25           H        SER  25  43.373  -6.274 -15.828
   45    HA   SER  25           HA       SER  25  41.730  -4.842 -13.880
   46   1HB   SER  25          1HB       SER  25  43.515  -3.072 -14.149
   47   2HB   SER  25          2HB       SER  25  44.128  -4.654 -13.667
   48    HG   SER  25           HG       SER  25  44.212  -3.410 -16.195
   49    H    GLY  26           H        GLY  26  41.746  -2.241 -14.552
   50   1HA   GLY  26          1HA       GLY  26  40.897  -0.605 -16.037
   51   2HA   GLY  26          2HA       GLY  26  40.926  -1.811 -17.324
   52    H    GLY  27           H        GLY  27  38.849   0.066 -15.638
   53   1HA   GLY  27          1HA       GLY  27  36.734  -1.881 -15.110
   54   2HA   GLY  27          2HA       GLY  27  36.575  -0.128 -15.012
   55    H    ALA  28           H        ALA  28  36.945  -2.745 -17.420
   56    HA   ALA  28           HA       ALA  28  35.874  -1.067 -19.559
   57   1HB   ALA  28          1HB       ALA  28  36.369  -4.059 -19.455
   58   2HB   ALA  28          2HB       ALA  28  37.507  -2.850 -20.049
   59   3HB   ALA  28          3HB       ALA  28  35.994  -3.134 -20.909
   60    H    GLN  29           H        GLN  29  34.470  -2.618 -16.967
   61    HA   GLN  29           HA       GLN  29  31.803  -2.348 -18.136
   62   1HB   GLN  29          1HB       GLN  29  31.228  -4.771 -17.511
   63   2HB   GLN  29          2HB       GLN  29  32.186  -4.545 -18.975
   64   1HG   GLN  29          1HG       GLN  29  34.244  -5.026 -17.733
   65   2HG   GLN  29          2HG       GLN  29  33.326  -5.178 -16.235
   66   1HE2  GLN  29          1HE2      GLN  29  33.794  -7.447 -15.919
   67   2HE2  GLN  29          2HE2      GLN  29  33.190  -8.648 -16.955
   68    H    GLY  30           H        GLY  30  32.402  -0.822 -16.163
   69   1HA   GLY  30          1HA       GLY  30  30.920  -1.874 -13.873
   70   2HA   GLY  30          2HA       GLY  30  32.620  -1.558 -13.525
   71    H    GLY  31           H        GLY  31  29.679  -0.191 -13.214
   72   1HA   GLY  31          1HA       GLY  31  30.738   2.445 -12.725
   73   2HA   GLY  31          2HA       GLY  31  29.819   2.420 -14.230
   74    H    SER  32           H        SER  32  27.559   1.510 -14.051
   75    HA   SER  32           HA       SER  32  26.316   1.319 -11.438
   76   1HB   SER  32          1HB       SER  32  26.430   3.674 -11.297
   77   2HB   SER  32          2HB       SER  32  26.098   3.881 -13.017
   78    HG   SER  32           HG       SER  32  24.035   3.703 -12.653
   79    H    ILE  33           H        ILE  33  24.619  -0.035 -11.742
   80    HA   ILE  33           HA       ILE  33  23.059   0.122 -14.285
   81    HB   ILE  33           HB       ILE  33  23.993  -2.495 -13.066
   82   1HG1  ILE  33          1HG1      ILE  33  25.259  -2.428 -15.471
   83   2HG1  ILE  33          2HG1      ILE  33  25.259  -0.702 -15.124
   84   1HG2  ILE  33          1HG2      ILE  33  21.912  -2.686 -14.274
   85   2HG2  ILE  33          2HG2      ILE  33  23.187  -3.358 -15.290
   86   3HG2  ILE  33          3HG2      ILE  33  22.551  -1.747 -15.624
   87   1HD1  ILE  33          1HD1      ILE  33  26.392  -1.108 -12.986
   88   2HD1  ILE  33          2HD1      ILE  33  27.308  -1.854 -14.293
   89   3HD1  ILE  33          3HD1      ILE  33  26.299  -2.849 -13.244
   90    H    HIS  34           H        HIS  34  23.240  -0.395 -10.885
   91    HA   HIS  34           HA       HIS  34  20.897  -1.812 -10.300
   92   1HB   HIS  34          1HB       HIS  34  21.784   0.676  -8.818
   93   2HB   HIS  34          2HB       HIS  34  20.889  -0.697  -8.166
   94    HD1  HIS  34           HD1      HIS  34  22.295  -3.099  -8.485
   95    HD2  HIS  34           HD2      HIS  34  24.496   0.440  -8.381
   96    HE1  HIS  34           HE1      HIS  34  24.680  -3.754  -7.944
   97    H    SER  35           H        SER  35  18.829  -0.696  -9.361
   98    HA   SER  35           HA       SER  35  17.679   0.893 -11.529
   99   1HB   SER  35          1HB       SER  35  16.483   0.065  -8.866
  100   2HB   SER  35          2HB       SER  35  15.593   0.721 -10.239
  101    HG   SER  35           HG       SER  35  16.246  -1.084 -11.447
  102    H    GLY  36           H        GLY  36  19.598   2.511 -10.741
  103   1HA   GLY  36          1HA       GLY  36  20.006   4.690  -9.969
  104   2HA   GLY  36          2HA       GLY  36  18.261   4.855  -9.782
  105    H    ARG  37           H        ARG  37  21.045   5.020  -8.066
  106    HA   ARG  37           HA       ARG  37  20.300   3.544  -5.675
  107   1HB   ARG  37          1HB       ARG  37  22.389   5.632  -6.309
  108   2HB   ARG  37          2HB       ARG  37  22.130   5.086  -4.653
  109   1HG   ARG  37          1HG       ARG  37  23.918   3.782  -5.760
  110   2HG   ARG  37          2HG       ARG  37  22.546   2.760  -5.338
  111   1HD   ARG  37          1HD       ARG  37  23.528   2.469  -7.699
  112   2HD   ARG  37          2HD       ARG  37  21.782   2.675  -7.586
  113    HE   ARG  37           HE       ARG  37  23.086   5.226  -7.925
  114   1HH1  ARG  37          1HH1      ARG  37  22.147   2.313  -9.510
  115   2HH1  ARG  37          2HH1      ARG  37  22.002   3.051 -11.070
  116   1HH2  ARG  37          1HH2      ARG  37  22.902   6.208  -9.952
  117   2HH2  ARG  37          2HH2      ARG  37  22.429   5.257 -11.320
  118    H    ILE  38           H        ILE  38  18.559   4.171  -4.470
  119    HA   ILE  38           HA       ILE  38  18.298   7.054  -3.756
  120    HB   ILE  38           HB       ILE  38  15.994   5.362  -4.796
  121   1HG1  ILE  38          1HG1      ILE  38  17.591   7.627  -6.016
  122   2HG1  ILE  38          2HG1      ILE  38  17.444   5.980  -6.627
  123   1HG2  ILE  38          1HG2      ILE  38  14.635   7.324  -4.541
  124   2HG2  ILE  38          2HG2      ILE  38  16.033   8.333  -4.181
  125   3HG2  ILE  38          3HG2      ILE  38  15.485   7.133  -3.012
  126   1HD1  ILE  38          1HD1      ILE  38  15.941   7.240  -7.963
  127   2HD1  ILE  38          2HD1      ILE  38  15.338   8.146  -6.575
  128   3HD1  ILE  38          3HD1      ILE  38  14.911   6.446  -6.772
  129    H    ALA  39           H        ALA  39  18.830   6.649  -1.632
  130    HA   ALA  39           HA       ALA  39  17.400   4.506  -0.148
  131   1HB   ALA  39          1HB       ALA  39  19.724   4.589   0.364
  132   2HB   ALA  39          2HB       ALA  39  18.921   5.341   1.742
  133   3HB   ALA  39          3HB       ALA  39  19.705   6.345   0.523
  134    H    ALA  40           H        ALA  40  15.390   5.126   0.512
  135    HA   ALA  40           HA       ALA  40  15.138   7.551   2.172
  136   1HB   ALA  40          1HB       ALA  40  13.158   7.241  -0.077
  137   2HB   ALA  40          2HB       ALA  40  14.694   8.052  -0.369
  138   3HB   ALA  40          3HB       ALA  40  13.582   8.686   0.841
  139    H    VAL  41           H        VAL  41  12.535   7.667   2.655
  140    HA   VAL  41           HA       VAL  41  11.982   5.202   4.098
  141    HB   VAL  41           HB       VAL  41  10.291   7.681   3.666
  142   1HG1  VAL  41          1HG1      VAL  41   9.965   5.349   5.571
  143   2HG1  VAL  41          2HG1      VAL  41   8.857   5.823   4.282
  144   3HG1  VAL  41          3HG1      VAL  41   9.066   6.860   5.690
  145   1HG2  VAL  41          1HG2      VAL  41  10.998   8.085   6.086
  146   2HG2  VAL  41          2HG2      VAL  41  12.268   8.281   4.881
  147   3HG2  VAL  41          3HG2      VAL  41  12.193   6.809   5.850
  148    H    HIS  42           H        HIS  42  10.379   3.685   3.622
  149    HA   HIS  42           HA       HIS  42   8.682   4.035   1.221
  150   1HB   HIS  42          1HB       HIS  42  10.944   2.072   1.494
  151   2HB   HIS  42          2HB       HIS  42   9.533   1.626   0.539
  152    HD1  HIS  42           HD1      HIS  42   9.484   2.430  -1.816
  153    HD2  HIS  42           HD2      HIS  42  12.196   4.595   0.487
  154    HE1  HIS  42           HE1      HIS  42  10.724   3.953  -3.411
  155    H    ASN  43           H        ASN  43   6.798   2.800   1.361
  156    HA   ASN  43           HA       ASN  43   6.265   1.499   3.943
  157   1HB   ASN  43          1HB       ASN  43   4.590   1.956   1.457
  158   2HB   ASN  43          2HB       ASN  43   3.991   1.119   2.887
  159   1HD2  ASN  43          1HD2      ASN  43   2.659   3.445   2.240
  160   2HD2  ASN  43          2HD2      ASN  43   3.087   4.693   3.304
  161    H    VAL  44           H        VAL  44   7.535  -0.400   3.942
  162    HA   VAL  44           HA       VAL  44   7.389  -2.215   1.629
  163    HB   VAL  44           HB       VAL  44   9.492  -1.756   3.029
  164   1HG1  VAL  44          1HG1      VAL  44   8.317  -3.874   4.831
  165   2HG1  VAL  44          2HG1      VAL  44   8.248  -2.157   5.226
  166   3HG1  VAL  44          3HG1      VAL  44   9.808  -2.960   5.052
  167   1HG2  VAL  44          1HG2      VAL  44   9.346  -3.563   1.362
  168   2HG2  VAL  44          2HG2      VAL  44   8.620  -4.622   2.572
  169   3HG2  VAL  44          3HG2      VAL  44  10.284  -4.076   2.763
  170    HA   PRO  45           HA       PRO  45   3.667  -4.225   3.277
  171   1HB   PRO  45          1HB       PRO  45   4.844  -6.596   1.869
  172   2HB   PRO  45          2HB       PRO  45   3.181  -5.985   1.838
  173   1HG   PRO  45          1HG       PRO  45   4.841  -5.549  -0.193
  174   2HG   PRO  45          2HG       PRO  45   3.702  -4.302   0.338
  175   1HD   PRO  45          1HD       PRO  45   6.666  -4.452   0.745
  176   2HD   PRO  45          2HD       PRO  45   5.623  -3.030   0.547
  177    H    LEU  46           H        LEU  46   3.222  -5.393   5.114
  178    HA   LEU  46           HA       LEU  46   5.363  -6.224   6.836
  179   1HB   LEU  46          1HB       LEU  46   2.421  -6.916   6.908
  180   2HB   LEU  46          2HB       LEU  46   3.548  -7.200   8.221
  181    HG   LEU  46           HG       LEU  46   3.409  -4.403   7.164
  182   1HD1  LEU  46          1HD1      LEU  46   1.238  -5.655   8.851
  183   2HD1  LEU  46          2HD1      LEU  46   1.059  -4.984   7.231
  184   3HD1  LEU  46          3HD1      LEU  46   1.434  -3.922   8.590
  185   1HD2  LEU  46          1HD2      LEU  46   3.554  -3.903   9.621
  186   2HD2  LEU  46          2HD2      LEU  46   4.908  -4.857   9.021
  187   3HD2  LEU  46          3HD2      LEU  46   3.610  -5.635   9.927
  188    H    SER  47           H        SER  47   3.283  -7.870   4.576
  189    HA   SER  47           HA       SER  47   3.741 -10.550   5.380
  190   1HB   SER  47          1HB       SER  47   3.123 -11.067   2.965
  191   2HB   SER  47          2HB       SER  47   1.959 -10.105   3.872
  192    HG   SER  47           HG       SER  47   3.829  -9.261   1.935
  193    H    VAL  48           H        VAL  48   5.810  -8.430   3.443
  194    HA   VAL  48           HA       VAL  48   7.534 -10.767   2.754
  195    HB   VAL  48           HB       VAL  48   8.569  -9.386   1.112
  196   1HG1  VAL  48          1HG1      VAL  48   6.187 -10.256   0.737
  197   2HG1  VAL  48          2HG1      VAL  48   6.742  -8.970  -0.334
  198   3HG1  VAL  48          3HG1      VAL  48   5.663  -8.595   1.006
  199   1HG2  VAL  48          1HG2      VAL  48   7.088  -7.091   2.414
  200   2HG2  VAL  48          2HG2      VAL  48   7.880  -6.977   0.848
  201   3HG2  VAL  48          3HG2      VAL  48   8.833  -7.300   2.293
  202    H    LEU  49           H        LEU  49   7.432  -9.429   5.502
  203    HA   LEU  49           HA       LEU  49  10.156  -8.279   5.677
  204   1HB   LEU  49          1HB       LEU  49   8.004  -8.783   7.762
  205   2HB   LEU  49          2HB       LEU  49   9.589  -8.123   8.138
  206    HG   LEU  49           HG       LEU  49   7.555  -6.866   6.271
  207   1HD1  LEU  49          1HD1      LEU  49   6.970  -6.794   8.690
  208   2HD1  LEU  49          2HD1      LEU  49   7.328  -5.189   8.051
  209   3HD1  LEU  49          3HD1      LEU  49   8.526  -6.038   9.025
  210   1HD2  LEU  49          1HD2      LEU  49   9.561  -6.045   5.421
  211   2HD2  LEU  49          2HD2      LEU  49  10.408  -6.210   6.959
  212   3HD2  LEU  49          3HD2      LEU  49   9.282  -4.877   6.709
  213    H    ILE  50           H        ILE  50  11.887  -9.476   6.272
  214    HA   ILE  50           HA       ILE  50  11.448 -12.349   6.933
  215    HB   ILE  50           HB       ILE  50  13.970 -10.852   6.174
  216   1HG1  ILE  50          1HG1      ILE  50  12.310 -12.786   4.540
  217   2HG1  ILE  50          2HG1      ILE  50  12.141 -11.035   4.424
  218   1HG2  ILE  50          1HG2      ILE  50  14.602 -12.785   7.421
  219   2HG2  ILE  50          2HG2      ILE  50  14.742 -13.258   5.728
  220   3HG2  ILE  50          3HG2      ILE  50  13.344 -13.769   6.673
  221   1HD1  ILE  50          1HD1      ILE  50  14.562 -12.717   3.752
  222   2HD1  ILE  50          2HD1      ILE  50  14.661 -10.969   3.964
  223   3HD1  ILE  50          3HD1      ILE  50  13.652 -11.645   2.689
  224    H    ARG  51           H        ARG  51  11.443 -12.848   9.053
  225    HA   ARG  51           HA       ARG  51  13.371 -11.451  10.880
  226   1HB   ARG  51          1HB       ARG  51  10.447 -12.063  11.363
  227   2HB   ARG  51          2HB       ARG  51  11.576 -11.622  12.645
  228   1HG   ARG  51          1HG       ARG  51  12.104  -9.528  11.386
  229   2HG   ARG  51          2HG       ARG  51  10.857  -9.954  10.217
  230   1HD   ARG  51          1HD       ARG  51   9.124  -9.743  11.829
  231   2HD   ARG  51          2HD       ARG  51  10.264  -9.758  13.175
  232    HE   ARG  51           HE       ARG  51   9.588  -7.439  11.515
  233   1HH1  ARG  51          1HH1      ARG  51  11.840  -8.980  13.623
  234   2HH1  ARG  51          2HH1      ARG  51  12.585  -7.500  14.127
  235   1HH2  ARG  51          1HH2      ARG  51  10.547  -5.497  12.162
  236   2HH2  ARG  51          2HH2      ARG  51  11.853  -5.528  13.300
  237    HA   PRO  52           HA       PRO  52  13.736 -15.956  11.701
  238   1HB   PRO  52          1HB       PRO  52  16.322 -16.294  11.192
  239   2HB   PRO  52          2HB       PRO  52  15.214 -15.924   9.853
  240   1HG   PRO  52          1HG       PRO  52  17.104 -14.111  11.306
  241   2HG   PRO  52          2HG       PRO  52  16.748 -14.205   9.576
  242   1HD   PRO  52          1HD       PRO  52  15.556 -12.399  11.437
  243   2HD   PRO  52          2HD       PRO  52  14.994 -12.711   9.780
  244    H    LEU  53           H        LEU  53  13.853 -13.655  13.713
  245    HA   LEU  53           HA       LEU  53  15.618 -15.020  15.688
  246   1HB   LEU  53          1HB       LEU  53  16.117 -12.452  14.458
  247   2HB   LEU  53          2HB       LEU  53  15.790 -12.183  16.164
  248    HG   LEU  53           HG       LEU  53  17.528 -13.868  16.744
  249   1HD1  LEU  53          1HD1      LEU  53  17.782 -15.384  15.006
  250   2HD1  LEU  53          2HD1      LEU  53  19.124 -14.311  14.634
  251   3HD1  LEU  53          3HD1      LEU  53  17.603 -14.153  13.756
  252   1HD2  LEU  53          1HD2      LEU  53  19.327 -12.392  16.457
  253   2HD2  LEU  53          2HD2      LEU  53  17.948 -11.311  16.260
  254   3HD2  LEU  53          3HD2      LEU  53  18.811 -11.911  14.844
  255    HA   PRO  54           HA       PRO  54  11.855 -14.373  18.059
  256   1HB   PRO  54          1HB       PRO  54  12.705 -15.178  20.512
  257   2HB   PRO  54          2HB       PRO  54  12.470 -16.322  19.177
  258   1HG   PRO  54          1HG       PRO  54  15.001 -15.054  20.159
  259   2HG   PRO  54          2HG       PRO  54  14.687 -16.748  19.741
  260   1HD   PRO  54          1HD       PRO  54  15.911 -14.999  18.017
  261   2HD   PRO  54          2HD       PRO  54  14.903 -16.351  17.455
  262    H    SER  55           H        SER  55  11.106 -13.081  20.022
  263    HA   SER  55           HA       SER  55  12.989 -11.067  21.053
  264   1HB   SER  55          1HB       SER  55  10.686 -10.358  19.228
  265   2HB   SER  55          2HB       SER  55  11.436  -9.192  20.311
  266    HG   SER  55           HG       SER  55  13.474 -10.012  19.249
  267    H    VAL  56           H        VAL  56  11.991  -9.755  22.739
  268    HA   VAL  56           HA       VAL  56   9.655 -11.118  24.025
  269    HB   VAL  56           HB       VAL  56  11.996 -10.976  25.194
  270   1HG1  VAL  56          1HG1      VAL  56  12.522  -8.973  26.366
  271   2HG1  VAL  56          2HG1      VAL  56  10.960  -8.249  25.993
  272   3HG1  VAL  56          3HG1      VAL  56  12.164  -8.455  24.722
  273   1HG2  VAL  56          1HG2      VAL  56   9.933 -11.725  26.301
  274   2HG2  VAL  56          2HG2      VAL  56   9.475 -10.049  26.602
  275   3HG2  VAL  56          3HG2      VAL  56  10.896 -10.731  27.394
  276    H    LEU  57           H        LEU  57   7.799  -9.979  23.826
  277    HA   LEU  57           HA       LEU  57   7.953  -7.059  23.271
  278   1HB   LEU  57          1HB       LEU  57   5.570  -8.905  23.159
  279   2HB   LEU  57          2HB       LEU  57   5.634  -7.248  22.580
  280    HG   LEU  57           HG       LEU  57   7.339  -9.524  21.517
  281   1HD1  LEU  57          1HD1      LEU  57   5.077  -9.889  20.810
  282   2HD1  LEU  57          2HD1      LEU  57   5.888  -9.108  19.452
  283   3HD1  LEU  57          3HD1      LEU  57   4.825  -8.170  20.504
  284   1HD2  LEU  57          1HD2      LEU  57   7.171  -6.569  20.950
  285   2HD2  LEU  57          2HD2      LEU  57   7.599  -7.678  19.647
  286   3HD2  LEU  57          3HD2      LEU  57   8.596  -7.598  21.096
  287    H    ASP  58           H        ASP  58   6.927  -5.565  24.467
  288    HA   ASP  58           HA       ASP  58   6.112  -6.328  27.220
  289   1HB   ASP  58          1HB       ASP  58   7.844  -4.724  27.268
  290   2HB   ASP  58          2HB       ASP  58   7.191  -3.833  25.921
  291    HA   PRO  59           HA       PRO  59   1.967  -5.382  25.702
  292   1HB   PRO  59          1HB       PRO  59   0.567  -5.504  28.029
  293   2HB   PRO  59          2HB       PRO  59   1.243  -6.950  27.254
  294   1HG   PRO  59          1HG       PRO  59   2.324  -5.350  29.543
  295   2HG   PRO  59          2HG       PRO  59   2.207  -7.104  29.361
  296   1HD   PRO  59          1HD       PRO  59   4.531  -5.706  28.887
  297   2HD   PRO  59          2HD       PRO  59   4.133  -7.227  28.060
  298    H    ALA  60           H        ALA  60   3.599  -3.369  28.022
  299    HA   ALA  60           HA       ALA  60   1.479  -1.322  28.026
  300   1HB   ALA  60          1HB       ALA  60   2.796  -0.194  29.633
  301   2HB   ALA  60          2HB       ALA  60   4.279  -0.988  29.103
  302   3HB   ALA  60          3HB       ALA  60   3.057  -1.903  29.985
  303    H    LYS  61           H        LYS  61   4.769  -1.703  26.715
  304    HA   LYS  61           HA       LYS  61   4.815   0.904  25.506
  305   1HB   LYS  61          1HB       LYS  61   6.686  -1.101  25.976
  306   2HB   LYS  61          2HB       LYS  61   6.517  -1.153  24.230
  307   1HG   LYS  61          1HG       LYS  61   6.897   1.328  24.179
  308   2HG   LYS  61          2HG       LYS  61   7.199   1.267  25.913
  309   1HD   LYS  61          1HD       LYS  61   8.743  -0.500  24.005
  310   2HD   LYS  61          2HD       LYS  61   9.244   1.163  24.299
  311   1HE   LYS  61          1HE       LYS  61   9.264   0.640  26.769
  312   2HE   LYS  61          2HE       LYS  61   8.979  -1.050  26.354
  313   1HZ   LYS  61          1HZ       LYS  61  11.396  -0.042  26.617
  314   2HZ   LYS  61          2HZ       LYS  61  11.157   0.301  24.970
  315   3HZ   LYS  61          3HZ       LYS  61  11.051  -1.299  25.532
  316    H    VAL  62           H        VAL  62   3.666  -2.256  24.427
  317    HA   VAL  62           HA       VAL  62   3.455  -1.568  21.635
  318    HB   VAL  62           HB       VAL  62   2.006  -3.621  23.335
  319   1HG1  VAL  62          1HG1      VAL  62   1.437  -4.611  21.037
  320   2HG1  VAL  62          2HG1      VAL  62   1.848  -3.029  20.371
  321   3HG1  VAL  62          3HG1      VAL  62   0.519  -3.185  21.522
  322   1HG2  VAL  62          1HG2      VAL  62   4.082  -4.009  21.165
  323   2HG2  VAL  62          2HG2      VAL  62   3.521  -5.193  22.345
  324   3HG2  VAL  62          3HG2      VAL  62   4.505  -3.827  22.866
  325    H    GLN  63           H        GLN  63   0.988  -1.657  24.240
  326    HA   GLN  63           HA       GLN  63  -1.135  -0.552  22.716
  327   1HB   GLN  63          1HB       GLN  63  -0.452  -0.508  25.658
  328   2HB   GLN  63          2HB       GLN  63  -1.867   0.351  25.061
  329   1HG   GLN  63          1HG       GLN  63  -3.067  -1.588  24.930
  330   2HG   GLN  63          2HG       GLN  63  -1.830  -2.351  23.938
  331   1HE2  GLN  63          1HE2      GLN  63  -1.192  -4.266  24.882
  332   2HE2  GLN  63          2HE2      GLN  63  -0.956  -4.509  26.544
  333    H    SER  64           H        SER  64   1.490   1.022  24.506
  334    HA   SER  64           HA       SER  64   0.576   3.709  24.203
  335   1HB   SER  64          1HB       SER  64   2.422   3.113  25.716
  336   2HB   SER  64          2HB       SER  64   3.416   2.645  24.337
  337    HG   SER  64           HG       SER  64   3.996   4.653  24.343
  338    H    LEU  65           H        LEU  65   2.517   1.615  22.082
  339    HA   LEU  65           HA       LEU  65   2.989   3.692  20.118
  340   1HB   LEU  65          1HB       LEU  65   3.446   0.749  20.356
  341   2HB   LEU  65          2HB       LEU  65   3.374   1.390  18.723
  342    HG   LEU  65           HG       LEU  65   5.097   2.762  20.786
  343   1HD1  LEU  65          1HD1      LEU  65   5.743   0.248  19.238
  344   2HD1  LEU  65          2HD1      LEU  65   5.888   0.520  20.974
  345   3HD1  LEU  65          3HD1      LEU  65   6.995   1.323  19.861
  346   1HD2  LEU  65          1HD2      LEU  65   5.246   2.424  17.773
  347   2HD2  LEU  65          2HD2      LEU  65   6.427   3.301  18.744
  348   3HD2  LEU  65          3HD2      LEU  65   4.768   3.885  18.636
  349    H    VAL  66           H        VAL  66   0.728   0.932  20.335
  350    HA   VAL  66           HA       VAL  66  -0.622   1.319  17.888
  351    HB   VAL  66           HB       VAL  66  -1.505   0.296  20.593
  352   1HG1  VAL  66          1HG1      VAL  66  -3.539  -0.589  19.334
  353   2HG1  VAL  66          2HG1      VAL  66  -3.148   0.587  18.080
  354   3HG1  VAL  66          3HG1      VAL  66  -3.546   1.133  19.709
  355   1HG2  VAL  66          1HG2      VAL  66  -0.947  -0.992  17.909
  356   2HG2  VAL  66          2HG2      VAL  66  -1.616  -1.857  19.291
  357   3HG2  VAL  66          3HG2      VAL  66   0.002  -1.161  19.386
  358    H    ASP  67           H        ASP  67  -0.913   2.981  20.986
  359    HA   ASP  67           HA       ASP  67  -3.228   4.560  20.202
  360   1HB   ASP  67          1HB       ASP  67  -1.266   4.593  22.492
  361   2HB   ASP  67          2HB       ASP  67  -2.377   5.937  22.266
  362    H    THR  68           H        THR  68   0.286   4.966  20.113
  363    HA   THR  68           HA       THR  68   0.268   7.774  19.505
  364    HB   THR  68           HB       THR  68   2.386   5.837  18.555
  365    HG1  THR  68           HG1      THR  68   1.823   6.746  21.172
  366   1HG2  THR  68          1HG2      THR  68   3.857   7.677  18.839
  367   2HG2  THR  68          2HG2      THR  68   2.687   8.561  19.818
  368   3HG2  THR  68          3HG2      THR  68   2.416   8.361  18.088
  369    H    ILE  69           H        ILE  69   0.595   4.896  17.412
  370    HA   ILE  69           HA       ILE  69   0.635   6.275  14.934
  371    HB   ILE  69           HB       ILE  69  -0.554   3.540  15.505
  372   1HG1  ILE  69          1HG1      ILE  69   2.289   4.460  14.986
  373   2HG1  ILE  69          2HG1      ILE  69   1.690   3.597  16.396
  374   1HG2  ILE  69          1HG2      ILE  69   0.755   4.577  12.972
  375   2HG2  ILE  69          2HG2      ILE  69  -0.989   4.612  13.225
  376   3HG2  ILE  69          3HG2      ILE  69  -0.138   3.072  13.179
  377   1HD1  ILE  69          1HD1      ILE  69   1.073   1.692  14.830
  378   2HD1  ILE  69          2HD1      ILE  69   2.800   1.966  15.046
  379   3HD1  ILE  69          3HD1      ILE  69   1.994   2.532  13.583
  380    H    ARG  70           H        ARG  70  -2.094   5.096  16.886
  381    HA   ARG  70           HA       ARG  70  -4.080   5.964  14.941
  382   1HB   ARG  70          1HB       ARG  70  -4.081   4.685  17.630
  383   2HB   ARG  70          2HB       ARG  70  -5.496   5.665  17.286
  384   1HG   ARG  70          1HG       ARG  70  -5.777   4.389  15.135
  385   2HG   ARG  70          2HG       ARG  70  -4.456   3.338  15.645
  386   1HD   ARG  70          1HD       ARG  70  -6.708   2.405  16.205
  387   2HD   ARG  70          2HD       ARG  70  -5.707   2.670  17.632
  388    HE   ARG  70           HE       ARG  70  -7.291   4.252  18.352
  389   1HH1  ARG  70          1HH1      ARG  70  -7.481   3.702  14.953
  390   2HH1  ARG  70          2HH1      ARG  70  -8.874   4.708  14.734
  391   1HH2  ARG  70          1HH2      ARG  70  -9.108   5.569  18.084
  392   2HH2  ARG  70          2HH2      ARG  70  -9.795   5.765  16.506
  393    H    GLU  71           H        GLU  71  -2.605   7.402  17.824
  394    HA   GLU  71           HA       GLU  71  -4.492   9.660  17.794
  395   1HB   GLU  71          1HB       GLU  71  -3.512   8.731  19.914
  396   2HB   GLU  71          2HB       GLU  71  -1.938   9.332  19.392
  397   1HG   GLU  71          1HG       GLU  71  -2.720  11.609  19.404
  398   2HG   GLU  71          2HG       GLU  71  -4.388  11.093  19.652
  399    H    ASP  72           H        ASP  72  -1.143   9.010  16.857
  400    HA   ASP  72           HA       ASP  72  -1.177  11.379  15.124
  401   1HB   ASP  72          1HB       ASP  72  -0.500  12.172  17.437
  402   2HB   ASP  72          2HB       ASP  72   0.945  11.179  17.261
  403    HA   PRO  73           HA       PRO  73   1.383   7.930  13.464
  404   1HB   PRO  73          1HB       PRO  73   1.007   8.426  10.807
  405   2HB   PRO  73          2HB       PRO  73  -0.184   7.572  11.806
  406   1HG   PRO  73          1HG       PRO  73  -0.144  10.430  10.931
  407   2HG   PRO  73          2HG       PRO  73  -1.503   9.297  11.010
  408   1HD   PRO  73          1HD       PRO  73  -1.021  11.206  12.923
  409   2HD   PRO  73          2HD       PRO  73  -1.849   9.676  13.276
  410    H    ASP  74           H        ASP  74   1.807  11.322  13.240
  411    HA   ASP  74           HA       ASP  74   4.253  11.176  11.606
  412   1HB   ASP  74          1HB       ASP  74   2.814  13.427  13.023
  413   2HB   ASP  74          2HB       ASP  74   4.392  13.654  12.269
  414    H    SER  75           H        SER  75   3.406  11.311  15.030
  415    HA   SER  75           HA       SER  75   6.116  11.952  15.906
  416   1HB   SER  75          1HB       SER  75   5.117  11.128  18.156
  417   2HB   SER  75          2HB       SER  75   4.432  12.584  17.435
  418    HG   SER  75           HG       SER  75   3.415   9.966  17.067
  419    H    VAL  76           H        VAL  76   5.459   9.480  14.160
  420    HA   VAL  76           HA       VAL  76   6.900   7.480  15.861
  421    HB   VAL  76           HB       VAL  76   4.937   6.655  13.724
  422   1HG1  VAL  76          1HG1      VAL  76   6.575   5.079  14.983
  423   2HG1  VAL  76          2HG1      VAL  76   4.880   4.604  14.896
  424   3HG1  VAL  76          3HG1      VAL  76   5.515   5.320  16.376
  425   1HG2  VAL  76          1HG2      VAL  76   3.258   6.482  15.656
  426   2HG2  VAL  76          2HG2      VAL  76   3.567   8.099  15.024
  427   3HG2  VAL  76          3HG2      VAL  76   4.320   7.583  16.533
  428    HA   PRO  77           HA       PRO  77   9.337   8.151  12.043
  429   1HB   PRO  77          1HB       PRO  77  11.794   7.439  13.063
  430   2HB   PRO  77          2HB       PRO  77  11.071   9.043  13.255
  431   1HG   PRO  77          1HG       PRO  77  11.288   6.798  15.194
  432   2HG   PRO  77          2HG       PRO  77  11.296   8.543  15.486
  433   1HD   PRO  77          1HD       PRO  77   9.098   6.823  15.873
  434   2HD   PRO  77          2HD       PRO  77   9.008   8.594  15.770
  435    HA   PRO  78           HA       PRO  78   9.653   4.009  10.475
  436   1HB   PRO  78          1HB       PRO  78  11.597   4.252   8.574
  437   2HB   PRO  78          2HB       PRO  78   9.992   4.981   8.402
  438   1HG   PRO  78          1HG       PRO  78  12.568   6.240   9.256
  439   2HG   PRO  78          2HG       PRO  78  11.328   6.862   8.158
  440   1HD   PRO  78          1HD       PRO  78  11.532   7.646  10.778
  441   2HD   PRO  78          2HD       PRO  78   9.994   7.629   9.902
  442    H    ILE  79           H        ILE  79  11.240   2.179  10.083
  443    HA   ILE  79           HA       ILE  79  13.393   2.227  12.176
  444    HB   ILE  79           HB       ILE  79  13.166  -0.321  11.923
  445   1HG1  ILE  79          1HG1      ILE  79  10.490   0.410  10.711
  446   2HG1  ILE  79          2HG1      ILE  79  11.879   0.001   9.703
  447   1HG2  ILE  79          1HG2      ILE  79  10.931  -0.272  13.224
  448   2HG2  ILE  79          2HG2      ILE  79  10.998   1.477  13.016
  449   3HG2  ILE  79          3HG2      ILE  79  12.279   0.644  13.896
  450   1HD1  ILE  79          1HD1      ILE  79  12.093  -2.154  10.931
  451   2HD1  ILE  79          2HD1      ILE  79  10.544  -2.004  10.100
  452   3HD1  ILE  79          3HD1      ILE  79  10.638  -1.751  11.842
  453    H    ASP  80           H        ASP  80  15.302   0.785  11.626
  454    HA   ASP  80           HA       ASP  80  16.226   1.405   8.890
  455   1HB   ASP  80          1HB       ASP  80  17.505   0.439  11.449
  456   2HB   ASP  80          2HB       ASP  80  18.359   0.271   9.922
  457    H    VAL  81           H        VAL  81  16.404  -0.151   7.312
  458    HA   VAL  81           HA       VAL  81  16.151  -3.034   8.078
  459    HB   VAL  81           HB       VAL  81  14.435  -1.475   6.127
  460   1HG1  VAL  81          1HG1      VAL  81  14.903  -4.462   6.284
  461   2HG1  VAL  81          2HG1      VAL  81  15.095  -3.418   4.875
  462   3HG1  VAL  81          3HG1      VAL  81  13.487  -3.746   5.519
  463   1HG2  VAL  81          1HG2      VAL  81  13.922  -3.265   8.515
  464   2HG2  VAL  81          2HG2      VAL  81  12.647  -2.759   7.406
  465   3HG2  VAL  81          3HG2      VAL  81  13.528  -1.554   8.343
  466    H    LEU  82           H        LEU  82  17.398  -4.376   6.829
  467    HA   LEU  82           HA       LEU  82  19.311  -3.084   4.995
  468   1HB   LEU  82          1HB       LEU  82  19.083  -5.983   5.848
  469   2HB   LEU  82          2HB       LEU  82  20.452  -5.252   5.015
  470    HG   LEU  82           HG       LEU  82  19.514  -4.101   7.648
  471   1HD1  LEU  82          1HD1      LEU  82  19.824  -6.536   7.997
  472   2HD1  LEU  82          2HD1      LEU  82  21.050  -5.585   8.836
  473   3HD1  LEU  82          3HD1      LEU  82  21.451  -6.410   7.329
  474   1HD2  LEU  82          1HD2      LEU  82  21.931  -3.522   7.811
  475   2HD2  LEU  82          2HD2      LEU  82  21.178  -2.838   6.372
  476   3HD2  LEU  82          3HD2      LEU  82  22.194  -4.273   6.238
  477    H    TRP  83           H        TRP  83  19.238  -3.226   2.818
  478    HA   TRP  83           HA       TRP  83  17.089  -4.891   1.557
  479   1HB   TRP  83          1HB       TRP  83  16.891  -2.450   1.283
  480   2HB   TRP  83          2HB       TRP  83  18.518  -2.382   0.648
  481    HD1  TRP  83           HD1      TRP  83  16.623  -5.343  -0.696
  482    HE1  TRP  83           HE1      TRP  83  15.899  -4.834  -3.125
  483    HE3  TRP  83           HE3      TRP  83  17.649  -0.357  -0.883
  484    HZ2  TRP  83           HZ2      TRP  83  15.782  -2.591  -4.907
  485    HZ3  TRP  83           HZ3      TRP  83  17.231   0.946  -2.960
  486    HH2  TRP  83           HH2      TRP  83  16.310  -0.173  -4.966
  487    H    ILE  84           H        ILE  84  18.026  -6.760   0.774
  488    HA   ILE  84           HA       ILE  84  20.632  -6.517  -0.706
  489    HB   ILE  84           HB       ILE  84  19.788  -8.874   1.006
  490   1HG1  ILE  84          1HG1      ILE  84  21.693  -6.589   1.594
  491   2HG1  ILE  84          2HG1      ILE  84  20.181  -6.924   2.436
  492   1HG2  ILE  84          1HG2      ILE  84  22.028  -9.662   0.642
  493   2HG2  ILE  84          2HG2      ILE  84  22.511  -8.134  -0.093
  494   3HG2  ILE  84          3HG2      ILE  84  21.403  -9.211  -0.943
  495   1HD1  ILE  84          1HD1      ILE  84  21.159  -9.211   3.003
  496   2HD1  ILE  84          2HD1      ILE  84  21.915  -7.835   3.807
  497   3HD1  ILE  84          3HD1      ILE  84  22.705  -8.591   2.424
  498    H    LYS  85           H        LYS  85  20.806  -7.760  -2.568
  499    HA   LYS  85           HA       LYS  85  18.264  -9.017  -3.541
  500   1HB   LYS  85          1HB       LYS  85  20.497  -7.504  -4.875
  501   2HB   LYS  85          2HB       LYS  85  19.604  -8.695  -5.819
  502   1HG   LYS  85          1HG       LYS  85  17.506  -7.580  -5.303
  503   2HG   LYS  85          2HG       LYS  85  18.354  -6.439  -4.261
  504   1HD   LYS  85          1HD       LYS  85  19.393  -5.346  -6.057
  505   2HD   LYS  85          2HD       LYS  85  19.158  -6.715  -7.142
  506   1HE   LYS  85          1HE       LYS  85  17.600  -4.985  -7.782
  507   2HE   LYS  85          2HE       LYS  85  16.675  -6.280  -7.029
  508   1HZ   LYS  85          1HZ       LYS  85  17.207  -4.839  -4.902
  509   2HZ   LYS  85          2HZ       LYS  85  15.859  -4.526  -5.888
  510   3HZ   LYS  85          3HZ       LYS  85  17.273  -3.597  -6.056
  511    H    GLY  86           H        GLY  86  18.463 -10.950  -4.818
  512   1HA   GLY  86          1HA       GLY  86  20.668 -12.696  -3.846
  513   2HA   GLY  86          2HA       GLY  86  19.133 -13.251  -4.507
  514    H    ALA  87           H        ALA  87  20.726 -14.628  -5.740
  515    HA   ALA  87           HA       ALA  87  22.388 -13.469  -7.779
  516   1HB   ALA  87          1HB       ALA  87  22.949 -15.670  -7.144
  517   2HB   ALA  87          2HB       ALA  87  22.211 -15.879  -8.732
  518   3HB   ALA  87          3HB       ALA  87  21.282 -16.230  -7.273
  519    H    GLN  88           H        GLN  88  19.006 -13.631  -7.585
  520    HA   GLN  88           HA       GLN  88  18.789 -13.321 -10.566
  521   1HB   GLN  88          1HB       GLN  88  16.693 -14.632  -8.823
  522   2HB   GLN  88          2HB       GLN  88  16.760 -14.586 -10.587
  523   1HG   GLN  88          1HG       GLN  88  19.011 -15.802 -10.377
  524   2HG   GLN  88          2HG       GLN  88  18.574 -16.092  -8.693
  525   1HE2  GLN  88          1HE2      GLN  88  18.728 -18.453  -9.721
  526   2HE2  GLN  88          2HE2      GLN  88  17.267 -19.075 -10.312
  527    H    GLY  89           H        GLY  89  19.018 -11.241  -8.498
  528   1HA   GLY  89          1HA       GLY  89  18.063  -9.108  -8.255
  529   2HA   GLY  89          2HA       GLY  89  16.824  -9.583  -9.402
  530    H    GLY  90           H        GLY  90  16.438 -11.996  -7.385
  531   1HA   GLY  90          1HA       GLY  90  14.066 -11.180  -6.211
  532   2HA   GLY  90          2HA       GLY  90  15.083 -12.440  -5.525
  533    H    ASP  91           H        ASP  91  13.851  -9.346  -5.062
  534    HA   ASP  91           HA       ASP  91  15.959  -8.344  -3.318
  535   1HB   ASP  91          1HB       ASP  91  13.185  -7.449  -4.069
  536   2HB   ASP  91          2HB       ASP  91  13.950  -6.748  -2.652
  537    H    TYR  92           H        TYR  92  16.119  -8.637  -1.154
  538    HA   TYR  92           HA       TYR  92  13.894 -10.047   0.288
  539   1HB   TYR  92          1HB       TYR  92  16.881 -10.556   0.510
  540   2HB   TYR  92          2HB       TYR  92  15.646 -11.310   1.518
  541    HD1  TYR  92           HD1      TYR  92  14.031 -12.921   0.541
  542    HD2  TYR  92           HD2      TYR  92  17.190 -11.215  -1.820
  543    HE1  TYR  92           HE1      TYR  92  13.667 -14.647  -1.195
  544    HE2  TYR  92           HE2      TYR  92  16.824 -12.942  -3.550
  545    HH   TYR  92           HH       TYR  92  15.572 -14.651  -4.207
  546    H    PHE  93           H        PHE  93  13.266  -8.897   2.071
  547    HA   PHE  93           HA       PHE  93  15.026  -6.683   3.003
  548   1HB   PHE  93          1HB       PHE  93  12.074  -7.172   3.517
  549   2HB   PHE  93          2HB       PHE  93  12.984  -5.732   3.938
  550    HD1  PHE  93           HD1      PHE  93  11.133  -7.417   1.350
  551    HD2  PHE  93           HD2      PHE  93  14.085  -4.369   2.047
  552    HE1  PHE  93           HE1      PHE  93  10.731  -6.508  -0.917
  553    HE2  PHE  93           HE2      PHE  93  13.680  -3.470  -0.220
  554    HZ   PHE  93           HZ       PHE  93  12.006  -4.533  -1.703
  555    H    TYR  94           H        TYR  94  16.092  -6.942   4.844
  556    HA   TYR  94           HA       TYR  94  15.197  -9.009   6.810
  557   1HB   TYR  94          1HB       TYR  94  17.857  -7.980   5.897
  558   2HB   TYR  94          2HB       TYR  94  17.727  -8.430   7.597
  559    HD1  TYR  94           HD1      TYR  94  17.612  -9.655   4.132
  560    HD2  TYR  94           HD2      TYR  94  17.276 -10.697   8.281
  561    HE1  TYR  94           HE1      TYR  94  17.801 -12.052   3.540
  562    HE2  TYR  94           HE2      TYR  94  17.466 -13.097   7.687
  563    HH   TYR  94           HH       TYR  94  17.644 -14.151   4.297
  564    H    SER  95           H        SER  95  14.411  -8.295   8.697
  565    HA   SER  95           HA       SER  95  14.993  -5.467   9.544
  566   1HB   SER  95          1HB       SER  95  12.502  -6.949   9.262
  567   2HB   SER  95          2HB       SER  95  12.696  -6.399  10.923
  568    HG   SER  95           HG       SER  95  12.633  -4.382  10.309
  569    H    PHE  96           H        PHE  96  16.315  -5.436  11.294
  570    HA   PHE  96           HA       PHE  96  16.171  -7.685  13.284
  571   1HB   PHE  96          1HB       PHE  96  18.525  -6.007  12.378
  572   2HB   PHE  96          2HB       PHE  96  18.529  -6.993  13.838
  573    HD1  PHE  96           HD1      PHE  96  19.292  -6.993  10.405
  574    HD2  PHE  96           HD2      PHE  96  17.681  -9.509  13.477
  575    HE1  PHE  96           HE1      PHE  96  19.901  -8.986   9.079
  576    HE2  PHE  96           HE2      PHE  96  18.282 -11.511  12.143
  577    HZ   PHE  96           HZ       PHE  96  19.395 -11.250   9.948
  578    H    GLY  97           H        GLY  97  14.548  -6.424  14.344
  579   1HA   GLY  97          1HA       GLY  97  14.834  -5.101  16.584
  580   2HA   GLY  97          2HA       GLY  97  15.383  -3.809  15.513
  581    H    GLY  98           H        GLY  98  13.560  -2.469  16.074
  582   1HA   GLY  98          1HA       GLY  98  11.318  -1.740  15.953
  583   2HA   GLY  98          2HA       GLY  98  11.391  -2.459  14.348
  584    H    CYS  99           H        CYS  99  11.923  -4.688  16.886
  585    HA   CYS  99           HA       CYS  99   9.833  -6.413  16.208
  586   1HB   CYS  99          1HB       CYS  99  10.801  -6.124  19.053
  587   2HB   CYS  99          2HB       CYS  99  10.321  -7.589  18.199
  588    HG   CYS  99           HG       CYS  99  12.748  -7.817  17.733
  589    H    HIS 100           H        HIS 100   9.825  -3.958  18.807
  590    HA   HIS 100           HA       HIS 100   7.108  -4.459  19.592
  591   1HB   HIS 100          1HB       HIS 100   9.045  -2.189  20.005
  592   2HB   HIS 100          2HB       HIS 100   7.367  -2.011  20.511
  593    HD1  HIS 100           HD1      HIS 100  10.329  -4.344  21.045
  594    HD2  HIS 100           HD2      HIS 100   6.780  -3.251  22.945
  595    HE1  HIS 100           HE1      HIS 100  10.334  -5.503  23.297
  596    H    ARG 101           H        ARG 101   8.459  -1.796  17.586
  597    HA   ARG 101           HA       ARG 101   5.992  -0.620  16.910
  598   1HB   ARG 101          1HB       ARG 101   8.574  -0.838  15.352
  599   2HB   ARG 101          2HB       ARG 101   7.189   0.069  14.751
  600   1HG   ARG 101          1HG       ARG 101   7.192   1.434  16.810
  601   2HG   ARG 101          2HG       ARG 101   8.579   0.525  17.409
  602   1HD   ARG 101          1HD       ARG 101   8.660   1.950  14.747
  603   2HD   ARG 101          2HD       ARG 101   9.060   2.781  16.250
  604    HE   ARG 101           HE       ARG 101  10.688   0.733  14.930
  605   1HH1  ARG 101          1HH1      ARG 101   9.869   2.410  17.829
  606   2HH1  ARG 101          2HH1      ARG 101  11.395   2.110  18.592
  607   1HH2  ARG 101          1HH2      ARG 101  12.685   0.331  15.910
  608   2HH2  ARG 101          2HH2      ARG 101  12.989   0.932  17.505
  609    H    TYR 102           H        TYR 102   7.483  -3.554  15.656
  610    HA   TYR 102           HA       TYR 102   5.784  -3.842  13.356
  611   1HB   TYR 102          1HB       TYR 102   7.776  -5.178  13.461
  612   2HB   TYR 102          2HB       TYR 102   7.333  -5.836  15.031
  613    HD1  TYR 102           HD1      TYR 102   5.495  -7.438  15.259
  614    HD2  TYR 102           HD2      TYR 102   6.809  -6.073  11.410
  615    HE1  TYR 102           HE1      TYR 102   4.298  -9.321  14.189
  616    HE2  TYR 102           HE2      TYR 102   5.618  -7.964  10.332
  617    HH   TYR 102           HH       TYR 102   4.456 -10.623  12.053
  618    H    ALA 103           H        ALA 103   5.531  -5.000  16.716
  619    HA   ALA 103           HA       ALA 103   3.104  -6.468  16.419
  620   1HB   ALA 103          1HB       ALA 103   4.322  -6.738  18.460
  621   2HB   ALA 103          2HB       ALA 103   2.818  -5.929  18.903
  622   3HB   ALA 103          3HB       ALA 103   4.312  -5.002  18.773
  623    H    ALA 104           H        ALA 104   3.668  -3.034  17.205
  624    HA   ALA 104           HA       ALA 104   0.929  -2.357  17.606
  625   1HB   ALA 104          1HB       ALA 104   2.550  -0.768  18.321
  626   2HB   ALA 104          2HB       ALA 104   1.737  -0.009  16.951
  627   3HB   ALA 104          3HB       ALA 104   3.329  -0.738  16.738
  628    H    TYR 105           H        TYR 105   2.953  -2.146  14.661
  629    HA   TYR 105           HA       TYR 105   0.816  -1.209  12.984
  630   1HB   TYR 105          1HB       TYR 105   3.573  -2.312  12.614
  631   2HB   TYR 105          2HB       TYR 105   2.505  -2.404  11.222
  632    HD1  TYR 105           HD1      TYR 105   4.408  -0.197  13.426
  633    HD2  TYR 105           HD2      TYR 105   1.547  -0.342  10.226
  634    HE1  TYR 105           HE1      TYR 105   4.829   2.198  12.943
  635    HE2  TYR 105           HE2      TYR 105   1.966   2.055   9.744
  636    HH   TYR 105           HH       TYR 105   3.022   3.900  10.383
  637    H    GLN 106           H        GLN 106   2.111  -4.448  13.694
  638    HA   GLN 106           HA       GLN 106   0.451  -5.887  11.886
  639   1HB   GLN 106          1HB       GLN 106   2.480  -6.751  13.165
  640   2HB   GLN 106          2HB       GLN 106   1.438  -6.867  14.580
  641   1HG   GLN 106          1HG       GLN 106   0.686  -8.173  11.965
  642   2HG   GLN 106          2HG       GLN 106   1.727  -8.990  13.120
  643   1HE2  GLN 106          1HE2      GLN 106   0.746  -9.415  15.344
  644   2HE2  GLN 106          2HE2      GLN 106  -0.940  -9.508  15.487
  645    H    GLN 107           H        GLN 107   0.021  -4.995  15.300
  646    HA   GLN 107           HA       GLN 107  -2.472  -6.285  15.729
  647   1HB   GLN 107          1HB       GLN 107  -1.038  -5.265  17.511
  648   2HB   GLN 107          2HB       GLN 107  -1.521  -3.669  16.941
  649   1HG   GLN 107          1HG       GLN 107  -3.579  -5.743  17.718
  650   2HG   GLN 107          2HG       GLN 107  -2.839  -4.695  18.925
  651   1HE2  GLN 107          1HE2      GLN 107  -5.611  -4.473  18.430
  652   2HE2  GLN 107          2HE2      GLN 107  -5.923  -3.000  17.648
  653    H    LEU 108           H        LEU 108  -1.764  -2.967  14.599
  654    HA   LEU 108           HA       LEU 108  -4.535  -2.233  14.309
  655   1HB   LEU 108          1HB       LEU 108  -2.002  -1.131  13.070
  656   2HB   LEU 108          2HB       LEU 108  -3.587  -0.398  12.838
  657    HG   LEU 108           HG       LEU 108  -2.337  -0.914  15.558
  658   1HD1  LEU 108          1HD1      LEU 108  -2.597   1.770  14.194
  659   2HD1  LEU 108          2HD1      LEU 108  -1.141   0.788  14.049
  660   3HD1  LEU 108          3HD1      LEU 108  -1.660   1.363  15.633
  661   1HD2  LEU 108          1HD2      LEU 108  -4.155   1.006  16.017
  662   2HD2  LEU 108          2HD2      LEU 108  -4.591  -0.697  16.037
  663   3HD2  LEU 108          3HD2      LEU 108  -4.923   0.278  14.607
  664    H    GLN 109           H        GLN 109  -3.101  -4.684  12.842
  665    HA   GLN 109           HA       GLN 109  -3.349  -5.779  10.780
  666   1HB   GLN 109          1HB       GLN 109  -5.731  -5.563  11.804
  667   2HB   GLN 109          2HB       GLN 109  -5.991  -4.327  10.575
  668   1HG   GLN 109          1HG       GLN 109  -6.744  -6.354   9.579
  669   2HG   GLN 109          2HG       GLN 109  -5.150  -6.072   8.880
  670   1HE2  GLN 109          1HE2      GLN 109  -5.603  -8.629   8.648
  671   2HE2  GLN 109          2HE2      GLN 109  -4.957  -9.575   9.901
  672    H    ARG 110           H        ARG 110  -1.952  -3.254  10.597
  673    HA   ARG 110           HA       ARG 110  -2.995  -1.758   8.340
  674   1HB   ARG 110          1HB       ARG 110  -0.259  -1.873   9.644
  675   2HB   ARG 110          2HB       ARG 110  -0.650  -0.775   8.324
  676   1HG   ARG 110          1HG       ARG 110  -2.409  -0.816  10.779
  677   2HG   ARG 110          2HG       ARG 110  -0.872   0.041  10.834
  678   1HD   ARG 110          1HD       ARG 110  -1.508   1.452   8.973
  679   2HD   ARG 110          2HD       ARG 110  -2.973   0.514   8.700
  680    HE   ARG 110           HE       ARG 110  -3.986   1.603  10.550
  681   1HH1  ARG 110          1HH1      ARG 110  -0.598   2.224  10.313
  682   2HH1  ARG 110          2HH1      ARG 110  -0.617   3.494  11.489
  683   1HH2  ARG 110          1HH2      ARG 110  -4.024   3.254  12.087
  684   2HH2  ARG 110          2HH2      ARG 110  -2.555   4.075  12.495
  685    H    GLU 111           H        GLU 111  -2.079  -1.778   6.194
  686    HA   GLU 111           HA       GLU 111  -1.438  -4.480   5.298
  687   1HB   GLU 111          1HB       GLU 111  -1.874  -1.831   3.927
  688   2HB   GLU 111          2HB       GLU 111  -1.208  -3.193   3.026
  689   1HG   GLU 111          1HG       GLU 111  -3.739  -3.442   4.664
  690   2HG   GLU 111          2HG       GLU 111  -3.761  -2.925   2.980
  691    H    THR 112           H        THR 112   0.364  -1.384   5.494
  692    HA   THR 112           HA       THR 112   2.894  -2.973   5.099
  693    HB   THR 112           HB       THR 112   3.775  -0.943   3.903
  694    HG1  THR 112           HG1      THR 112   1.212  -0.124   4.523
  695   1HG2  THR 112          1HG2      THR 112   1.810  -2.879   2.918
  696   2HG2  THR 112          2HG2      THR 112   3.263  -2.264   2.131
  697   3HG2  THR 112          3HG2      THR 112   1.754  -1.370   2.007
  698    H    ILE 113           H        ILE 113   4.828  -1.443   5.705
  699    HA   ILE 113           HA       ILE 113   4.148   0.226   8.081
  700    HB   ILE 113           HB       ILE 113   4.784  -2.105   8.814
  701   1HG1  ILE 113          1HG1      ILE 113   6.767   0.042   9.613
  702   2HG1  ILE 113          2HG1      ILE 113   5.102  -0.003  10.192
  703   1HG2  ILE 113          1HG2      ILE 113   6.545  -2.275   6.918
  704   2HG2  ILE 113          2HG2      ILE 113   7.000  -2.907   8.500
  705   3HG2  ILE 113          3HG2      ILE 113   7.586  -1.328   7.978
  706   1HD1  ILE 113          1HD1      ILE 113   6.450  -1.092  11.860
  707   2HD1  ILE 113          2HD1      ILE 113   7.277  -2.064  10.643
  708   3HD1  ILE 113          3HD1      ILE 113   5.577  -2.366  11.007
  709    HA   PRO 114           HA       PRO 114   7.264   2.772   6.043
  710   1HB   PRO 114          1HB       PRO 114   7.775   4.166   8.610
  711   2HB   PRO 114          2HB       PRO 114   7.119   4.814   7.097
  712   1HG   PRO 114          1HG       PRO 114   5.608   4.471   9.309
  713   2HG   PRO 114          2HG       PRO 114   4.951   4.300   7.673
  714   1HD   PRO 114          1HD       PRO 114   5.770   2.153   9.620
  715   2HD   PRO 114          2HD       PRO 114   4.359   2.230   8.550
  716    H    ALA 115           H        ALA 115   9.393   2.284   5.698
  717    HA   ALA 115           HA       ALA 115  11.168   1.633   7.972
  718   1HB   ALA 115          1HB       ALA 115  10.779  -0.290   5.658
  719   2HB   ALA 115          2HB       ALA 115  10.135  -0.536   7.282
  720   3HB   ALA 115          3HB       ALA 115  11.880  -0.497   7.021
  721    H    LYS 116           H        LYS 116  13.196   2.374   7.583
  722    HA   LYS 116           HA       LYS 116  13.724   3.782   5.079
  723   1HB   LYS 116          1HB       LYS 116  15.128   3.429   7.717
  724   2HB   LYS 116          2HB       LYS 116  16.079   3.960   6.340
  725   1HG   LYS 116          1HG       LYS 116  14.529   5.843   5.980
  726   2HG   LYS 116          2HG       LYS 116  13.552   5.302   7.345
  727   1HD   LYS 116          1HD       LYS 116  15.281   5.783   8.908
  728   2HD   LYS 116          2HD       LYS 116  16.495   5.928   7.638
  729   1HE   LYS 116          1HE       LYS 116  15.647   8.130   8.607
  730   2HE   LYS 116          2HE       LYS 116  15.557   7.987   6.852
  731   1HZ   LYS 116          1HZ       LYS 116  13.212   7.082   7.325
  732   2HZ   LYS 116          2HZ       LYS 116  13.474   8.758   7.416
  733   3HZ   LYS 116          3HZ       LYS 116  13.386   7.831   8.837
  734    H    LEU 117           H        LEU 117  14.312   2.590   3.303
  735    HA   LEU 117           HA       LEU 117  15.551  -0.036   3.595
  736   1HB   LEU 117          1HB       LEU 117  15.330   1.675   1.099
  737   2HB   LEU 117          2HB       LEU 117  15.680  -0.050   1.155
  738    HG   LEU 117           HG       LEU 117  13.096   1.296   2.009
  739   1HD1  LEU 117          1HD1      LEU 117  12.227  -0.283   0.164
  740   2HD1  LEU 117          2HD1      LEU 117  13.914  -0.451  -0.319
  741   3HD1  LEU 117          3HD1      LEU 117  13.142   1.131  -0.366
  742   1HD2  LEU 117          1HD2      LEU 117  12.382  -1.216   2.158
  743   2HD2  LEU 117          2HD2      LEU 117  13.272  -0.516   3.506
  744   3HD2  LEU 117          3HD2      LEU 117  14.110  -1.529   2.328
  745    H    VAL 118           H        VAL 118  17.702  -0.556   3.421
  746    HA   VAL 118           HA       VAL 118  19.654   1.643   2.867
  747    HB   VAL 118           HB       VAL 118  19.622  -0.287   5.206
  748   1HG1  VAL 118          1HG1      VAL 118  21.814   1.520   4.167
  749   2HG1  VAL 118          2HG1      VAL 118  21.894  -0.219   4.453
  750   3HG1  VAL 118          3HG1      VAL 118  21.784   0.894   5.815
  751   1HG2  VAL 118          1HG2      VAL 118  19.812   2.735   5.158
  752   2HG2  VAL 118          2HG2      VAL 118  19.538   1.701   6.559
  753   3HG2  VAL 118          3HG2      VAL 118  18.289   1.864   5.326
  754    H    GLN 119           H        GLN 119  20.464   0.857   0.934
  755    HA   GLN 119           HA       GLN 119  20.673  -1.763   0.041
  756   1HB   GLN 119          1HB       GLN 119  22.654   0.505  -0.355
  757   2HB   GLN 119          2HB       GLN 119  22.693  -1.003  -1.268
  758   1HG   GLN 119          1HG       GLN 119  21.471   0.551  -2.619
  759   2HG   GLN 119          2HG       GLN 119  20.276  -0.525  -1.908
  760   1HE2  GLN 119          1HE2      GLN 119  18.509   0.973  -1.715
  761   2HE2  GLN 119          2HE2      GLN 119  18.585   2.386  -0.782
  762    H    SER 120           H        SER 120  21.966  -3.511   0.517
  763    HA   SER 120           HA       SER 120  24.379  -3.117   2.217
  764   1HB   SER 120          1HB       SER 120  21.927  -4.705   2.938
  765   2HB   SER 120          2HB       SER 120  23.497  -5.176   3.566
  766    HG   SER 120           HG       SER 120  22.138  -2.722   3.902
  767    H    THR 121           H        THR 121  25.321  -5.518   2.557
  768    HA   THR 121           HA       THR 121  25.162  -6.968  -0.065
  769    HB   THR 121           HB       THR 121  27.660  -7.419   0.358
  770    HG1  THR 121           HG1      THR 121  28.672  -6.075   1.754
  771   1HG2  THR 121          1HG2      THR 121  26.925  -5.935  -1.421
  772   2HG2  THR 121          2HG2      THR 121  28.306  -5.202  -0.604
  773   3HG2  THR 121          3HG2      THR 121  26.673  -4.625  -0.268
  774    H    LEU 122           H        LEU 122  25.830  -9.256   0.116
  775    HA   LEU 122           HA       LEU 122  24.554 -10.593   2.241
  776   1HB   LEU 122          1HB       LEU 122  25.232 -11.634   0.033
  777   2HB   LEU 122          2HB       LEU 122  26.878 -11.716   0.652
  778    HG   LEU 122           HG       LEU 122  26.003 -13.060   2.600
  779   1HD1  LEU 122          1HD1      LEU 122  23.696 -14.201   1.916
  780   2HD1  LEU 122          2HD1      LEU 122  23.445 -12.681   1.066
  781   3HD1  LEU 122          3HD1      LEU 122  23.715 -12.685   2.806
  782   1HD2  LEU 122          1HD2      LEU 122  25.533 -15.128   1.159
  783   2HD2  LEU 122          2HD2      LEU 122  27.051 -14.284   0.843
  784   3HD2  LEU 122          3HD2      LEU 122  25.674 -14.056  -0.235
  785    H    SER 123           H        SER 123  27.903  -9.468   2.002
  786    HA   SER 123           HA       SER 123  29.022 -10.876   4.182
  787   1HB   SER 123          1HB       SER 123  30.322  -9.419   2.645
  788   2HB   SER 123          2HB       SER 123  29.564  -8.002   3.370
  789    HG   SER 123           HG       SER 123  30.545  -8.458   5.292
  790    H    ASP 124           H        ASP 124  27.187  -7.805   4.170
  791    HA   ASP 124           HA       ASP 124  27.406  -7.264   6.952
  792   1HB   ASP 124          1HB       ASP 124  26.414  -5.748   5.141
  793   2HB   ASP 124          2HB       ASP 124  24.934  -6.692   5.300
  794    H    LEU 125           H        LEU 125  25.082  -9.258   5.135
  795    HA   LEU 125           HA       LEU 125  23.433  -9.893   7.371
  796   1HB   LEU 125          1HB       LEU 125  23.179 -10.366   4.751
  797   2HB   LEU 125          2HB       LEU 125  23.860 -11.923   5.198
  798    HG   LEU 125           HG       LEU 125  22.064 -12.069   6.997
  799   1HD1  LEU 125          1HD1      LEU 125  21.224  -9.530   5.615
  800   2HD1  LEU 125          2HD1      LEU 125  21.154  -9.948   7.323
  801   3HD1  LEU 125          3HD1      LEU 125  19.974 -10.619   6.209
  802   1HD2  LEU 125          1HD2      LEU 125  21.944 -13.299   4.869
  803   2HD2  LEU 125          2HD2      LEU 125  21.173 -11.910   4.104
  804   3HD2  LEU 125          3HD2      LEU 125  20.339 -12.785   5.387
  805    H    ARG 126           H        ARG 126  26.403 -11.388   6.128
  806    HA   ARG 126           HA       ARG 126  26.408 -13.693   7.817
  807   1HB   ARG 126          1HB       ARG 126  28.055 -13.744   6.148
  808   2HB   ARG 126          2HB       ARG 126  28.540 -12.077   6.431
  809   1HG   ARG 126          1HG       ARG 126  29.790 -12.635   8.357
  810   2HG   ARG 126          2HG       ARG 126  28.988 -14.190   8.537
  811   1HD   ARG 126          1HD       ARG 126  31.230 -14.548   7.653
  812   2HD   ARG 126          2HD       ARG 126  30.050 -14.942   6.403
  813    HE   ARG 126           HE       ARG 126  30.959 -12.177   6.260
  814   1HH1  ARG 126          1HH1      ARG 126  31.587 -15.472   5.460
  815   2HH1  ARG 126          2HH1      ARG 126  32.558 -15.090   4.078
  816   1HH2  ARG 126          1HH2      ARG 126  32.223 -11.660   4.459
  817   2HH2  ARG 126          2HH2      ARG 126  32.918 -12.932   3.511
  818    H    VAL 127           H        VAL 127  27.428 -10.346   8.420
  819    HA   VAL 127           HA       VAL 127  28.694 -10.747  10.923
  820    HB   VAL 127           HB       VAL 127  26.982  -8.401  10.041
  821   1HG1  VAL 127          1HG1      VAL 127  29.019  -8.743  12.260
  822   2HG1  VAL 127          2HG1      VAL 127  27.309  -8.356  12.445
  823   3HG1  VAL 127          3HG1      VAL 127  28.406  -7.179  11.724
  824   1HG2  VAL 127          1HG2      VAL 127  28.834  -8.812   8.502
  825   2HG2  VAL 127          2HG2      VAL 127  29.958  -8.958   9.851
  826   3HG2  VAL 127          3HG2      VAL 127  29.209  -7.403   9.492
  827    H    TYR 128           H        TYR 128  25.271 -10.550  10.027
  828    HA   TYR 128           HA       TYR 128  24.435 -10.729  12.872
  829   1HB   TYR 128          1HB       TYR 128  22.827 -10.672  10.304
  830   2HB   TYR 128          2HB       TYR 128  22.132 -10.700  11.922
  831    HD1  TYR 128           HD1      TYR 128  22.597  -8.796  13.511
  832    HD2  TYR 128           HD2      TYR 128  23.668  -8.660   9.356
  833    HE1  TYR 128           HE1      TYR 128  22.806  -6.329  13.646
  834    HE2  TYR 128           HE2      TYR 128  23.877  -6.194   9.488
  835    HH   TYR 128           HH       TYR 128  22.604  -4.348  11.506
  836    H    LEU 129           H        LEU 129  24.078 -12.698   9.912
  837    HA   LEU 129           HA       LEU 129  23.414 -15.071  11.614
  838   1HB   LEU 129          1HB       LEU 129  22.783 -14.480   8.714
  839   2HB   LEU 129          2HB       LEU 129  22.315 -15.933   9.587
  840    HG   LEU 129           HG       LEU 129  21.421 -13.102  10.193
  841   1HD1  LEU 129          1HD1      LEU 129  19.153 -14.231   9.653
  842   2HD1  LEU 129          2HD1      LEU 129  20.115 -15.519   8.923
  843   3HD1  LEU 129          3HD1      LEU 129  20.225 -13.873   8.299
  844   1HD2  LEU 129          1HD2      LEU 129  19.807 -14.484  11.752
  845   2HD2  LEU 129          2HD2      LEU 129  21.430 -14.094  12.314
  846   3HD2  LEU 129          3HD2      LEU 129  21.082 -15.702  11.677
  847    H    GLY 130           H        GLY 130  26.143 -14.397  11.202
  848   1HA   GLY 130          1HA       GLY 130  27.272 -15.684   8.915
  849   2HA   GLY 130          2HA       GLY 130  28.141 -15.332  10.407
  850    H    ALA 131           H        ALA 131  25.259 -17.428  10.051
  851    HA   ALA 131           HA       ALA 131  26.913 -19.845  10.353
  852   1HB   ALA 131          1HB       ALA 131  25.427 -20.501  12.390
  853   2HB   ALA 131          2HB       ALA 131  25.133 -18.768  12.538
  854   3HB   ALA 131          3HB       ALA 131  26.774 -19.397  12.662
  855    H    SER 132           H        SER 132  23.512 -18.729  10.714
  856    HA   SER 132           HA       SER 132  22.647 -21.084   9.093
  857   1HB   SER 132          1HB       SER 132  20.335 -20.265   9.823
  858   2HB   SER 132          2HB       SER 132  21.380 -20.873  11.107
  859    HG   SER 132           HG       SER 132  21.686 -18.887  11.841
  860    H    THR 133           H        THR 133  24.005 -18.839   7.830
  861    HA   THR 133           HA       THR 133  22.030 -17.121   6.607
  862    HB   THR 133           HB       THR 133  24.577 -17.489   5.126
  863    HG1  THR 133           HG1      THR 133  24.641 -16.591   7.804
  864   1HG2  THR 133          1HG2      THR 133  24.599 -15.145   5.111
  865   2HG2  THR 133          2HG2      THR 133  23.673 -15.030   6.609
  866   3HG2  THR 133          3HG2      THR 133  22.875 -15.518   5.114
  867    HA   PRO 134           HA       PRO 134  21.040 -20.364   3.536
  868   1HB   PRO 134          1HB       PRO 134  18.809 -19.254   2.482
  869   2HB   PRO 134          2HB       PRO 134  18.810 -19.985   4.096
  870   1HG   PRO 134          1HG       PRO 134  18.961 -17.103   3.317
  871   2HG   PRO 134          2HG       PRO 134  18.041 -17.864   4.626
  872   1HD   PRO 134          1HD       PRO 134  20.490 -16.586   4.970
  873   2HD   PRO 134          2HD       PRO 134  19.855 -17.821   6.073
  874    H    ASP 135           H        ASP 135  20.289 -20.036   1.034
  875    HA   ASP 135           HA       ASP 135  22.277 -18.155  -0.162
  876   1HB   ASP 135          1HB       ASP 135  22.376 -20.665  -0.619
  877   2HB   ASP 135          2HB       ASP 135  20.890 -20.464  -1.541
  878    H    LEU 136           H        LEU 136  21.523 -16.478  -1.249
  879    HA   LEU 136           HA       LEU 136  18.612 -16.153  -1.644
  880   1HB   LEU 136          1HB       LEU 136  20.915 -14.247  -2.136
  881   2HB   LEU 136          2HB       LEU 136  19.208 -13.830  -2.256
  882    HG   LEU 136           HG       LEU 136  20.593 -14.828   0.251
  883   1HD1  LEU 136          1HD1      LEU 136  21.172 -12.489  -0.582
  884   2HD1  LEU 136          2HD1      LEU 136  20.474 -12.564   1.037
  885   3HD1  LEU 136          3HD1      LEU 136  19.476 -12.075  -0.332
  886   1HD2  LEU 136          1HD2      LEU 136  18.367 -15.482   0.544
  887   2HD2  LEU 136          2HD2      LEU 136  17.739 -14.153  -0.437
  888   3HD2  LEU 136          3HD2      LEU 136  18.325 -13.846   1.196
  889    H    GLN 137           H        GLN 137  17.604 -16.136  -3.593
  890    HA   GLN 137           HA       GLN 137  19.258 -16.386  -6.081
  891   1HB   GLN 137          1HB       GLN 137  16.632 -17.827  -5.681
  892   2HB   GLN 137          2HB       GLN 137  17.888 -18.142  -6.876
  893   1HG   GLN 137          1HG       GLN 137  18.082 -18.610  -3.889
  894   2HG   GLN 137          2HG       GLN 137  17.985 -19.850  -5.139
  895   1HE2  GLN 137          1HE2      GLN 137  20.239 -18.627  -3.132
  896   2HE2  GLN 137          2HE2      GLN 137  21.605 -18.666  -4.129
  897   1H5*  ATP   1          1H5*      ATP   1  11.930   3.592  19.211
  898   2H5*  ATP   1          2H5*      ATP   1  10.226   3.402  18.900
  899    H4*  ATP   1           H4*      ATP   1  11.317   5.798  19.244
  900    H3*  ATP   1           H3*      ATP   1  10.628   4.994  22.123
  901   *HO3  ATP   1          *HO3      ATP   1  12.802   5.002  21.670
  902    H2*  ATP   1           H2*      ATP   1   9.788   7.118  22.484
  903   *HO2  ATP   1          *HO2      ATP   1  12.009   7.564  21.406
  904    H1*  ATP   1           H1*      ATP   1   9.444   7.632  19.571
  905    H8   ATP   1           H8       ATP   1   7.199   8.815  19.607
  906    H2   ATP   1           H2       ATP   1   6.970   4.146  24.016
  907   1HN6  ATP   1          1HN6      ATP   1   3.107   6.433  23.647
  908   2HN6  ATP   1          2HN6      ATP   1   3.217   7.298  22.136
  Start of MODEL   12
    1   1H    GLY  17          1H        GLY  17  14.857   8.181 -33.508
    2   2H    GLY  17          2H        GLY  17  13.881   9.275 -34.367
    3   3H    GLY  17          3H        GLY  17  15.312   9.811 -33.623
    4   1HA   GLY  17          1HA       GLY  17  16.649   8.509 -35.122
    5   2HA   GLY  17          2HA       GLY  17  15.184   7.861 -35.859
    6    H    ALA  18           H        ALA  18  16.744  10.997 -35.132
    7    HA   ALA  18           HA       ALA  18  16.488  11.900 -37.839
    8   1HB   ALA  18          1HB       ALA  18  14.351  12.675 -37.849
    9   2HB   ALA  18          2HB       ALA  18  14.811  13.852 -36.621
   10   3HB   ALA  18          3HB       ALA  18  14.165  12.282 -36.143
   11    HA   PRO  19           HA       PRO  19  17.840  15.606 -34.773
   12   1HB   PRO  19          1HB       PRO  19  18.646  13.644 -32.635
   13   2HB   PRO  19          2HB       PRO  19  18.167  15.346 -32.473
   14   1HG   PRO  19          1HG       PRO  19  16.451  13.395 -31.919
   15   2HG   PRO  19          2HG       PRO  19  15.914  14.864 -32.751
   16   1HD   PRO  19          1HD       PRO  19  16.318  12.111 -33.850
   17   2HD   PRO  19          2HD       PRO  19  15.189  13.375 -34.371
   18    H    GLU  20           H        GLU  20  19.417  15.574 -36.486
   19    HA   GLU  20           HA       GLU  20  22.089  14.848 -35.652
   20   1HB   GLU  20          1HB       GLU  20  21.314  12.604 -36.300
   21   2HB   GLU  20          2HB       GLU  20  20.823  13.219 -37.878
   22   1HG   GLU  20          1HG       GLU  20  23.079  13.677 -38.510
   23   2HG   GLU  20          2HG       GLU  20  23.659  13.470 -36.857
   24    H    GLY  21           H        GLY  21  22.988  16.739 -36.349
   25   1HA   GLY  21          1HA       GLY  21  23.456  17.275 -39.089
   26   2HA   GLY  21          2HA       GLY  21  22.071  18.250 -38.597
   27    HA   PRO  22           HA       PRO  22  24.300  21.373 -36.419
   28   1HB   PRO  22          1HB       PRO  22  23.862  19.975 -33.791
   29   2HB   PRO  22          2HB       PRO  22  23.620  21.683 -34.209
   30   1HG   PRO  22          1HG       PRO  22  21.552  20.021 -34.026
   31   2HG   PRO  22          2HG       PRO  22  21.611  21.260 -35.291
   32   1HD   PRO  22          1HD       PRO  22  22.025  18.300 -35.523
   33   2HD   PRO  22          2HD       PRO  22  21.355  19.438 -36.711
   34    H    GLY  23           H        GLY  23  25.095  18.111 -35.238
   35   1HA   GLY  23          1HA       GLY  23  27.832  18.232 -35.908
   36   2HA   GLY  23          2HA       GLY  23  27.702  18.766 -34.232
   37    HA   PRO  24           HA       PRO  24  27.662  14.056 -34.487
   38   1HB   PRO  24          1HB       PRO  24  30.095  13.546 -33.377
   39   2HB   PRO  24          2HB       PRO  24  29.896  13.881 -35.108
   40   1HG   PRO  24          1HG       PRO  24  30.769  15.719 -32.911
   41   2HG   PRO  24          2HG       PRO  24  31.440  15.520 -34.539
   42   1HD   PRO  24          1HD       PRO  24  29.706  17.553 -33.864
   43   2HD   PRO  24          2HD       PRO  24  29.814  16.882 -35.505
   44    H    SER  25           H        SER  25  25.988  14.451 -32.818
   45    HA   SER  25           HA       SER  25  26.534  15.149 -30.124
   46   1HB   SER  25          1HB       SER  25  24.410  13.827 -29.635
   47   2HB   SER  25          2HB       SER  25  24.249  15.096 -30.849
   48    HG   SER  25           HG       SER  25  24.588  12.318 -31.286
   49    H    GLY  26           H        GLY  26  27.015  13.875 -28.290
   50   1HA   GLY  26          1HA       GLY  26  28.554  11.454 -28.844
   51   2HA   GLY  26          2HA       GLY  26  28.315  12.189 -27.258
   52    H    GLY  27           H        GLY  27  28.038   9.713 -26.845
   53   1HA   GLY  27          1HA       GLY  27  25.505   9.093 -25.973
   54   2HA   GLY  27          2HA       GLY  27  25.475   8.568 -27.656
   55    H    ALA  28           H        ALA  28  28.005   8.422 -25.126
   56    HA   ALA  28           HA       ALA  28  28.757   5.735 -25.969
   57   1HB   ALA  28          1HB       ALA  28  30.441   7.299 -25.085
   58   2HB   ALA  28          2HB       ALA  28  30.351   5.855 -24.076
   59   3HB   ALA  28          3HB       ALA  28  29.591   7.354 -23.541
   60    H    GLN  29           H        GLN  29  27.040   7.147 -23.190
   61    HA   GLN  29           HA       GLN  29  25.702   4.557 -22.736
   62   1HB   GLN  29          1HB       GLN  29  27.456   5.876 -20.640
   63   2HB   GLN  29          2HB       GLN  29  26.309   4.581 -20.300
   64   1HG   GLN  29          1HG       GLN  29  27.531   3.234 -22.110
   65   2HG   GLN  29          2HG       GLN  29  28.788   4.468 -22.029
   66   1HE2  GLN  29          1HE2      GLN  29  27.703   4.542 -18.969
   67   2HE2  GLN  29          2HE2      GLN  29  28.663   3.336 -18.257
   68    H    GLY  30           H        GLY  30  26.061   7.049 -20.285
   69   1HA   GLY  30          1HA       GLY  30  24.525   8.622 -19.456
   70   2HA   GLY  30          2HA       GLY  30  23.784   8.629 -21.056
   71    H    GLY  31           H        GLY  31  22.016   7.235 -21.455
   72   1HA   GLY  31          1HA       GLY  31  20.039   6.133 -20.815
   73   2HA   GLY  31          2HA       GLY  31  21.126   5.079 -19.910
   74    H    SER  32           H        SER  32  20.644   4.993 -17.775
   75    HA   SER  32           HA       SER  32  18.788   6.776 -16.515
   76   1HB   SER  32          1HB       SER  32  19.048   4.572 -15.599
   77   2HB   SER  32          2HB       SER  32  20.785   4.796 -15.392
   78    HG   SER  32           HG       SER  32  20.407   6.256 -13.786
   79    H    ILE  33           H        ILE  33  19.201   8.868 -16.009
   80    HA   ILE  33           HA       ILE  33  21.912   9.902 -15.860
   81    HB   ILE  33           HB       ILE  33  20.642  12.003 -15.033
   82   1HG1  ILE  33          1HG1      ILE  33  18.250  10.428 -16.012
   83   2HG1  ILE  33          2HG1      ILE  33  18.655  10.540 -14.300
   84   1HG2  ILE  33          1HG2      ILE  33  21.377  11.671 -17.365
   85   2HG2  ILE  33          2HG2      ILE  33  19.804  12.466 -17.307
   86   3HG2  ILE  33          3HG2      ILE  33  19.910  10.749 -17.697
   87   1HD1  ILE  33          1HD1      ILE  33  17.043  12.286 -14.860
   88   2HD1  ILE  33          2HD1      ILE  33  18.077  12.858 -16.169
   89   3HD1  ILE  33          3HD1      ILE  33  18.600  13.030 -14.493
   90    H    HIS  34           H        HIS  34  20.149  11.380 -13.414
   91    HA   HIS  34           HA       HIS  34  21.942  10.303 -11.372
   92   1HB   HIS  34          1HB       HIS  34  19.554  12.106 -10.921
   93   2HB   HIS  34          2HB       HIS  34  20.999  11.952  -9.921
   94    HD1  HIS  34           HD1      HIS  34  20.269  14.724 -10.996
   95    HD2  HIS  34           HD2      HIS  34  22.774  12.084 -13.030
   96    HE1  HIS  34           HE1      HIS  34  21.679  16.134 -12.558
   97    H    SER  35           H        SER  35  19.272   9.027 -12.756
   98    HA   SER  35           HA       SER  35  17.836   8.162 -10.362
   99   1HB   SER  35          1HB       SER  35  16.797   8.450 -12.664
  100   2HB   SER  35          2HB       SER  35  17.654   6.986 -13.147
  101    HG   SER  35           HG       SER  35  16.597   5.919 -11.400
  102    H    GLY  36           H        GLY  36  17.952   6.105  -9.401
  103   1HA   GLY  36          1HA       GLY  36  19.093   3.760 -10.267
  104   2HA   GLY  36          2HA       GLY  36  20.492   4.701  -9.749
  105    H    ARG  37           H        ARG  37  21.078   4.187  -7.702
  106    HA   ARG  37           HA       ARG  37  19.328   2.802  -5.876
  107   1HB   ARG  37          1HB       ARG  37  21.774   2.541  -5.780
  108   2HB   ARG  37          2HB       ARG  37  21.947   4.244  -5.357
  109   1HG   ARG  37          1HG       ARG  37  20.777   3.915  -3.269
  110   2HG   ARG  37          2HG       ARG  37  20.336   2.267  -3.719
  111   1HD   ARG  37          1HD       ARG  37  22.593   1.514  -3.557
  112   2HD   ARG  37          2HD       ARG  37  23.217   3.163  -3.507
  113    HE   ARG  37           HE       ARG  37  21.423   2.528  -1.287
  114   1HH1  ARG  37          1HH1      ARG  37  24.627   2.464  -2.560
  115   2HH1  ARG  37          2HH1      ARG  37  25.387   2.438  -1.005
  116   1HH2  ARG  37          1HH2      ARG  37  22.398   2.495   0.752
  117   2HH2  ARG  37          2HH2      ARG  37  24.126   2.455   0.871
  118    H    ILE  38           H        ILE  38  18.178   3.607  -4.106
  119    HA   ILE  38           HA       ILE  38  18.306   6.528  -3.535
  120    HB   ILE  38           HB       ILE  38  15.718   5.059  -4.170
  121   1HG1  ILE  38          1HG1      ILE  38  17.366   7.072  -5.719
  122   2HG1  ILE  38          2HG1      ILE  38  16.954   5.430  -6.210
  123   1HG2  ILE  38          1HG2      ILE  38  16.150   8.031  -3.741
  124   2HG2  ILE  38          2HG2      ILE  38  15.649   6.953  -2.439
  125   3HG2  ILE  38          3HG2      ILE  38  14.618   7.167  -3.849
  126   1HD1  ILE  38          1HD1      ILE  38  15.129   7.827  -6.002
  127   2HD1  ILE  38          2HD1      ILE  38  14.495   6.182  -6.043
  128   3HD1  ILE  38          3HD1      ILE  38  15.430   6.800  -7.404
  129    H    ALA  39           H        ALA  39  19.060   6.168  -1.473
  130    HA   ALA  39           HA       ALA  39  17.716   4.199   0.280
  131   1HB   ALA  39          1HB       ALA  39  20.081   4.270   0.547
  132   2HB   ALA  39          2HB       ALA  39  19.430   5.107   1.957
  133   3HB   ALA  39          3HB       ALA  39  20.096   6.032   0.611
  134    H    ALA  40           H        ALA  40  15.628   5.213   0.439
  135    HA   ALA  40           HA       ALA  40  15.576   7.514   2.341
  136   1HB   ALA  40          1HB       ALA  40  14.097   8.780   1.038
  137   2HB   ALA  40          2HB       ALA  40  13.593   7.393   0.075
  138   3HB   ALA  40          3HB       ALA  40  15.177   8.116  -0.185
  139    H    VAL  41           H        VAL  41  12.984   7.778   2.832
  140    HA   VAL  41           HA       VAL  41  12.287   5.307   4.201
  141    HB   VAL  41           HB       VAL  41  10.727   7.881   3.845
  142   1HG1  VAL  41          1HG1      VAL  41   9.209   6.080   4.426
  143   2HG1  VAL  41          2HG1      VAL  41   9.479   7.068   5.860
  144   3HG1  VAL  41          3HG1      VAL  41  10.302   5.519   5.692
  145   1HG2  VAL  41          1HG2      VAL  41  11.469   8.190   6.269
  146   2HG2  VAL  41          2HG2      VAL  41  12.739   8.355   5.060
  147   3HG2  VAL  41          3HG2      VAL  41  12.599   6.865   5.993
  148    H    HIS  42           H        HIS  42  10.623   3.882   3.679
  149    HA   HIS  42           HA       HIS  42   8.909   4.400   1.322
  150   1HB   HIS  42          1HB       HIS  42  11.090   2.330   1.458
  151   2HB   HIS  42          2HB       HIS  42   9.647   2.004   0.503
  152    HD1  HIS  42           HD1      HIS  42   9.587   2.954  -1.799
  153    HD2  HIS  42           HD2      HIS  42  12.462   4.825   0.564
  154    HE1  HIS  42           HE1      HIS  42  10.880   4.497  -3.330
  155    H    ASN  43           H        ASN  43   6.979   3.232   1.445
  156    HA   ASN  43           HA       ASN  43   6.438   1.844   3.976
  157   1HB   ASN  43          1HB       ASN  43   4.752   2.437   1.527
  158   2HB   ASN  43          2HB       ASN  43   4.145   1.555   2.928
  159   1HD2  ASN  43          1HD2      ASN  43   2.867   3.942   2.384
  160   2HD2  ASN  43          2HD2      ASN  43   3.333   5.133   3.496
  161    H    VAL  44           H        VAL  44   7.620  -0.095   3.920
  162    HA   VAL  44           HA       VAL  44   7.407  -1.829   1.543
  163    HB   VAL  44           HB       VAL  44   9.551  -1.452   2.903
  164   1HG1  VAL  44          1HG1      VAL  44   9.892  -2.744   4.875
  165   2HG1  VAL  44          2HG1      VAL  44   8.351  -3.579   4.677
  166   3HG1  VAL  44          3HG1      VAL  44   8.378  -1.874   5.121
  167   1HG2  VAL  44          1HG2      VAL  44   9.311  -3.216   1.192
  168   2HG2  VAL  44          2HG2      VAL  44   8.624  -4.294   2.409
  169   3HG2  VAL  44          3HG2      VAL  44  10.299  -3.765   2.545
  170    HA   PRO  45           HA       PRO  45   3.682  -3.824   3.192
  171   1HB   PRO  45          1HB       PRO  45   4.817  -6.191   1.739
  172   2HB   PRO  45          2HB       PRO  45   3.160  -5.557   1.732
  173   1HG   PRO  45          1HG       PRO  45   4.806  -5.111  -0.306
  174   2HG   PRO  45          2HG       PRO  45   3.691  -3.857   0.258
  175   1HD   PRO  45          1HD       PRO  45   6.655  -4.056   0.632
  176   2HD   PRO  45          2HD       PRO  45   5.631  -2.616   0.466
  177    H    LEU  46           H        LEU  46   3.220  -5.017   5.001
  178    HA   LEU  46           HA       LEU  46   5.345  -5.922   6.704
  179   1HB   LEU  46          1HB       LEU  46   2.391  -6.553   6.763
  180   2HB   LEU  46          2HB       LEU  46   3.511  -6.894   8.069
  181    HG   LEU  46           HG       LEU  46   3.423  -4.071   7.073
  182   1HD1  LEU  46          1HD1      LEU  46   1.249  -5.338   8.744
  183   2HD1  LEU  46          2HD1      LEU  46   1.067  -4.591   7.158
  184   3HD1  LEU  46          3HD1      LEU  46   1.477  -3.599   8.559
  185   1HD2  LEU  46          1HD2      LEU  46   3.628  -5.361   9.809
  186   2HD2  LEU  46          2HD2      LEU  46   3.617  -3.626   9.531
  187   3HD2  LEU  46          3HD2      LEU  46   4.938  -4.603   8.902
  188    H    SER  47           H        SER  47   3.212  -7.484   4.434
  189    HA   SER  47           HA       SER  47   3.612 -10.186   5.172
  190   1HB   SER  47          1HB       SER  47   3.002 -10.636   2.742
  191   2HB   SER  47          2HB       SER  47   1.854  -9.665   3.659
  192    HG   SER  47           HG       SER  47   2.229  -8.641   1.725
  193    H    VAL  48           H        VAL  48   5.746  -8.071   3.303
  194    HA   VAL  48           HA       VAL  48   7.427 -10.435   2.586
  195    HB   VAL  48           HB       VAL  48   8.484  -9.060   0.956
  196   1HG1  VAL  48          1HG1      VAL  48   6.663  -8.594  -0.483
  197   2HG1  VAL  48          2HG1      VAL  48   5.595  -8.207   0.863
  198   3HG1  VAL  48          3HG1      VAL  48   6.083  -9.876   0.579
  199   1HG2  VAL  48          1HG2      VAL  48   8.787  -6.988   2.162
  200   2HG2  VAL  48          2HG2      VAL  48   7.046  -6.746   2.274
  201   3HG2  VAL  48          3HG2      VAL  48   7.849  -6.636   0.713
  202    H    LEU  49           H        LEU  49   7.345  -9.141   5.351
  203    HA   LEU  49           HA       LEU  49  10.098  -8.049   5.542
  204   1HB   LEU  49          1HB       LEU  49   7.922  -8.491   7.617
  205   2HB   LEU  49          2HB       LEU  49   9.519  -7.859   7.993
  206    HG   LEU  49           HG       LEU  49   7.512  -6.578   6.115
  207   1HD1  LEU  49          1HD1      LEU  49   6.947  -6.478   8.544
  208   2HD1  LEU  49          2HD1      LEU  49   7.312  -4.885   7.877
  209   3HD1  LEU  49          3HD1      LEU  49   8.513  -5.729   8.851
  210   1HD2  LEU  49          1HD2      LEU  49   9.524  -5.803   5.249
  211   2HD2  LEU  49          2HD2      LEU  49  10.379  -5.985   6.778
  212   3HD2  LEU  49          3HD2      LEU  49   9.288  -4.625   6.537
  213    H    ILE  50           H        ILE  50  11.784  -9.347   6.040
  214    HA   ILE  50           HA       ILE  50  11.240 -12.173   6.776
  215    HB   ILE  50           HB       ILE  50  13.872 -10.879   6.078
  216   1HG1  ILE  50          1HG1      ILE  50  11.736 -12.104   4.322
  217   2HG1  ILE  50          2HG1      ILE  50  12.339 -10.456   4.255
  218   1HG2  ILE  50          1HG2      ILE  50  12.966 -13.744   5.756
  219   2HG2  ILE  50          2HG2      ILE  50  13.800 -13.161   7.197
  220   3HG2  ILE  50          3HG2      ILE  50  14.606 -13.108   5.631
  221   1HD1  ILE  50          1HD1      ILE  50  14.632 -11.445   3.762
  222   2HD1  ILE  50          2HD1      ILE  50  13.430 -11.623   2.486
  223   3HD1  ILE  50          3HD1      ILE  50  13.815 -12.991   3.530
  224    H    ARG  51           H        ARG  51  11.308 -12.700   8.859
  225    HA   ARG  51           HA       ARG  51  13.288 -11.383  10.675
  226   1HB   ARG  51          1HB       ARG  51  10.338 -11.873  11.109
  227   2HB   ARG  51          2HB       ARG  51  11.452 -11.663  12.460
  228   1HG   ARG  51          1HG       ARG  51  12.164  -9.502  11.508
  229   2HG   ARG  51          2HG       ARG  51  10.997  -9.690  10.204
  230   1HD   ARG  51          1HD       ARG  51   9.152  -9.658  11.775
  231   2HD   ARG  51          2HD       ARG  51  10.261  -9.691  13.146
  232    HE   ARG  51           HE       ARG  51   9.572  -7.340  11.553
  233   1HH1  ARG  51          1HH1      ARG  51  11.871  -8.914  13.583
  234   2HH1  ARG  51          2HH1      ARG  51  12.609  -7.440  14.116
  235   1HH2  ARG  51          1HH2      ARG  51  10.522  -5.406  12.237
  236   2HH2  ARG  51          2HH2      ARG  51  11.845  -5.454  13.354
  237    HA   PRO  52           HA       PRO  52  13.550 -15.920  11.360
  238   1HB   PRO  52          1HB       PRO  52  16.124 -16.299  10.836
  239   2HB   PRO  52          2HB       PRO  52  15.014 -15.901   9.508
  240   1HG   PRO  52          1HG       PRO  52  16.971 -14.147  10.938
  241   2HG   PRO  52          2HG       PRO  52  16.555 -14.194   9.219
  242   1HD   PRO  52          1HD       PRO  52  15.473 -12.409  11.172
  243   2HD   PRO  52          2HD       PRO  52  14.868 -12.645   9.519
  244    H    LEU  53           H        LEU  53  13.860 -13.587  13.346
  245    HA   LEU  53           HA       LEU  53  15.495 -15.067  15.350
  246   1HB   LEU  53          1HB       LEU  53  16.730 -13.146  14.095
  247   2HB   LEU  53          2HB       LEU  53  15.717 -12.074  15.052
  248    HG   LEU  53           HG       LEU  53  16.583 -13.161  17.126
  249   1HD1  LEU  53          1HD1      LEU  53  18.001 -14.851  15.090
  250   2HD1  LEU  53          2HD1      LEU  53  17.366 -15.298  16.673
  251   3HD1  LEU  53          3HD1      LEU  53  18.891 -14.430  16.554
  252   1HD2  LEU  53          1HD2      LEU  53  18.807 -12.174  15.314
  253   2HD2  LEU  53          2HD2      LEU  53  18.711 -12.017  17.070
  254   3HD2  LEU  53          3HD2      LEU  53  17.602 -11.106  16.042
  255    HA   PRO  54           HA       PRO  54  11.255 -14.001  16.982
  256   1HB   PRO  54          1HB       PRO  54  12.381 -15.931  18.996
  257   2HB   PRO  54          2HB       PRO  54  10.736 -15.825  18.338
  258   1HG   PRO  54          1HG       PRO  54  12.419 -17.678  17.462
  259   2HG   PRO  54          2HG       PRO  54  11.343 -16.834  16.334
  260   1HD   PRO  54          1HD       PRO  54  14.293 -16.474  16.766
  261   2HD   PRO  54          2HD       PRO  54  13.352 -16.330  15.266
  262    H    SER  55           H        SER  55  10.653 -13.167  19.233
  263    HA   SER  55           HA       SER  55  12.873 -12.196  20.898
  264   1HB   SER  55          1HB       SER  55  11.248 -10.393  19.118
  265   2HB   SER  55          2HB       SER  55  11.894  -9.780  20.637
  266    HG   SER  55           HG       SER  55  13.758 -11.188  19.294
  267    H    VAL  56           H        VAL  56  12.003 -10.969  22.797
  268    HA   VAL  56           HA       VAL  56   9.380 -12.111  23.625
  269    HB   VAL  56           HB       VAL  56  11.580 -12.301  25.025
  270   1HG1  VAL  56          1HG1      VAL  56  12.158 -10.485  26.443
  271   2HG1  VAL  56          2HG1      VAL  56  10.700  -9.588  26.027
  272   3HG1  VAL  56          3HG1      VAL  56  11.994  -9.764  24.844
  273   1HG2  VAL  56          1HG2      VAL  56  10.240 -12.029  27.153
  274   2HG2  VAL  56          2HG2      VAL  56   9.469 -13.028  25.921
  275   3HG2  VAL  56          3HG2      VAL  56   8.937 -11.364  26.167
  276    H    LEU  57           H        LEU  57   7.647 -10.808  23.384
  277    HA   LEU  57           HA       LEU  57   8.049  -7.862  23.237
  278   1HB   LEU  57          1HB       LEU  57   5.627  -9.521  22.550
  279   2HB   LEU  57          2HB       LEU  57   5.810  -7.798  22.265
  280    HG   LEU  57           HG       LEU  57   7.598  -9.941  21.065
  281   1HD1  LEU  57          1HD1      LEU  57   5.434 -10.147  20.053
  282   2HD1  LEU  57          2HD1      LEU  57   6.402  -9.189  18.932
  283   3HD1  LEU  57          3HD1      LEU  57   5.226  -8.396  19.982
  284   1HD2  LEU  57          1HD2      LEU  57   8.072  -7.832  19.536
  285   2HD2  LEU  57          2HD2      LEU  57   8.913  -8.018  21.070
  286   3HD2  LEU  57          3HD2      LEU  57   7.528  -6.933  20.952
  287    H    ASP  58           H        ASP  58   6.939  -6.467  24.500
  288    HA   ASP  58           HA       ASP  58   5.766  -7.545  27.005
  289   1HB   ASP  58          1HB       ASP  58   7.512  -6.017  27.454
  290   2HB   ASP  58          2HB       ASP  58   7.023  -4.934  26.179
  291    HA   PRO  59           HA       PRO  59   1.846  -6.274  25.151
  292   1HB   PRO  59          1HB       PRO  59   0.172  -6.707  27.247
  293   2HB   PRO  59          2HB       PRO  59   0.926  -8.039  26.349
  294   1HG   PRO  59          1HG       PRO  59   1.735  -6.825  28.965
  295   2HG   PRO  59          2HG       PRO  59   1.622  -8.529  28.511
  296   1HD   PRO  59          1HD       PRO  59   4.000  -7.146  28.530
  297   2HD   PRO  59          2HD       PRO  59   3.689  -8.515  27.441
  298    H    ALA  60           H        ALA  60   3.220  -4.681  27.914
  299    HA   ALA  60           HA       ALA  60   1.137  -2.599  28.008
  300   1HB   ALA  60          1HB       ALA  60   3.809  -2.510  29.410
  301   2HB   ALA  60          2HB       ALA  60   2.489  -3.514  30.009
  302   3HB   ALA  60          3HB       ALA  60   2.286  -1.765  29.898
  303    H    LYS  61           H        LYS  61   4.548  -2.872  27.013
  304    HA   LYS  61           HA       LYS  61   4.762  -0.119  26.221
  305   1HB   LYS  61          1HB       LYS  61   6.544  -2.226  26.580
  306   2HB   LYS  61          2HB       LYS  61   6.565  -2.015  24.837
  307   1HG   LYS  61          1HG       LYS  61   7.025   0.409  25.163
  308   2HG   LYS  61          2HG       LYS  61   7.057   0.137  26.905
  309   1HD   LYS  61          1HD       LYS  61   8.890  -1.556  26.524
  310   2HD   LYS  61          2HD       LYS  61   8.931  -1.046  24.836
  311   1HE   LYS  61          1HE       LYS  61   9.638   0.546  27.299
  312   2HE   LYS  61          2HE       LYS  61  10.608   0.270  25.852
  313   1HZ   LYS  61          1HZ       LYS  61   8.413   2.148  26.291
  314   2HZ   LYS  61          2HZ       LYS  61   8.561   1.465  24.742
  315   3HZ   LYS  61          3HZ       LYS  61   9.849   2.347  25.412
  316    H    VAL  62           H        VAL  62   3.699  -3.048  24.560
  317    HA   VAL  62           HA       VAL  62   3.797  -1.941  21.897
  318    HB   VAL  62           HB       VAL  62   2.163  -4.193  23.110
  319   1HG1  VAL  62          1HG1      VAL  62   0.859  -3.451  21.256
  320   2HG1  VAL  62          2HG1      VAL  62   1.808  -4.805  20.642
  321   3HG1  VAL  62          3HG1      VAL  62   2.292  -3.149  20.273
  322   1HG2  VAL  62          1HG2      VAL  62   3.742  -5.630  21.986
  323   2HG2  VAL  62          2HG2      VAL  62   4.675  -4.426  22.875
  324   3HG2  VAL  62          3HG2      VAL  62   4.460  -4.263  21.133
  325    H    GLN  63           H        GLN  63   1.115  -2.301  24.245
  326    HA   GLN  63           HA       GLN  63  -0.909  -1.077  22.751
  327   1HB   GLN  63          1HB       GLN  63  -0.347  -0.930  25.724
  328   2HB   GLN  63          2HB       GLN  63  -1.833  -0.332  24.993
  329   1HG   GLN  63          1HG       GLN  63  -0.916  -3.153  24.430
  330   2HG   GLN  63          2HG       GLN  63  -1.750  -2.790  25.938
  331   1HE2  GLN  63          1HE2      GLN  63  -3.866  -1.334  25.491
  332   2HE2  GLN  63          2HE2      GLN  63  -4.842  -1.884  24.215
  333    H    SER  64           H        SER  64   1.510   0.495  24.853
  334    HA   SER  64           HA       SER  64   0.668   3.165  24.549
  335   1HB   SER  64          1HB       SER  64   2.431   2.771  26.088
  336   2HB   SER  64          2HB       SER  64   3.409   1.938  24.880
  337    HG   SER  64           HG       SER  64   4.274   3.900  24.878
  338    H    LEU  65           H        LEU  65   2.708   1.188  22.402
  339    HA   LEU  65           HA       LEU  65   3.236   3.318  20.532
  340   1HB   LEU  65          1HB       LEU  65   3.545   0.341  20.618
  341   2HB   LEU  65          2HB       LEU  65   3.577   1.095  19.032
  342    HG   LEU  65           HG       LEU  65   5.268   2.249  21.250
  343   1HD1  LEU  65          1HD1      LEU  65   5.950  -0.023  21.366
  344   2HD1  LEU  65          2HD1      LEU  65   7.135   0.757  20.319
  345   3HD1  LEU  65          3HD1      LEU  65   5.848  -0.225  19.618
  346   1HD2  LEU  65          1HD2      LEU  65   5.553   2.060  18.233
  347   2HD2  LEU  65          2HD2      LEU  65   6.724   2.823  19.308
  348   3HD2  LEU  65          3HD2      LEU  65   5.103   3.497  19.151
  349    H    VAL  66           H        VAL  66   0.870   0.652  20.617
  350    HA   VAL  66           HA       VAL  66  -0.455   1.183  18.180
  351    HB   VAL  66           HB       VAL  66  -1.390   0.097  20.840
  352   1HG1  VAL  66          1HG1      VAL  66  -3.400  -0.736  19.517
  353   2HG1  VAL  66          2HG1      VAL  66  -2.966   0.459  18.295
  354   3HG1  VAL  66          3HG1      VAL  66  -3.397   0.979  19.923
  355   1HG2  VAL  66          1HG2      VAL  66  -0.916  -1.193  18.140
  356   2HG2  VAL  66          2HG2      VAL  66  -1.392  -2.035  19.614
  357   3HG2  VAL  66          3HG2      VAL  66   0.191  -1.264  19.513
  358    H    ASP  67           H        ASP  67  -0.589   2.795  21.294
  359    HA   ASP  67           HA       ASP  67  -2.938   4.395  20.687
  360   1HB   ASP  67          1HB       ASP  67  -0.812   4.419  22.827
  361   2HB   ASP  67          2HB       ASP  67  -1.963   5.742  22.700
  362    H    THR  68           H        THR  68   0.578   4.843  20.403
  363    HA   THR  68           HA       THR  68   0.452   7.649  19.792
  364    HB   THR  68           HB       THR  68   2.583   5.761  18.775
  365    HG1  THR  68           HG1      THR  68   1.775   5.923  21.243
  366   1HG2  THR  68          1HG2      THR  68   4.022   7.718  19.190
  367   2HG2  THR  68          2HG2      THR  68   2.628   8.615  19.793
  368   3HG2  THR  68          3HG2      THR  68   2.698   8.128  18.100
  369    H    ILE  69           H        ILE  69   0.629   4.739  17.746
  370    HA   ILE  69           HA       ILE  69   0.584   6.112  15.243
  371    HB   ILE  69           HB       ILE  69  -0.516   3.353  15.868
  372   1HG1  ILE  69          1HG1      ILE  69   2.294   4.342  15.304
  373   2HG1  ILE  69          2HG1      ILE  69   1.738   3.452  16.714
  374   1HG2  ILE  69          1HG2      ILE  69   0.713   4.413  13.305
  375   2HG2  ILE  69          2HG2      ILE  69  -1.025   4.406  13.597
  376   3HG2  ILE  69          3HG2      ILE  69  -0.138   2.886  13.533
  377   1HD1  ILE  69          1HD1      ILE  69   1.163   1.539  15.152
  378   2HD1  ILE  69          2HD1      ILE  69   2.883   1.872  15.327
  379   3HD1  ILE  69          3HD1      ILE  69   2.023   2.415  13.887
  380    H    ARG  70           H        ARG  70  -2.017   4.913  17.342
  381    HA   ARG  70           HA       ARG  70  -4.121   5.675  15.478
  382   1HB   ARG  70          1HB       ARG  70  -3.962   4.519  18.226
  383   2HB   ARG  70          2HB       ARG  70  -5.432   5.403  17.857
  384   1HG   ARG  70          1HG       ARG  70  -5.789   3.998  15.867
  385   2HG   ARG  70          2HG       ARG  70  -4.292   3.131  16.202
  386   1HD   ARG  70          1HD       ARG  70  -6.508   2.056  16.999
  387   2HD   ARG  70          2HD       ARG  70  -5.176   2.117  18.146
  388    HE   ARG  70           HE       ARG  70  -7.644   3.763  18.243
  389   1HH1  ARG  70          1HH1      ARG  70  -4.496   3.019  19.482
  390   2HH1  ARG  70          2HH1      ARG  70  -4.788   3.769  21.013
  391   1HH2  ARG  70          1HH2      ARG  70  -8.018   4.743  20.234
  392   2HH2  ARG  70          2HH2      ARG  70  -6.773   4.744  21.438
  393    H    GLU  71           H        GLU  71  -2.578   7.205  18.289
  394    HA   GLU  71           HA       GLU  71  -4.498   9.437  18.246
  395   1HB   GLU  71          1HB       GLU  71  -3.475   8.538  20.366
  396   2HB   GLU  71          2HB       GLU  71  -1.926   9.183  19.825
  397   1HG   GLU  71          1HG       GLU  71  -2.862  11.442  19.747
  398   2HG   GLU  71          2HG       GLU  71  -4.452  10.822  20.193
  399    H    ASP  72           H        ASP  72  -1.156   8.815  17.260
  400    HA   ASP  72           HA       ASP  72  -1.242  11.221  15.560
  401   1HB   ASP  72          1HB       ASP  72  -0.431  11.886  17.903
  402   2HB   ASP  72          2HB       ASP  72   1.012  10.942  17.547
  403    HA   PRO  73           HA       PRO  73   1.228   7.781  13.740
  404   1HB   PRO  73          1HB       PRO  73   0.540   8.157  11.133
  405   2HB   PRO  73          2HB       PRO  73  -0.507   7.308  12.286
  406   1HG   PRO  73          1HG       PRO  73  -0.666  10.124  11.297
  407   2HG   PRO  73          2HG       PRO  73  -1.967   8.958  11.580
  408   1HD   PRO  73          1HD       PRO  73  -1.309  10.974  13.343
  409   2HD   PRO  73          2HD       PRO  73  -2.087   9.458  13.842
  410    H    ASP  74           H        ASP  74   1.530  11.138  13.547
  411    HA   ASP  74           HA       ASP  74   3.745  11.111  11.583
  412   1HB   ASP  74          1HB       ASP  74   2.359  13.306  13.135
  413   2HB   ASP  74          2HB       ASP  74   3.816  13.601  12.187
  414    H    SER  75           H        SER  75   3.319  11.292  15.101
  415    HA   SER  75           HA       SER  75   6.114  12.048  15.557
  416   1HB   SER  75          1HB       SER  75   4.176  10.908  17.584
  417   2HB   SER  75          2HB       SER  75   5.573  11.943  17.879
  418    HG   SER  75           HG       SER  75   3.489  12.814  16.212
  419    H    VAL  76           H        VAL  76   5.297   9.465  14.085
  420    HA   VAL  76           HA       VAL  76   6.775   7.524  15.826
  421    HB   VAL  76           HB       VAL  76   4.939   6.712  13.573
  422   1HG1  VAL  76          1HG1      VAL  76   4.814   4.649  14.730
  423   2HG1  VAL  76          2HG1      VAL  76   5.405   5.351  16.235
  424   3HG1  VAL  76          3HG1      VAL  76   6.508   5.116  14.875
  425   1HG2  VAL  76          1HG2      VAL  76   3.505   8.139  14.828
  426   2HG2  VAL  76          2HG2      VAL  76   4.176   7.588  16.363
  427   3HG2  VAL  76          3HG2      VAL  76   3.162   6.510  15.406
  428    HA   PRO  77           HA       PRO  77   9.452   8.215  12.176
  429   1HB   PRO  77          1HB       PRO  77  11.826   7.400  13.310
  430   2HB   PRO  77          2HB       PRO  77  11.138   9.019  13.510
  431   1HG   PRO  77          1HG       PRO  77  11.164   6.708  15.385
  432   2HG   PRO  77          2HG       PRO  77  11.231   8.442  15.733
  433   1HD   PRO  77          1HD       PRO  77   8.947   6.827  15.964
  434   2HD   PRO  77          2HD       PRO  77   8.932   8.600  15.865
  435    HA   PRO  78           HA       PRO  78   9.742   4.105  10.515
  436   1HB   PRO  78          1HB       PRO  78  11.743   4.356   8.686
  437   2HB   PRO  78          2HB       PRO  78  10.174   5.153   8.491
  438   1HG   PRO  78          1HG       PRO  78  12.763   6.280   9.481
  439   2HG   PRO  78          2HG       PRO  78  11.592   6.985   8.356
  440   1HD   PRO  78          1HD       PRO  78  11.716   7.669  11.013
  441   2HD   PRO  78          2HD       PRO  78  10.220   7.747  10.070
  442    H    ILE  79           H        ILE  79  11.348   2.280  10.069
  443    HA   ILE  79           HA       ILE  79  13.461   2.227  12.206
  444    HB   ILE  79           HB       ILE  79  13.159  -0.320  11.922
  445   1HG1  ILE  79          1HG1      ILE  79  10.424   0.420  10.868
  446   2HG1  ILE  79          2HG1      ILE  79  11.758   0.172   9.740
  447   1HG2  ILE  79          1HG2      ILE  79  12.362   0.554  13.947
  448   2HG2  ILE  79          2HG2      ILE  79  10.908  -0.174  13.265
  449   3HG2  ILE  79          3HG2      ILE  79  11.157   1.567  13.153
  450   1HD1  ILE  79          1HD1      ILE  79  12.150  -2.068  10.728
  451   2HD1  ILE  79          2HD1      ILE  79  10.524  -1.919  10.060
  452   3HD1  ILE  79          3HD1      ILE  79  10.774  -1.820  11.803
  453    H    ASP  80           H        ASP  80  15.350   0.790  11.634
  454    HA   ASP  80           HA       ASP  80  16.249   1.412   8.899
  455   1HB   ASP  80          1HB       ASP  80  17.535   0.353  11.417
  456   2HB   ASP  80          2HB       ASP  80  18.369   0.223   9.875
  457    H    VAL  81           H        VAL  81  16.384  -0.108   7.285
  458    HA   VAL  81           HA       VAL  81  16.086  -2.998   7.986
  459    HB   VAL  81           HB       VAL  81  14.358  -1.355   6.125
  460   1HG1  VAL  81          1HG1      VAL  81  15.000  -3.200   4.731
  461   2HG1  VAL  81          2HG1      VAL  81  13.410  -3.593   5.384
  462   3HG1  VAL  81          3HG1      VAL  81  14.851  -4.341   6.068
  463   1HG2  VAL  81          1HG2      VAL  81  12.568  -2.623   7.334
  464   2HG2  VAL  81          2HG2      VAL  81  13.557  -1.633   8.407
  465   3HG2  VAL  81          3HG2      VAL  81  13.821  -3.375   8.322
  466    H    LEU  82           H        LEU  82  17.324  -4.328   6.739
  467    HA   LEU  82           HA       LEU  82  19.236  -3.047   4.898
  468   1HB   LEU  82          1HB       LEU  82  18.993  -5.945   5.754
  469   2HB   LEU  82          2HB       LEU  82  20.366  -5.223   4.918
  470    HG   LEU  82           HG       LEU  82  19.465  -4.018   7.536
  471   1HD1  LEU  82          1HD1      LEU  82  21.275  -6.437   7.298
  472   2HD1  LEU  82          2HD1      LEU  82  19.633  -6.462   7.941
  473   3HD1  LEU  82          3HD1      LEU  82  20.894  -5.559   8.779
  474   1HD2  LEU  82          1HD2      LEU  82  21.753  -3.338   7.695
  475   2HD2  LEU  82          2HD2      LEU  82  21.273  -3.034   6.027
  476   3HD2  LEU  82          3HD2      LEU  82  22.244  -4.452   6.420
  477    H    TRP  83           H        TRP  83  19.261  -3.310   2.711
  478    HA   TRP  83           HA       TRP  83  17.070  -4.935   1.459
  479   1HB   TRP  83          1HB       TRP  83  16.850  -2.515   1.137
  480   2HB   TRP  83          2HB       TRP  83  18.497  -2.421   0.565
  481    HD1  TRP  83           HD1      TRP  83  16.553  -5.376  -0.784
  482    HE1  TRP  83           HE1      TRP  83  15.953  -4.917  -3.255
  483    HE3  TRP  83           HE3      TRP  83  17.879  -0.461  -1.098
  484    HZ2  TRP  83           HZ2      TRP  83  16.027  -2.730  -5.113
  485    HZ3  TRP  83           HZ3      TRP  83  17.606   0.788  -3.223
  486    HH2  TRP  83           HH2      TRP  83  16.687  -0.342  -5.229
  487    H    ILE  84           H        ILE  84  18.051  -6.832   0.797
  488    HA   ILE  84           HA       ILE  84  20.665  -6.619  -0.679
  489    HB   ILE  84           HB       ILE  84  19.767  -8.939   1.058
  490   1HG1  ILE  84          1HG1      ILE  84  21.706  -6.679   1.636
  491   2HG1  ILE  84          2HG1      ILE  84  20.172  -6.964   2.457
  492   1HG2  ILE  84          1HG2      ILE  84  21.411  -9.332  -0.860
  493   2HG2  ILE  84          2HG2      ILE  84  21.998  -9.767   0.742
  494   3HG2  ILE  84          3HG2      ILE  84  22.519  -8.258  -0.006
  495   1HD1  ILE  84          1HD1      ILE  84  22.656  -8.686   2.522
  496   2HD1  ILE  84          2HD1      ILE  84  21.085  -9.263   3.078
  497   3HD1  ILE  84          3HD1      ILE  84  21.854  -7.891   3.876
  498    H    LYS  85           H        LYS  85  20.870  -7.896  -2.513
  499    HA   LYS  85           HA       LYS  85  18.341  -9.144  -3.528
  500   1HB   LYS  85          1HB       LYS  85  20.613  -7.657  -4.810
  501   2HB   LYS  85          2HB       LYS  85  19.772  -8.872  -5.770
  502   1HG   LYS  85          1HG       LYS  85  17.640  -7.762  -5.347
  503   2HG   LYS  85          2HG       LYS  85  18.452  -6.583  -4.319
  504   1HD   LYS  85          1HD       LYS  85  19.530  -5.540  -6.115
  505   2HD   LYS  85          2HD       LYS  85  19.377  -6.954  -7.152
  506   1HE   LYS  85          1HE       LYS  85  17.825  -5.105  -7.797
  507   2HE   LYS  85          2HE       LYS  85  16.985  -6.596  -7.382
  508   1HZ   LYS  85          1HZ       LYS  85  15.924  -4.749  -6.310
  509   2HZ   LYS  85          2HZ       LYS  85  17.393  -4.247  -5.618
  510   3HZ   LYS  85          3HZ       LYS  85  16.677  -5.708  -5.131
  511    H    GLY  86           H        GLY  86  18.550 -11.096  -4.771
  512   1HA   GLY  86          1HA       GLY  86  20.733 -12.847  -3.752
  513   2HA   GLY  86          2HA       GLY  86  19.198 -13.401  -4.415
  514    H    ALA  87           H        ALA  87  20.677 -14.811  -5.689
  515    HA   ALA  87           HA       ALA  87  22.412 -13.687  -7.697
  516   1HB   ALA  87          1HB       ALA  87  22.893 -15.912  -7.079
  517   2HB   ALA  87          2HB       ALA  87  22.165 -16.078  -8.676
  518   3HB   ALA  87          3HB       ALA  87  21.211 -16.416  -7.231
  519    H    GLN  88           H        GLN  88  19.024 -13.736  -7.528
  520    HA   GLN  88           HA       GLN  88  18.842 -13.376 -10.507
  521   1HB   GLN  88          1HB       GLN  88  16.679 -14.644  -8.814
  522   2HB   GLN  88          2HB       GLN  88  16.792 -14.594 -10.576
  523   1HG   GLN  88          1HG       GLN  88  19.003 -15.877 -10.308
  524   2HG   GLN  88          2HG       GLN  88  18.501 -16.169  -8.642
  525   1HE2  GLN  88          1HE2      GLN  88  18.604 -18.526  -9.674
  526   2HE2  GLN  88          2HE2      GLN  88  17.147 -19.093 -10.328
  527    H    GLY  89           H        GLY  89  19.165 -11.263  -8.611
  528   1HA   GLY  89          1HA       GLY  89  18.261  -9.150  -8.209
  529   2HA   GLY  89          2HA       GLY  89  17.061  -9.529  -9.430
  530    H    GLY  90           H        GLY  90  16.547 -11.978  -7.405
  531   1HA   GLY  90          1HA       GLY  90  14.120 -11.129  -6.374
  532   2HA   GLY  90          2HA       GLY  90  15.093 -12.380  -5.614
  533    H    ASP  91           H        ASP  91  13.857  -9.278  -5.260
  534    HA   ASP  91           HA       ASP  91  15.881  -8.214  -3.469
  535   1HB   ASP  91          1HB       ASP  91  13.038  -7.408  -4.109
  536   2HB   ASP  91          2HB       ASP  91  14.010  -6.569  -2.913
  537    H    TYR  92           H        TYR  92  16.047  -8.589  -1.320
  538    HA   TYR  92           HA       TYR  92  13.754  -9.897   0.113
  539   1HB   TYR  92          1HB       TYR  92  16.716 -10.521   0.384
  540   2HB   TYR  92          2HB       TYR  92  15.424 -11.251   1.337
  541    HD1  TYR  92           HD1      TYR  92  13.633 -12.611   0.151
  542    HD2  TYR  92           HD2      TYR  92  17.212 -11.297  -1.825
  543    HE1  TYR  92           HE1      TYR  92  13.250 -14.268  -1.648
  544    HE2  TYR  92           HE2      TYR  92  16.826 -12.949  -3.622
  545    HH   TYR  92           HH       TYR  92  15.642 -15.056  -3.958
  546    H    PHE  93           H        PHE  93  13.140  -8.681   1.847
  547    HA   PHE  93           HA       PHE  93  14.972  -6.539   2.789
  548   1HB   PHE  93          1HB       PHE  93  12.008  -6.958   3.298
  549   2HB   PHE  93          2HB       PHE  93  12.951  -5.550   3.756
  550    HD1  PHE  93           HD1      PHE  93  14.106  -4.185   1.895
  551    HD2  PHE  93           HD2      PHE  93  11.068  -7.127   1.125
  552    HE1  PHE  93           HE1      PHE  93  13.741  -3.230  -0.359
  553    HE2  PHE  93           HE2      PHE  93  10.706  -6.163  -1.126
  554    HZ   PHE  93           HZ       PHE  93  12.044  -4.214  -1.868
  555    H    TYR  94           H        TYR  94  16.133  -6.974   4.538
  556    HA   TYR  94           HA       TYR  94  15.144  -8.976   6.531
  557   1HB   TYR  94          1HB       TYR  94  17.824  -8.047   5.566
  558   2HB   TYR  94          2HB       TYR  94  17.721  -8.464   7.274
  559    HD1  TYR  94           HD1      TYR  94  17.459 -10.714   8.002
  560    HD2  TYR  94           HD2      TYR  94  17.238  -9.735   3.829
  561    HE1  TYR  94           HE1      TYR  94  17.558 -13.124   7.425
  562    HE2  TYR  94           HE2      TYR  94  17.340 -12.139   3.256
  563    HH   TYR  94           HH       TYR  94  17.384 -14.636   5.791
  564    H    SER  95           H        SER  95  14.627  -8.279   8.575
  565    HA   SER  95           HA       SER  95  15.360  -5.465   9.341
  566   1HB   SER  95          1HB       SER  95  12.839  -6.110   8.730
  567   2HB   SER  95          2HB       SER  95  12.832  -6.672  10.393
  568    HG   SER  95           HG       SER  95  12.855  -4.698  11.052
  569    H    PHE  96           H        PHE  96  16.292  -5.283  11.293
  570    HA   PHE  96           HA       PHE  96  16.129  -7.552  13.238
  571   1HB   PHE  96          1HB       PHE  96  18.582  -6.052  12.289
  572   2HB   PHE  96          2HB       PHE  96  18.528  -6.956  13.802
  573    HD1  PHE  96           HD1      PHE  96  19.048  -7.175  10.272
  574    HD2  PHE  96           HD2      PHE  96  17.759  -9.428  13.678
  575    HE1  PHE  96           HE1      PHE  96  19.523  -9.271   9.056
  576    HE2  PHE  96           HE2      PHE  96  18.221 -11.537  12.461
  577    HZ   PHE  96           HZ       PHE  96  19.104 -11.458  10.147
  578    H    GLY  97           H        GLY  97  14.623  -6.245  14.370
  579   1HA   GLY  97          1HA       GLY  97  15.030  -4.830  16.535
  580   2HA   GLY  97          2HA       GLY  97  15.523  -3.593  15.377
  581    H    GLY  98           H        GLY  98  13.645  -2.328  16.205
  582   1HA   GLY  98          1HA       GLY  98  11.375  -1.650  16.134
  583   2HA   GLY  98          2HA       GLY  98  11.484  -2.230  14.477
  584    H    CYS  99           H        CYS  99  11.938  -4.501  17.081
  585    HA   CYS  99           HA       CYS  99   9.922  -6.252  16.105
  586   1HB   CYS  99          1HB       CYS  99  10.786  -6.329  18.987
  587   2HB   CYS  99          2HB       CYS  99  10.530  -7.663  17.861
  588    HG   CYS  99           HG       CYS  99  12.952  -7.560  17.399
  589    H    HIS 100           H        HIS 100   9.880  -4.272  19.100
  590    HA   HIS 100           HA       HIS 100   7.155  -4.799  19.720
  591   1HB   HIS 100          1HB       HIS 100   9.056  -2.567  20.431
  592   2HB   HIS 100          2HB       HIS 100   7.376  -2.515  20.958
  593    HD1  HIS 100           HD1      HIS 100  10.319  -4.949  21.076
  594    HD2  HIS 100           HD2      HIS 100   6.941  -3.937  23.307
  595    HE1  HIS 100           HE1      HIS 100  10.404  -6.352  23.185
  596    H    ARG 101           H        ARG 101   8.620  -2.296  17.653
  597    HA   ARG 101           HA       ARG 101   6.153  -0.868  17.245
  598   1HB   ARG 101          1HB       ARG 101   8.406   0.095  16.748
  599   2HB   ARG 101          2HB       ARG 101   8.547  -1.003  15.382
  600   1HG   ARG 101          1HG       ARG 101   7.023   0.166  14.093
  601   2HG   ARG 101          2HG       ARG 101   6.042   0.636  15.478
  602   1HD   ARG 101          1HD       ARG 101   8.782   1.832  15.236
  603   2HD   ARG 101          2HD       ARG 101   7.506   2.436  14.181
  604    HE   ARG 101           HE       ARG 101   6.305   2.491  16.645
  605   1HH1  ARG 101          1HH1      ARG 101   9.337   3.556  15.399
  606   2HH1  ARG 101          2HH1      ARG 101   9.469   4.892  16.494
  607   1HH2  ARG 101          1HH2      ARG 101   6.458   4.231  18.081
  608   2HH2  ARG 101          2HH2      ARG 101   7.839   5.274  18.012
  609    H    TYR 102           H        TYR 102   7.560  -3.724  15.752
  610    HA   TYR 102           HA       TYR 102   5.872  -3.771  13.425
  611   1HB   TYR 102          1HB       TYR 102   7.818  -5.165  13.412
  612   2HB   TYR 102          2HB       TYR 102   7.380  -5.918  14.939
  613    HD1  TYR 102           HD1      TYR 102   5.533  -7.514  15.081
  614    HD2  TYR 102           HD2      TYR 102   6.806  -5.904  11.313
  615    HE1  TYR 102           HE1      TYR 102   4.314  -9.316  13.907
  616    HE2  TYR 102           HE2      TYR 102   5.590  -7.714  10.130
  617    HH   TYR 102           HH       TYR 102   3.601 -10.058  11.913
  618    H    ALA 103           H        ALA 103   5.559  -5.181  16.681
  619    HA   ALA 103           HA       ALA 103   3.121  -6.584  16.257
  620   1HB   ALA 103          1HB       ALA 103   4.660  -6.631  18.321
  621   2HB   ALA 103          2HB       ALA 103   2.923  -6.681  18.622
  622   3HB   ALA 103          3HB       ALA 103   3.812  -5.174  18.841
  623    H    ALA 104           H        ALA 104   3.676  -3.216  17.322
  624    HA   ALA 104           HA       ALA 104   0.949  -2.536  17.699
  625   1HB   ALA 104          1HB       ALA 104   3.370  -0.904  16.927
  626   2HB   ALA 104          2HB       ALA 104   2.544  -0.964  18.484
  627   3HB   ALA 104          3HB       ALA 104   1.781  -0.163  17.111
  628    H    TYR 105           H        TYR 105   2.964  -2.478  14.772
  629    HA   TYR 105           HA       TYR 105   0.880  -1.364  13.102
  630   1HB   TYR 105          1HB       TYR 105   3.606  -2.529  12.740
  631   2HB   TYR 105          2HB       TYR 105   2.547  -2.623  11.342
  632    HD1  TYR 105           HD1      TYR 105   1.907  -0.665  10.106
  633    HD2  TYR 105           HD2      TYR 105   4.189  -0.314  13.725
  634    HE1  TYR 105           HE1      TYR 105   2.355   1.719   9.590
  635    HE2  TYR 105           HE2      TYR 105   4.641   2.069  13.210
  636    HH   TYR 105           HH       TYR 105   3.449   3.903  11.810
  637    H    GLN 106           H        GLN 106   2.050  -4.678  13.750
  638    HA   GLN 106           HA       GLN 106   0.364  -6.003  11.890
  639   1HB   GLN 106          1HB       GLN 106   2.304  -6.985  13.216
  640   2HB   GLN 106          2HB       GLN 106   1.192  -7.101  14.582
  641   1HG   GLN 106          1HG       GLN 106  -0.341  -8.477  13.214
  642   2HG   GLN 106          2HG       GLN 106   0.765  -8.342  11.852
  643   1HE2  GLN 106          1HE2      GLN 106   0.496  -9.731  15.162
  644   2HE2  GLN 106          2HE2      GLN 106   1.742 -10.856  14.939
  645    H    GLN 107           H        GLN 107  -0.122  -5.378  15.380
  646    HA   GLN 107           HA       GLN 107  -2.685  -6.494  15.634
  647   1HB   GLN 107          1HB       GLN 107  -1.226  -5.612  17.480
  648   2HB   GLN 107          2HB       GLN 107  -1.689  -3.981  17.002
  649   1HG   GLN 107          1HG       GLN 107  -3.811  -6.049  17.598
  650   2HG   GLN 107          2HG       GLN 107  -3.022  -5.180  18.904
  651   1HE2  GLN 107          1HE2      GLN 107  -5.674  -4.640  18.740
  652   2HE2  GLN 107          2HE2      GLN 107  -5.968  -3.132  18.018
  653    H    LEU 108           H        LEU 108  -1.752  -3.231  14.546
  654    HA   LEU 108           HA       LEU 108  -4.494  -2.324  14.273
  655   1HB   LEU 108          1HB       LEU 108  -1.886  -1.289  13.134
  656   2HB   LEU 108          2HB       LEU 108  -3.430  -0.464  12.938
  657    HG   LEU 108           HG       LEU 108  -2.229  -1.200  15.628
  658   1HD1  LEU 108          1HD1      LEU 108  -0.938   0.525  14.226
  659   2HD1  LEU 108          2HD1      LEU 108  -1.438   1.030  15.840
  660   3HD1  LEU 108          3HD1      LEU 108  -2.345   1.570  14.425
  661   1HD2  LEU 108          1HD2      LEU 108  -4.738   0.189  14.736
  662   2HD2  LEU 108          2HD2      LEU 108  -3.948   0.771  16.198
  663   3HD2  LEU 108          3HD2      LEU 108  -4.478  -0.903  16.096
  664    H    GLN 109           H        GLN 109  -3.066  -4.748  12.712
  665    HA   GLN 109           HA       GLN 109  -3.291  -5.721  10.581
  666   1HB   GLN 109          1HB       GLN 109  -5.926  -4.231  10.590
  667   2HB   GLN 109          2HB       GLN 109  -5.552  -5.743   9.763
  668   1HG   GLN 109          1HG       GLN 109  -5.056  -6.727  12.064
  669   2HG   GLN 109          2HG       GLN 109  -5.776  -5.268  12.744
  670   1HE2  GLN 109          1HE2      GLN 109  -6.477  -8.313  11.161
  671   2HE2  GLN 109          2HE2      GLN 109  -8.167  -8.158  11.178
  672    H    ARG 110           H        ARG 110  -1.933  -3.133  10.589
  673    HA   ARG 110           HA       ARG 110  -2.929  -1.509   8.419
  674   1HB   ARG 110          1HB       ARG 110  -0.201  -1.779   9.707
  675   2HB   ARG 110          2HB       ARG 110  -0.546  -0.609   8.437
  676   1HG   ARG 110          1HG       ARG 110  -2.314  -0.711  10.887
  677   2HG   ARG 110          2HG       ARG 110  -0.757   0.103  10.978
  678   1HD   ARG 110          1HD       ARG 110  -2.972   0.734   9.004
  679   2HD   ARG 110          2HD       ARG 110  -2.500   1.715  10.388
  680    HE   ARG 110           HE       ARG 110  -0.210   1.304   8.731
  681   1HH1  ARG 110          1HH1      ARG 110  -3.273   2.884   8.833
  682   2HH1  ARG 110          2HH1      ARG 110  -2.786   4.184   7.798
  683   1HH2  ARG 110          1HH2      ARG 110   0.444   2.992   7.379
  684   2HH2  ARG 110          2HH2      ARG 110  -0.682   4.245   6.974
  685    H    GLU 111           H        GLU 111  -1.960  -1.374   6.286
  686    HA   GLU 111           HA       GLU 111  -1.415  -4.033   5.190
  687   1HB   GLU 111          1HB       GLU 111  -1.750  -1.293   3.969
  688   2HB   GLU 111          2HB       GLU 111  -1.252  -2.683   3.005
  689   1HG   GLU 111          1HG       GLU 111  -3.690  -2.408   2.917
  690   2HG   GLU 111          2HG       GLU 111  -3.279  -3.904   3.746
  691    H    THR 112           H        THR 112   0.439  -0.978   5.539
  692    HA   THR 112           HA       THR 112   2.938  -2.586   5.049
  693    HB   THR 112           HB       THR 112   3.831  -0.536   3.884
  694    HG1  THR 112           HG1      THR 112   1.102   0.196   4.071
  695   1HG2  THR 112          1HG2      THR 112   1.802  -0.919   1.990
  696   2HG2  THR 112          2HG2      THR 112   1.843  -2.442   2.878
  697   3HG2  THR 112          3HG2      THR 112   3.302  -1.831   2.097
  698    H    ILE 113           H        ILE 113   4.900  -1.095   5.673
  699    HA   ILE 113           HA       ILE 113   4.251   0.568   8.060
  700    HB   ILE 113           HB       ILE 113   4.811  -1.787   8.783
  701   1HG1  ILE 113          1HG1      ILE 113   6.833   0.301   9.635
  702   2HG1  ILE 113          2HG1      ILE 113   5.156   0.295  10.184
  703   1HG2  ILE 113          1HG2      ILE 113   7.645  -1.075   8.001
  704   2HG2  ILE 113          2HG2      ILE 113   6.600  -1.989   6.917
  705   3HG2  ILE 113          3HG2      ILE 113   7.011  -2.642   8.504
  706   1HD1  ILE 113          1HD1      ILE 113   5.555  -2.086  10.988
  707   2HD1  ILE 113          2HD1      ILE 113   6.446  -0.842  11.866
  708   3HD1  ILE 113          3HD1      ILE 113   7.268  -1.826  10.656
  709    HA   PRO 114           HA       PRO 114   7.455   3.045   6.073
  710   1HB   PRO 114          1HB       PRO 114   7.969   4.389   8.670
  711   2HB   PRO 114          2HB       PRO 114   7.365   5.079   7.154
  712   1HG   PRO 114          1HG       PRO 114   5.799   4.762   9.327
  713   2HG   PRO 114          2HG       PRO 114   5.170   4.618   7.677
  714   1HD   PRO 114          1HD       PRO 114   5.895   2.437   9.625
  715   2HD   PRO 114          2HD       PRO 114   4.505   2.562   8.532
  716    H    ALA 115           H        ALA 115   9.578   2.507   5.748
  717    HA   ALA 115           HA       ALA 115  11.324   1.819   8.024
  718   1HB   ALA 115          1HB       ALA 115  11.979  -0.358   6.997
  719   2HB   ALA 115          2HB       ALA 115  10.685  -0.160   5.814
  720   3HB   ALA 115          3HB       ALA 115  10.296  -0.342   7.525
  721    H    LYS 116           H        LYS 116  13.384   2.477   7.592
  722    HA   LYS 116           HA       LYS 116  13.924   3.776   5.048
  723   1HB   LYS 116          1HB       LYS 116  14.788   4.375   7.472
  724   2HB   LYS 116          2HB       LYS 116  16.056   3.212   7.110
  725   1HG   LYS 116          1HG       LYS 116  16.658   4.473   5.094
  726   2HG   LYS 116          2HG       LYS 116  15.329   5.592   5.388
  727   1HD   LYS 116          1HD       LYS 116  17.394   6.602   6.194
  728   2HD   LYS 116          2HD       LYS 116  16.373   6.204   7.573
  729   1HE   LYS 116          1HE       LYS 116  17.725   4.402   8.219
  730   2HE   LYS 116          2HE       LYS 116  18.419   4.212   6.608
  731   1HZ   LYS 116          1HZ       LYS 116  19.778   5.337   8.491
  732   2HZ   LYS 116          2HZ       LYS 116  18.868   6.712   8.081
  733   3HZ   LYS 116          3HZ       LYS 116  19.844   5.957   6.914
  734    H    LEU 117           H        LEU 117  14.656   2.701   3.290
  735    HA   LEU 117           HA       LEU 117  15.641  -0.048   3.539
  736   1HB   LEU 117          1HB       LEU 117  15.625   1.730   1.085
  737   2HB   LEU 117          2HB       LEU 117  15.821  -0.018   1.110
  738    HG   LEU 117           HG       LEU 117  13.342   1.527   1.941
  739   1HD1  LEU 117          1HD1      LEU 117  13.404   1.429  -0.430
  740   2HD1  LEU 117          2HD1      LEU 117  12.392   0.058   0.032
  741   3HD1  LEU 117          3HD1      LEU 117  14.073  -0.202  -0.429
  742   1HD2  LEU 117          1HD2      LEU 117  12.416  -0.916   2.004
  743   2HD2  LEU 117          2HD2      LEU 117  13.336  -0.333   3.387
  744   3HD2  LEU 117          3HD2      LEU 117  14.107  -1.381   2.194
  745    H    VAL 118           H        VAL 118  17.727  -0.692   3.548
  746    HA   VAL 118           HA       VAL 118  19.873   1.357   3.104
  747    HB   VAL 118           HB       VAL 118  19.567  -0.732   5.273
  748   1HG1  VAL 118          1HG1      VAL 118  21.910   0.008   5.953
  749   2HG1  VAL 118          2HG1      VAL 118  22.067   0.693   4.337
  750   3HG1  VAL 118          3HG1      VAL 118  21.823  -1.043   4.538
  751   1HG2  VAL 118          1HG2      VAL 118  19.760   1.113   6.763
  752   2HG2  VAL 118          2HG2      VAL 118  18.668   1.656   5.488
  753   3HG2  VAL 118          3HG2      VAL 118  20.354   2.177   5.489
  754    H    GLN 119           H        GLN 119  20.698   0.701   1.130
  755    HA   GLN 119           HA       GLN 119  20.700  -1.953   0.171
  756   1HB   GLN 119          1HB       GLN 119  21.328   0.270  -1.068
  757   2HB   GLN 119          2HB       GLN 119  22.953  -0.043  -0.473
  758   1HG   GLN 119          1HG       GLN 119  21.306  -1.770  -2.349
  759   2HG   GLN 119          2HG       GLN 119  22.842  -0.979  -2.666
  760   1HE2  GLN 119          1HE2      GLN 119  21.409  -3.858  -1.248
  761   2HE2  GLN 119          2HE2      GLN 119  22.876  -4.586  -0.829
  762    H    SER 120           H        SER 120  21.842  -3.720   0.845
  763    HA   SER 120           HA       SER 120  24.394  -3.304   2.368
  764   1HB   SER 120          1HB       SER 120  21.964  -4.908   3.132
  765   2HB   SER 120          2HB       SER 120  23.548  -5.353   3.746
  766    HG   SER 120           HG       SER 120  22.116  -2.952   4.111
  767    H    THR 121           H        THR 121  25.340  -5.709   2.722
  768    HA   THR 121           HA       THR 121  25.176  -7.155   0.093
  769    HB   THR 121           HB       THR 121  27.663  -7.641   0.537
  770    HG1  THR 121           HG1      THR 121  27.033  -5.765   2.499
  771   1HG2  THR 121          1HG2      THR 121  27.077  -6.168  -1.254
  772   2HG2  THR 121          2HG2      THR 121  28.324  -5.337  -0.322
  773   3HG2  THR 121          3HG2      THR 121  26.631  -4.880  -0.135
  774    H    LEU 122           H        LEU 122  25.816  -9.459   0.272
  775    HA   LEU 122           HA       LEU 122  24.496 -10.779   2.381
  776   1HB   LEU 122          1HB       LEU 122  25.215 -11.827   0.182
  777   2HB   LEU 122          2HB       LEU 122  26.841 -11.936   0.849
  778    HG   LEU 122           HG       LEU 122  25.886 -13.262   2.772
  779   1HD1  LEU 122          1HD1      LEU 122  23.598 -12.854   2.915
  780   2HD1  LEU 122          2HD1      LEU 122  23.577 -14.363   2.014
  781   3HD1  LEU 122          3HD1      LEU 122  23.379 -12.832   1.168
  782   1HD2  LEU 122          1HD2      LEU 122  25.611 -14.255  -0.071
  783   2HD2  LEU 122          2HD2      LEU 122  25.426 -15.322   1.323
  784   3HD2  LEU 122          3HD2      LEU 122  26.962 -14.499   1.038
  785    H    SER 123           H        SER 123  27.857  -9.677   2.192
  786    HA   SER 123           HA       SER 123  28.925 -11.073   4.408
  787   1HB   SER 123          1HB       SER 123  29.501  -8.211   3.573
  788   2HB   SER 123          2HB       SER 123  30.536  -9.225   4.579
  789    HG   SER 123           HG       SER 123  30.623 -10.693   2.785
  790    H    ASP 124           H        ASP 124  27.079  -8.014   4.312
  791    HA   ASP 124           HA       ASP 124  27.230  -7.388   7.069
  792   1HB   ASP 124          1HB       ASP 124  25.187  -6.864   4.909
  793   2HB   ASP 124          2HB       ASP 124  24.909  -6.329   6.553
  794    H    LEU 125           H        LEU 125  24.981  -9.486   5.257
  795    HA   LEU 125           HA       LEU 125  23.336 -10.113   7.506
  796   1HB   LEU 125          1HB       LEU 125  23.164 -10.665   4.831
  797   2HB   LEU 125          2HB       LEU 125  23.651 -12.243   5.434
  798    HG   LEU 125           HG       LEU 125  21.774 -12.117   7.102
  799   1HD1  LEU 125          1HD1      LEU 125  21.387  -9.481   5.739
  800   2HD1  LEU 125          2HD1      LEU 125  21.053  -9.946   7.403
  801   3HD1  LEU 125          3HD1      LEU 125  19.930 -10.393   6.127
  802   1HD2  LEU 125          1HD2      LEU 125  21.625 -13.319   4.925
  803   2HD2  LEU 125          2HD2      LEU 125  20.935 -11.866   4.202
  804   3HD2  LEU 125          3HD2      LEU 125  20.063 -12.715   5.478
  805    H    ARG 126           H        ARG 126  26.410 -11.474   6.388
  806    HA   ARG 126           HA       ARG 126  26.357 -13.809   8.074
  807   1HB   ARG 126          1HB       ARG 126  28.012 -13.856   6.403
  808   2HB   ARG 126          2HB       ARG 126  28.523 -12.205   6.715
  809   1HG   ARG 126          1HG       ARG 126  28.900 -14.170   8.948
  810   2HG   ARG 126          2HG       ARG 126  29.950 -14.352   7.551
  811   1HD   ARG 126          1HD       ARG 126  30.986 -12.292   7.887
  812   2HD   ARG 126          2HD       ARG 126  29.606 -11.614   8.747
  813    HE   ARG 126           HE       ARG 126  30.762 -13.802  10.233
  814   1HH1  ARG 126          1HH1      ARG 126  31.144 -10.503   9.310
  815   2HH1  ARG 126          2HH1      ARG 126  32.050 -10.074  10.722
  816   1HH2  ARG 126          1HH2      ARG 126  31.943 -13.262  12.082
  817   2HH2  ARG 126          2HH2      ARG 126  32.503 -11.636  12.292
  818    H    VAL 127           H        VAL 127  27.177 -10.426   8.675
  819    HA   VAL 127           HA       VAL 127  28.460 -10.782  11.199
  820    HB   VAL 127           HB       VAL 127  26.731  -8.477  10.241
  821   1HG1  VAL 127          1HG1      VAL 127  27.019  -8.390  12.650
  822   2HG1  VAL 127          2HG1      VAL 127  28.100  -7.201  11.924
  823   3HG1  VAL 127          3HG1      VAL 127  28.740  -8.741  12.496
  824   1HG2  VAL 127          1HG2      VAL 127  28.951  -7.455   9.707
  825   2HG2  VAL 127          2HG2      VAL 127  28.610  -8.886   8.738
  826   3HG2  VAL 127          3HG2      VAL 127  29.717  -8.992  10.104
  827    H    TYR 128           H        TYR 128  25.061 -10.646  10.208
  828    HA   TYR 128           HA       TYR 128  24.145 -10.787  13.030
  829   1HB   TYR 128          1HB       TYR 128  22.611 -10.814  10.417
  830   2HB   TYR 128          2HB       TYR 128  21.872 -10.821  12.015
  831    HD1  TYR 128           HD1      TYR 128  22.228  -8.873  13.566
  832    HD2  TYR 128           HD2      TYR 128  23.455  -8.807   9.453
  833    HE1  TYR 128           HE1      TYR 128  22.369  -6.400  13.648
  834    HE2  TYR 128           HE2      TYR 128  23.596  -6.335   9.533
  835    HH   TYR 128           HH       TYR 128  22.405  -4.513  12.254
  836    H    LEU 129           H        LEU 129  23.933 -12.806  10.097
  837    HA   LEU 129           HA       LEU 129  23.271 -15.171  11.812
  838   1HB   LEU 129          1HB       LEU 129  22.658 -14.645   8.897
  839   2HB   LEU 129          2HB       LEU 129  22.173 -16.063   9.816
  840    HG   LEU 129           HG       LEU 129  21.268 -13.206  10.260
  841   1HD1  LEU 129          1HD1      LEU 129  20.083 -14.170   8.434
  842   2HD1  LEU 129          2HD1      LEU 129  19.013 -14.359   9.822
  843   3HD1  LEU 129          3HD1      LEU 129  19.951 -15.733   9.239
  844   1HD2  LEU 129          1HD2      LEU 129  20.947 -15.691  11.939
  845   2HD2  LEU 129          2HD2      LEU 129  19.695 -14.446  11.952
  846   3HD2  LEU 129          3HD2      LEU 129  21.336 -14.048  12.454
  847    H    GLY 130           H        GLY 130  25.980 -14.504  11.470
  848   1HA   GLY 130          1HA       GLY 130  27.190 -15.718   9.185
  849   2HA   GLY 130          2HA       GLY 130  28.005 -15.414  10.718
  850    H    ALA 131           H        ALA 131  25.138 -17.495  10.230
  851    HA   ALA 131           HA       ALA 131  26.762 -19.930  10.440
  852   1HB   ALA 131          1HB       ALA 131  25.029 -18.929  12.703
  853   2HB   ALA 131          2HB       ALA 131  26.687 -19.523  12.771
  854   3HB   ALA 131          3HB       ALA 131  25.360 -20.650  12.495
  855    H    SER 132           H        SER 132  23.408 -18.716  10.869
  856    HA   SER 132           HA       SER 132  22.427 -21.044   9.277
  857   1HB   SER 132          1HB       SER 132  20.890 -18.958  10.857
  858   2HB   SER 132          2HB       SER 132  20.205 -20.393  10.094
  859    HG   SER 132           HG       SER 132  21.597 -21.641  11.442
  860    H    THR 133           H        THR 133  23.857 -18.889   7.958
  861    HA   THR 133           HA       THR 133  21.905 -17.126   6.730
  862    HB   THR 133           HB       THR 133  24.462 -17.508   5.276
  863    HG1  THR 133           HG1      THR 133  25.447 -17.924   7.106
  864   1HG2  THR 133          1HG2      THR 133  24.516 -15.165   5.288
  865   2HG2  THR 133          2HG2      THR 133  23.587 -15.054   6.784
  866   3HG2  THR 133          3HG2      THR 133  22.786 -15.511   5.280
  867    HA   PRO 134           HA       PRO 134  20.925 -20.413   3.699
  868   1HB   PRO 134          1HB       PRO 134  18.699 -19.320   2.622
  869   2HB   PRO 134          2HB       PRO 134  18.695 -20.020   4.250
  870   1HG   PRO 134          1HG       PRO 134  18.863 -17.152   3.416
  871   2HG   PRO 134          2HG       PRO 134  17.927 -17.885   4.730
  872   1HD   PRO 134          1HD       PRO 134  20.375 -16.614   5.078
  873   2HD   PRO 134          2HD       PRO 134  19.731 -17.835   6.191
  874    H    ASP 135           H        ASP 135  20.174 -20.135   1.195
  875    HA   ASP 135           HA       ASP 135  22.177 -18.303  -0.044
  876   1HB   ASP 135          1HB       ASP 135  22.237 -20.814  -0.467
  877   2HB   ASP 135          2HB       ASP 135  20.736 -20.614  -1.364
  878    H    LEU 136           H        LEU 136  21.452 -16.635  -1.163
  879    HA   LEU 136           HA       LEU 136  18.542 -16.270  -1.562
  880   1HB   LEU 136          1HB       LEU 136  20.872 -14.392  -2.030
  881   2HB   LEU 136          2HB       LEU 136  19.171 -13.955  -2.163
  882    HG   LEU 136           HG       LEU 136  20.511 -14.988   0.353
  883   1HD1  LEU 136          1HD1      LEU 136  19.475 -12.203  -0.230
  884   2HD1  LEU 136          2HD1      LEU 136  21.162 -12.661  -0.465
  885   3HD1  LEU 136          3HD1      LEU 136  20.445 -12.725   1.146
  886   1HD2  LEU 136          1HD2      LEU 136  18.262 -15.583   0.606
  887   2HD2  LEU 136          2HD2      LEU 136  17.686 -14.222  -0.364
  888   3HD2  LEU 136          3HD2      LEU 136  18.264 -13.956   1.278
  889    H    GLN 137           H        GLN 137  17.551 -16.204  -3.522
  890    HA   GLN 137           HA       GLN 137  19.219 -16.486  -5.995
  891   1HB   GLN 137          1HB       GLN 137  16.556 -17.868  -5.634
  892   2HB   GLN 137          2HB       GLN 137  17.823 -18.210  -6.809
  893   1HG   GLN 137          1HG       GLN 137  17.966 -18.688  -3.820
  894   2HG   GLN 137          2HG       GLN 137  17.842 -19.923  -5.071
  895   1HE2  GLN 137          1HE2      GLN 137  20.114 -18.750  -3.044
  896   2HE2  GLN 137          2HE2      GLN 137  21.487 -18.842  -4.027
  897   1H5*  ATP   1          1H5*      ATP   1  10.150   2.552  19.946
  898   2H5*  ATP   1          2H5*      ATP   1  11.221   2.613  21.312
  899    H4*  ATP   1           H4*      ATP   1  11.842   4.795  19.349
  900    H3*  ATP   1           H3*      ATP   1  11.101   4.664  22.320
  901   *HO3  ATP   1          *HO3      ATP   1  13.356   4.693  21.304
  902    H2*  ATP   1           H2*      ATP   1  10.233   6.799  22.306
  903   *HO2  ATP   1          *HO2      ATP   1  12.463   7.076  21.181
  904    H1*  ATP   1           H1*      ATP   1   9.845   6.983  19.410
  905    H8   ATP   1           H8       ATP   1   7.639   8.256  19.712
  906    H2   ATP   1           H2       ATP   1   7.479   3.112  23.578
  907   1HN6  ATP   1          1HN6      ATP   1   3.682   5.581  23.672
  908   2HN6  ATP   1          2HN6      ATP   1   3.764   6.601  22.261
  Start of MODEL   13
    1   1H    GLY  17          1H        GLY  17  39.611   5.144  18.184
    2   2H    GLY  17          2H        GLY  17  40.509   6.558  17.896
    3   3H    GLY  17          3H        GLY  17  40.042   5.565  16.599
    4   1HA   GLY  17          1HA       GLY  17  38.626   7.485  16.647
    5   2HA   GLY  17          2HA       GLY  17  37.698   6.050  17.082
    6    H    ALA  18           H        ALA  18  36.897   8.642  17.877
    7    HA   ALA  18           HA       ALA  18  37.787   9.196  20.580
    8   1HB   ALA  18          1HB       ALA  18  35.576  10.619  20.525
    9   2HB   ALA  18          2HB       ALA  18  35.560  10.192  18.815
   10   3HB   ALA  18          3HB       ALA  18  36.922  11.086  19.487
   11    HA   PRO  19           HA       PRO  19  35.165   6.289  22.687
   12   1HB   PRO  19          1HB       PRO  19  34.773   7.523  25.089
   13   2HB   PRO  19          2HB       PRO  19  36.344   6.854  24.608
   14   1HG   PRO  19          1HG       PRO  19  35.377   9.687  24.491
   15   2HG   PRO  19          2HG       PRO  19  36.934   9.057  25.055
   16   1HD   PRO  19          1HD       PRO  19  36.600  10.131  22.559
   17   2HD   PRO  19          2HD       PRO  19  37.771   8.837  22.889
   18    H    GLU  20           H        GLU  20  34.042   9.529  22.119
   19    HA   GLU  20           HA       GLU  20  31.310   8.596  21.790
   20   1HB   GLU  20          1HB       GLU  20  31.229   8.802  24.197
   21   2HB   GLU  20          2HB       GLU  20  32.019  10.375  24.142
   22   1HG   GLU  20          1HG       GLU  20  29.518  10.475  24.488
   23   2HG   GLU  20          2HG       GLU  20  30.090  11.387  23.094
   24    H    GLY  21           H        GLY  21  30.595   9.760  20.075
   25   1HA   GLY  21          1HA       GLY  21  30.376  12.505  19.820
   26   2HA   GLY  21          2HA       GLY  21  31.998  12.164  19.218
   27    HA   PRO  22           HA       PRO  22  28.759  11.935  15.745
   28   1HB   PRO  22          1HB       PRO  22  31.295  12.900  14.445
   29   2HB   PRO  22          2HB       PRO  22  29.615  13.364  14.112
   30   1HG   PRO  22          1HG       PRO  22  31.208  14.948  15.535
   31   2HG   PRO  22          2HG       PRO  22  29.502  14.751  15.969
   32   1HD   PRO  22          1HD       PRO  22  31.936  13.629  17.314
   33   2HD   PRO  22          2HD       PRO  22  30.379  14.107  18.023
   34    H    GLY  23           H        GLY  23  28.926  10.555  13.772
   35   1HA   GLY  23          1HA       GLY  23  31.229   8.844  13.373
   36   2HA   GLY  23          2HA       GLY  23  29.934   7.996  14.218
   37    HA   PRO  24           HA       PRO  24  27.809   7.381  10.402
   38   1HB   PRO  24          1HB       PRO  24  25.185   7.792  10.998
   39   2HB   PRO  24          2HB       PRO  24  26.108   6.437  11.676
   40   1HG   PRO  24          1HG       PRO  24  25.422   9.072  12.922
   41   2HG   PRO  24          2HG       PRO  24  25.357   7.448  13.627
   42   1HD   PRO  24          1HD       PRO  24  27.446   9.194  14.059
   43   2HD   PRO  24          2HD       PRO  24  27.640   7.429  14.093
   44    H    SER  25           H        SER  25  28.134  10.477  11.545
   45    HA   SER  25           HA       SER  25  27.531  11.662   8.971
   46   1HB   SER  25          1HB       SER  25  25.240  11.596   9.696
   47   2HB   SER  25          2HB       SER  25  25.669  12.187  11.302
   48    HG   SER  25           HG       SER  25  24.815  13.786   9.797
   49    H    GLY  26           H        GLY  26  27.444  14.291   9.517
   50   1HA   GLY  26          1HA       GLY  26  28.755  15.435  11.664
   51   2HA   GLY  26          2HA       GLY  26  30.068  14.801  10.673
   52    H    GLY  27           H        GLY  27  26.988  16.131   9.514
   53   1HA   GLY  27          1HA       GLY  27  27.983  18.738   8.863
   54   2HA   GLY  27          2HA       GLY  27  28.143  17.685   7.457
   55    H    ALA  28           H        ALA  28  26.330  20.017   7.898
   56    HA   ALA  28           HA       ALA  28  23.643  19.027   8.269
   57   1HB   ALA  28          1HB       ALA  28  24.568  21.517   6.803
   58   2HB   ALA  28          2HB       ALA  28  24.279  21.422   8.540
   59   3HB   ALA  28          3HB       ALA  28  22.941  21.209   7.410
   60    H    GLN  29           H        GLN  29  25.840  18.504   5.808
   61    HA   GLN  29           HA       GLN  29  23.709  17.500   4.030
   62   1HB   GLN  29          1HB       GLN  29  25.696  19.622   3.158
   63   2HB   GLN  29          2HB       GLN  29  24.693  18.687   2.049
   64   1HG   GLN  29          1HG       GLN  29  22.684  19.514   3.413
   65   2HG   GLN  29          2HG       GLN  29  23.796  20.664   4.154
   66   1HE2  GLN  29          1HE2      GLN  29  25.209  20.465   1.283
   67   2HE2  GLN  29          2HE2      GLN  29  24.332  21.610   0.388
   68    H    GLY  30           H        GLY  30  24.486  15.859   2.635
   69   1HA   GLY  30          1HA       GLY  30  27.157  15.289   1.982
   70   2HA   GLY  30          2HA       GLY  30  26.856  14.484   3.521
   71    H    GLY  31           H        GLY  31  24.227  13.664   3.225
   72   1HA   GLY  31          1HA       GLY  31  24.553  11.423   1.379
   73   2HA   GLY  31          2HA       GLY  31  23.166  11.704   2.431
   74    H    SER  32           H        SER  32  24.523  13.964   0.052
   75    HA   SER  32           HA       SER  32  21.902  14.493  -1.058
   76   1HB   SER  32          1HB       SER  32  23.761  16.166  -1.016
   77   2HB   SER  32          2HB       SER  32  24.622  15.190  -2.206
   78    HG   SER  32           HG       SER  32  23.272  16.961  -3.028
   79    H    ILE  33           H        ILE  33  21.184  13.974  -3.215
   80    HA   ILE  33           HA       ILE  33  22.732  12.010  -4.779
   81    HB   ILE  33           HB       ILE  33  20.811  10.395  -4.805
   82   1HG1  ILE  33          1HG1      ILE  33  19.832  12.183  -2.555
   83   2HG1  ILE  33          2HG1      ILE  33  19.036  11.928  -4.108
   84   1HG2  ILE  33          1HG2      ILE  33  21.420   9.322  -2.766
   85   2HG2  ILE  33          2HG2      ILE  33  21.794  10.857  -1.982
   86   3HG2  ILE  33          3HG2      ILE  33  22.847  10.236  -3.254
   87   1HD1  ILE  33          1HD1      ILE  33  17.920  10.495  -2.546
   88   2HD1  ILE  33          2HD1      ILE  33  19.449   9.915  -1.886
   89   3HD1  ILE  33          3HD1      ILE  33  18.958   9.449  -3.515
   90    H    HIS  34           H        HIS  34  21.114  11.293  -6.704
   91    HA   HIS  34           HA       HIS  34  19.216  13.386  -7.472
   92   1HB   HIS  34          1HB       HIS  34  21.908  13.121  -8.831
   93   2HB   HIS  34          2HB       HIS  34  20.523  13.892  -9.603
   94    HD1  HIS  34           HD1      HIS  34  23.033  14.363  -6.867
   95    HD2  HIS  34           HD2      HIS  34  19.737  16.384  -8.427
   96    HE1  HIS  34           HE1      HIS  34  23.077  16.687  -5.863
   97    H    SER  35           H        SER  35  21.043  10.477  -8.259
   98    HA   SER  35           HA       SER  35  18.675   9.253  -9.423
   99   1HB   SER  35          1HB       SER  35  19.299  10.502 -11.387
  100   2HB   SER  35          2HB       SER  35  20.992  10.044 -11.208
  101    HG   SER  35           HG       SER  35  19.019   8.737 -12.452
  102    H    GLY  36           H        GLY  36  19.446   7.026 -10.466
  103   1HA   GLY  36          1HA       GLY  36  20.725   5.046 -10.257
  104   2HA   GLY  36          2HA       GLY  36  21.933   5.962  -9.357
  105    H    ARG  37           H        ARG  37  22.130   5.168  -7.323
  106    HA   ARG  37           HA       ARG  37  20.150   3.516  -6.062
  107   1HB   ARG  37          1HB       ARG  37  22.509   3.357  -5.441
  108   2HB   ARG  37          2HB       ARG  37  22.497   5.027  -4.875
  109   1HG   ARG  37          1HG       ARG  37  20.989   4.499  -3.084
  110   2HG   ARG  37          2HG       ARG  37  20.665   2.897  -3.747
  111   1HD   ARG  37          1HD       ARG  37  22.861   2.127  -3.218
  112   2HD   ARG  37          2HD       ARG  37  23.437   3.764  -2.904
  113    HE   ARG  37           HE       ARG  37  21.277   3.119  -1.118
  114   1HH1  ARG  37          1HH1      ARG  37  24.594   2.501  -1.827
  115   2HH1  ARG  37          2HH1      ARG  37  25.018   2.151  -0.184
  116   1HH2  ARG  37          1HH2      ARG  37  21.811   2.667   1.031
  117   2HH2  ARG  37          2HH2      ARG  37  23.442   2.245   1.434
  118    H    ILE  38           H        ILE  38  18.750   4.027  -4.294
  119    HA   ILE  38           HA       ILE  38  18.402   6.909  -3.617
  120    HB   ILE  38           HB       ILE  38  16.139   5.126  -4.596
  121   1HG1  ILE  38          1HG1      ILE  38  17.639   7.427  -5.870
  122   2HG1  ILE  38          2HG1      ILE  38  17.532   5.770  -6.460
  123   1HG2  ILE  38          1HG2      ILE  38  15.598   6.898  -2.823
  124   2HG2  ILE  38          2HG2      ILE  38  14.718   7.045  -4.339
  125   3HG2  ILE  38          3HG2      ILE  38  16.087   8.104  -4.014
  126   1HD1  ILE  38          1HD1      ILE  38  14.985   6.155  -6.563
  127   2HD1  ILE  38          2HD1      ILE  38  15.967   6.967  -7.782
  128   3HD1  ILE  38          3HD1      ILE  38  15.361   7.869  -6.393
  129    H    ALA  39           H        ALA  39  18.984   6.548  -1.496
  130    HA   ALA  39           HA       ALA  39  17.586   4.407   0.040
  131   1HB   ALA  39          1HB       ALA  39  19.210   5.187   1.863
  132   2HB   ALA  39          2HB       ALA  39  19.974   6.171   0.615
  133   3HB   ALA  39          3HB       ALA  39  19.932   4.415   0.451
  134    H    ALA  40           H        ALA  40  15.552   5.217   0.515
  135    HA   ALA  40           HA       ALA  40  15.456   7.568   2.323
  136   1HB   ALA  40          1HB       ALA  40  15.018   8.163  -0.199
  137   2HB   ALA  40          2HB       ALA  40  13.943   8.811   1.037
  138   3HB   ALA  40          3HB       ALA  40  13.448   7.414   0.081
  139    H    VAL  41           H        VAL  41  12.866   7.791   2.838
  140    HA   VAL  41           HA       VAL  41  12.218   5.312   4.216
  141    HB   VAL  41           HB       VAL  41  10.620   7.865   3.874
  142   1HG1  VAL  41          1HG1      VAL  41   9.133   6.043   4.472
  143   2HG1  VAL  41          2HG1      VAL  41   9.403   7.038   5.901
  144   3HG1  VAL  41          3HG1      VAL  41  10.247   5.500   5.729
  145   1HG2  VAL  41          1HG2      VAL  41  12.635   8.371   5.068
  146   2HG2  VAL  41          2HG2      VAL  41  12.532   6.878   6.000
  147   3HG2  VAL  41          3HG2      VAL  41  11.382   8.183   6.293
  148    H    HIS  42           H        HIS  42  10.564   3.869   3.710
  149    HA   HIS  42           HA       HIS  42   8.832   4.361   1.361
  150   1HB   HIS  42          1HB       HIS  42  11.031   2.313   1.504
  151   2HB   HIS  42          2HB       HIS  42   9.587   1.962   0.560
  152    HD1  HIS  42           HD1      HIS  42   9.517   2.876  -1.754
  153    HD2  HIS  42           HD2      HIS  42  12.364   4.822   0.580
  154    HE1  HIS  42           HE1      HIS  42  10.786   4.416  -3.307
  155    H    ASN  43           H        ASN  43   6.919   3.160   1.484
  156    HA   ASN  43           HA       ASN  43   6.398   1.784   4.030
  157   1HB   ASN  43          1HB       ASN  43   4.692   2.367   1.591
  158   2HB   ASN  43          2HB       ASN  43   4.098   1.494   3.003
  159   1HD2  ASN  43          1HD2      ASN  43   2.815   3.877   2.452
  160   2HD2  ASN  43          2HD2      ASN  43   3.289   5.075   3.553
  161    H    VAL  44           H        VAL  44   7.593  -0.154   3.960
  162    HA   VAL  44           HA       VAL  44   7.378  -1.878   1.579
  163    HB   VAL  44           HB       VAL  44   9.514  -1.512   2.960
  164   1HG1  VAL  44          1HG1      VAL  44   8.311  -3.669   4.696
  165   2HG1  VAL  44          2HG1      VAL  44   8.311  -1.968   5.162
  166   3HG1  VAL  44          3HG1      VAL  44   9.838  -2.818   4.923
  167   1HG2  VAL  44          1HG2      VAL  44   9.293  -3.252   1.225
  168   2HG2  VAL  44          2HG2      VAL  44   8.585  -4.344   2.416
  169   3HG2  VAL  44          3HG2      VAL  44  10.260  -3.825   2.582
  170    HA   PRO  45           HA       PRO  45   3.648  -3.877   3.219
  171   1HB   PRO  45          1HB       PRO  45   4.752  -6.225   1.717
  172   2HB   PRO  45          2HB       PRO  45   3.103  -5.573   1.727
  173   1HG   PRO  45          1HG       PRO  45   4.753  -5.114  -0.310
  174   2HG   PRO  45          2HG       PRO  45   3.645  -3.862   0.271
  175   1HD   PRO  45          1HD       PRO  45   6.608  -4.081   0.638
  176   2HD   PRO  45          2HD       PRO  45   5.591  -2.634   0.495
  177    H    LEU  46           H        LEU  46   3.210  -5.086   5.023
  178    HA   LEU  46           HA       LEU  46   5.354  -6.028   6.679
  179   1HB   LEU  46          1HB       LEU  46   2.400  -6.660   6.775
  180   2HB   LEU  46          2HB       LEU  46   3.541  -7.009   8.061
  181    HG   LEU  46           HG       LEU  46   3.435  -4.177   7.093
  182   1HD1  LEU  46          1HD1      LEU  46   1.082  -4.678   7.196
  183   2HD1  LEU  46          2HD1      LEU  46   1.508  -3.728   8.622
  184   3HD1  LEU  46          3HD1      LEU  46   1.274  -5.470   8.758
  185   1HD2  LEU  46          1HD2      LEU  46   3.669  -5.492   9.814
  186   2HD2  LEU  46          2HD2      LEU  46   3.658  -3.754   9.552
  187   3HD2  LEU  46          3HD2      LEU  46   4.970  -4.729   8.899
  188    H    SER  47           H        SER  47   3.216  -7.537   4.384
  189    HA   SER  47           HA       SER  47   3.609 -10.257   5.085
  190   1HB   SER  47          1HB       SER  47   2.961 -10.667   2.658
  191   2HB   SER  47          2HB       SER  47   1.829  -9.708   3.608
  192    HG   SER  47           HG       SER  47   3.859  -8.655   1.933
  193    H    VAL  48           H        VAL  48   5.727  -8.116   3.229
  194    HA   VAL  48           HA       VAL  48   7.389 -10.472   2.445
  195    HB   VAL  48           HB       VAL  48   8.422  -9.075   0.820
  196   1HG1  VAL  48          1HG1      VAL  48   6.014  -9.875   0.465
  197   2HG1  VAL  48          2HG1      VAL  48   6.581  -8.573  -0.581
  198   3HG1  VAL  48          3HG1      VAL  48   5.536  -8.210   0.789
  199   1HG2  VAL  48          1HG2      VAL  48   7.030  -6.782   2.219
  200   2HG2  VAL  48          2HG2      VAL  48   7.776  -6.641   0.632
  201   3HG2  VAL  48          3HG2      VAL  48   8.766  -7.027   2.038
  202    H    LEU  49           H        LEU  49   7.351  -9.218   5.229
  203    HA   LEU  49           HA       LEU  49  10.095  -8.119   5.401
  204   1HB   LEU  49          1HB       LEU  49   7.958  -8.639   7.496
  205   2HB   LEU  49          2HB       LEU  49   9.558  -8.014   7.871
  206    HG   LEU  49           HG       LEU  49   7.520  -6.679   6.062
  207   1HD1  LEU  49          1HD1      LEU  49   8.550  -5.935   8.818
  208   2HD1  LEU  49          2HD1      LEU  49   6.973  -6.648   8.488
  209   3HD1  LEU  49          3HD1      LEU  49   7.358  -5.035   7.882
  210   1HD2  LEU  49          1HD2      LEU  49   9.517  -5.867   5.194
  211   2HD2  LEU  49          2HD2      LEU  49  10.396  -6.097   6.705
  212   3HD2  LEU  49          3HD2      LEU  49   9.296  -4.733   6.524
  213    H    ILE  50           H        ILE  50  11.808  -9.287   6.177
  214    HA   ILE  50           HA       ILE  50  11.340 -12.199   6.701
  215    HB   ILE  50           HB       ILE  50  13.873 -10.738   5.913
  216   1HG1  ILE  50          1HG1      ILE  50  12.108 -12.582   4.283
  217   2HG1  ILE  50          2HG1      ILE  50  12.024 -10.823   4.191
  218   1HG2  ILE  50          1HG2      ILE  50  13.200 -13.677   6.236
  219   2HG2  ILE  50          2HG2      ILE  50  14.377 -12.754   7.169
  220   3HG2  ILE  50          3HG2      ILE  50  14.668 -13.081   5.461
  221   1HD1  ILE  50          1HD1      ILE  50  13.472 -11.457   2.424
  222   2HD1  ILE  50          2HD1      ILE  50  14.327 -12.624   3.431
  223   3HD1  ILE  50          3HD1      ILE  50  14.548 -10.895   3.700
  224    H    ARG  51           H        ARG  51  11.359 -12.720   8.805
  225    HA   ARG  51           HA       ARG  51  13.327 -11.388  10.631
  226   1HB   ARG  51          1HB       ARG  51  10.381 -11.911  11.050
  227   2HB   ARG  51          2HB       ARG  51  11.486 -11.662  12.402
  228   1HG   ARG  51          1HG       ARG  51  12.169  -9.507  11.422
  229   2HG   ARG  51          2HG       ARG  51  11.017  -9.733  10.111
  230   1HD   ARG  51          1HD       ARG  51   9.159  -9.725  11.679
  231   2HD   ARG  51          2HD       ARG  51  10.267  -9.678  13.050
  232    HE   ARG  51           HE       ARG  51   9.503  -7.404  11.386
  233   1HH1  ARG  51          1HH1      ARG  51  11.871  -8.841  13.438
  234   2HH1  ARG  51          2HH1      ARG  51  12.572  -7.329  13.911
  235   1HH2  ARG  51          1HH2      ARG  51  10.404  -5.421  11.992
  236   2HH2  ARG  51          2HH2      ARG  51  11.741  -5.393  13.092
  237    HA   PRO  52           HA       PRO  52  13.646 -15.909  11.384
  238   1HB   PRO  52          1HB       PRO  52  16.252 -16.236  10.974
  239   2HB   PRO  52          2HB       PRO  52  15.183 -15.898   9.596
  240   1HG   PRO  52          1HG       PRO  52  17.045 -14.064  11.052
  241   2HG   PRO  52          2HG       PRO  52  16.688 -14.159   9.322
  242   1HD   PRO  52          1HD       PRO  52  15.498 -12.356  11.192
  243   2HD   PRO  52          2HD       PRO  52  14.950 -12.651   9.528
  244    H    LEU  53           H        LEU  53  13.807 -13.553  13.347
  245    HA   LEU  53           HA       LEU  53  15.448 -14.933  15.426
  246   1HB   LEU  53          1HB       LEU  53  16.505 -12.863  14.169
  247   2HB   LEU  53          2HB       LEU  53  15.452 -11.926  15.219
  248    HG   LEU  53           HG       LEU  53  17.290 -14.039  16.376
  249   1HD1  LEU  53          1HD1      LEU  53  18.932 -12.207  16.764
  250   2HD1  LEU  53          2HD1      LEU  53  17.953 -11.148  15.748
  251   3HD1  LEU  53          3HD1      LEU  53  18.726 -12.575  15.050
  252   1HD2  LEU  53          1HD2      LEU  53  16.060 -11.475  17.437
  253   2HD2  LEU  53          2HD2      LEU  53  17.138 -12.530  18.350
  254   3HD2  LEU  53          3HD2      LEU  53  15.556 -13.114  17.843
  255    HA   PRO  54           HA       PRO  54  11.344 -13.854  17.205
  256   1HB   PRO  54          1HB       PRO  54  11.255 -15.732  19.171
  257   2HB   PRO  54          2HB       PRO  54  10.920 -16.120  17.472
  258   1HG   PRO  54          1HG       PRO  54  13.418 -16.549  19.059
  259   2HG   PRO  54          2HG       PRO  54  12.628 -17.625  17.895
  260   1HD   PRO  54          1HD       PRO  54  14.806 -16.045  17.284
  261   2HD   PRO  54          2HD       PRO  54  13.620 -16.577  16.074
  262    H    SER  55           H        SER  55  10.654 -13.086  19.421
  263    HA   SER  55           HA       SER  55  12.827 -12.518  21.338
  264   1HB   SER  55          1HB       SER  55  11.563 -10.450  19.571
  265   2HB   SER  55          2HB       SER  55  12.018  -9.991  21.208
  266    HG   SER  55           HG       SER  55  14.117 -10.945  20.676
  267    H    VAL  56           H        VAL  56  11.921 -11.308  23.262
  268    HA   VAL  56           HA       VAL  56   9.199 -12.338  23.878
  269    HB   VAL  56           HB       VAL  56  11.329 -11.112  25.663
  270   1HG1  VAL  56          1HG1      VAL  56   9.844 -12.104  27.475
  271   2HG1  VAL  56          2HG1      VAL  56   8.610 -12.317  26.233
  272   3HG1  VAL  56          3HG1      VAL  56   9.177 -10.699  26.644
  273   1HG2  VAL  56          1HG2      VAL  56  12.088 -13.257  24.939
  274   2HG2  VAL  56          2HG2      VAL  56  10.474 -13.954  25.081
  275   3HG2  VAL  56          3HG2      VAL  56  11.378 -13.520  26.532
  276    H    LEU  57           H        LEU  57   7.642 -10.902  23.278
  277    HA   LEU  57           HA       LEU  57   8.170  -8.010  23.314
  278   1HB   LEU  57          1HB       LEU  57   5.667  -9.521  22.583
  279   2HB   LEU  57          2HB       LEU  57   5.950  -7.811  22.306
  280    HG   LEU  57           HG       LEU  57   7.687 -10.023  21.158
  281   1HD1  LEU  57          1HD1      LEU  57   5.322  -8.508  20.025
  282   2HD1  LEU  57          2HD1      LEU  57   5.555 -10.255  20.109
  283   3HD1  LEU  57          3HD1      LEU  57   6.519  -9.290  18.990
  284   1HD2  LEU  57          1HD2      LEU  57   8.209  -7.972  19.579
  285   2HD2  LEU  57          2HD2      LEU  57   9.013  -8.105  21.138
  286   3HD2  LEU  57          3HD2      LEU  57   7.639  -7.018  20.949
  287    H    ASP  58           H        ASP  58   7.108  -6.543  24.556
  288    HA   ASP  58           HA       ASP  58   5.921  -7.546  27.078
  289   1HB   ASP  58          1HB       ASP  58   7.655  -5.981  27.457
  290   2HB   ASP  58          2HB       ASP  58   7.129  -4.942  26.158
  291    HA   PRO  59           HA       PRO  59   1.968  -6.382  25.218
  292   1HB   PRO  59          1HB       PRO  59   0.315  -6.821  27.328
  293   2HB   PRO  59          2HB       PRO  59   1.091  -8.150  26.444
  294   1HG   PRO  59          1HG       PRO  59   1.890  -6.881  29.038
  295   2HG   PRO  59          2HG       PRO  59   1.806  -8.595  28.611
  296   1HD   PRO  59          1HD       PRO  59   4.159  -7.170  28.594
  297   2HD   PRO  59          2HD       PRO  59   3.866  -8.560  27.527
  298    H    ALA  60           H        ALA  60   3.341  -4.730  27.941
  299    HA   ALA  60           HA       ALA  60   1.221  -2.686  28.040
  300   1HB   ALA  60          1HB       ALA  60   2.384  -1.805  29.900
  301   2HB   ALA  60          2HB       ALA  60   3.914  -2.527  29.397
  302   3HB   ALA  60          3HB       ALA  60   2.623  -3.548  30.031
  303    H    LYS  61           H        LYS  61   4.621  -2.908  26.995
  304    HA   LYS  61           HA       LYS  61   4.767  -0.164  26.159
  305   1HB   LYS  61          1HB       LYS  61   6.595  -2.228  26.523
  306   2HB   LYS  61          2HB       LYS  61   6.587  -2.047  24.777
  307   1HG   LYS  61          1HG       LYS  61   6.939   0.432  25.118
  308   2HG   LYS  61          2HG       LYS  61   7.146   0.092  26.836
  309   1HD   LYS  61          1HD       LYS  61   8.803  -1.151  24.617
  310   2HD   LYS  61          2HD       LYS  61   9.322   0.211  25.607
  311   1HE   LYS  61          1HE       LYS  61   8.797  -1.370  27.626
  312   2HE   LYS  61          2HE       LYS  61   8.888  -2.656  26.421
  313   1HZ   LYS  61          1HZ       LYS  61  11.092  -2.288  26.052
  314   2HZ   LYS  61          2HZ       LYS  61  11.006  -1.858  27.693
  315   3HZ   LYS  61          3HZ       LYS  61  11.024  -0.652  26.496
  316    H    VAL  62           H        VAL  62   3.744  -3.143  24.562
  317    HA   VAL  62           HA       VAL  62   3.766  -2.065  21.882
  318    HB   VAL  62           HB       VAL  62   2.220  -4.356  23.137
  319   1HG1  VAL  62          1HG1      VAL  62   0.891  -3.677  21.276
  320   2HG1  VAL  62          2HG1      VAL  62   1.881  -5.008  20.676
  321   3HG1  VAL  62          3HG1      VAL  62   2.313  -3.342  20.288
  322   1HG2  VAL  62          1HG2      VAL  62   4.514  -4.380  21.156
  323   2HG2  VAL  62          2HG2      VAL  62   3.843  -5.756  22.032
  324   3HG2  VAL  62          3HG2      VAL  62   4.738  -4.510  22.899
  325    H    GLN  63           H        GLN  63   1.377  -2.103  24.501
  326    HA   GLN  63           HA       GLN  63  -0.800  -1.098  22.917
  327   1HB   GLN  63          1HB       GLN  63  -0.193  -1.237  25.858
  328   2HB   GLN  63          2HB       GLN  63  -1.526  -0.213  25.329
  329   1HG   GLN  63          1HG       GLN  63  -1.328  -3.058  24.335
  330   2HG   GLN  63          2HG       GLN  63  -1.999  -2.726  25.930
  331   1HE2  GLN  63          1HE2      GLN  63  -3.625  -0.614  25.713
  332   2HE2  GLN  63          2HE2      GLN  63  -4.784  -0.798  24.486
  333    H    SER  64           H        SER  64   1.784   0.468  24.771
  334    HA   SER  64           HA       SER  64   0.835   3.150  24.534
  335   1HB   SER  64          1HB       SER  64   2.726   2.406  26.011
  336   2HB   SER  64          2HB       SER  64   3.726   2.231  24.569
  337    HG   SER  64           HG       SER  64   4.142   4.255  24.981
  338    H    LEU  65           H        LEU  65   2.767   1.119  22.361
  339    HA   LEU  65           HA       LEU  65   3.267   3.244  20.455
  340   1HB   LEU  65          1HB       LEU  65   3.688   0.291  20.627
  341   2HB   LEU  65          2HB       LEU  65   3.619   0.964  19.007
  342    HG   LEU  65           HG       LEU  65   5.359   2.275  21.098
  343   1HD1  LEU  65          1HD1      LEU  65   6.168   0.058  21.260
  344   2HD1  LEU  65          2HD1      LEU  65   7.239   0.825  20.088
  345   3HD1  LEU  65          3HD1      LEU  65   5.946  -0.240  19.537
  346   1HD2  LEU  65          1HD2      LEU  65   5.457   2.031  18.074
  347   2HD2  LEU  65          2HD2      LEU  65   6.705   2.811  19.044
  348   3HD2  LEU  65          3HD2      LEU  65   5.074   3.477  19.007
  349    H    VAL  66           H        VAL  66   0.975   0.517  20.619
  350    HA   VAL  66           HA       VAL  66  -0.394   0.982  18.190
  351    HB   VAL  66           HB       VAL  66  -1.220  -0.141  20.869
  352   1HG1  VAL  66          1HG1      VAL  66  -3.280  -0.994  19.619
  353   2HG1  VAL  66          2HG1      VAL  66  -2.932   0.250  18.419
  354   3HG1  VAL  66          3HG1      VAL  66  -3.290   0.706  20.084
  355   1HG2  VAL  66          1HG2      VAL  66  -0.742  -1.327  18.125
  356   2HG2  VAL  66          2HG2      VAL  66  -1.330  -2.244  19.511
  357   3HG2  VAL  66          3HG2      VAL  66   0.277  -1.518  19.553
  358    H    ASP  67           H        ASP  67  -0.521   2.618  21.280
  359    HA   ASP  67           HA       ASP  67  -2.930   4.154  20.690
  360   1HB   ASP  67          1HB       ASP  67  -1.873   3.608  23.010
  361   2HB   ASP  67          2HB       ASP  67  -0.811   4.971  22.687
  362    H    THR  68           H        THR  68   0.563   4.706  20.462
  363    HA   THR  68           HA       THR  68   0.426   7.481  19.774
  364    HB   THR  68           HB       THR  68   2.533   5.556  18.774
  365    HG1  THR  68           HG1      THR  68   1.892   6.379  21.348
  366   1HG2  THR  68          1HG2      THR  68   2.552   7.963  18.055
  367   2HG2  THR  68          2HG2      THR  68   3.985   7.480  18.962
  368   3HG2  THR  68          3HG2      THR  68   2.715   8.414  19.752
  369    H    ILE  69           H        ILE  69   0.733   4.584  17.713
  370    HA   ILE  69           HA       ILE  69   0.602   5.921  15.216
  371    HB   ILE  69           HB       ILE  69  -0.457   3.159  15.900
  372   1HG1  ILE  69          1HG1      ILE  69   2.318   4.176  15.222
  373   2HG1  ILE  69          2HG1      ILE  69   1.823   3.309  16.670
  374   1HG2  ILE  69          1HG2      ILE  69  -0.137   2.657  13.559
  375   2HG2  ILE  69          2HG2      ILE  69   0.667   4.200  13.279
  376   3HG2  ILE  69          3HG2      ILE  69  -1.059   4.156  13.627
  377   1HD1  ILE  69          1HD1      ILE  69   2.942   1.716  15.277
  378   2HD1  ILE  69          2HD1      ILE  69   2.026   2.217  13.857
  379   3HD1  ILE  69          3HD1      ILE  69   1.221   1.355  15.167
  380    H    ARG  70           H        ARG  70  -1.982   4.692  17.324
  381    HA   ARG  70           HA       ARG  70  -4.095   5.450  15.468
  382   1HB   ARG  70          1HB       ARG  70  -3.923   4.284  18.213
  383   2HB   ARG  70          2HB       ARG  70  -5.417   5.113  17.820
  384   1HG   ARG  70          1HG       ARG  70  -5.731   3.692  15.858
  385   2HG   ARG  70          2HG       ARG  70  -4.172   2.919  16.138
  386   1HD   ARG  70          1HD       ARG  70  -4.953   1.992  18.245
  387   2HD   ARG  70          2HD       ARG  70  -6.470   2.881  18.116
  388    HE   ARG  70           HE       ARG  70  -5.811   0.407  16.714
  389   1HH1  ARG  70          1HH1      ARG  70  -7.642   3.327  16.755
  390   2HH1  ARG  70          2HH1      ARG  70  -8.908   2.704  15.750
  391   1HH2  ARG  70          1HH2      ARG  70  -7.453  -0.424  15.402
  392   2HH2  ARG  70          2HH2      ARG  70  -8.800   0.580  14.984
  393    H    GLU  71           H        GLU  71  -2.506   7.010  18.217
  394    HA   GLU  71           HA       GLU  71  -4.491   9.186  18.268
  395   1HB   GLU  71          1HB       GLU  71  -3.352   8.327  20.343
  396   2HB   GLU  71          2HB       GLU  71  -1.842   8.996  19.728
  397   1HG   GLU  71          1HG       GLU  71  -2.875  11.238  19.640
  398   2HG   GLU  71          2HG       GLU  71  -4.381  10.567  20.265
  399    H    ASP  72           H        ASP  72  -1.165   8.656  17.170
  400    HA   ASP  72           HA       ASP  72  -1.392  11.016  15.421
  401   1HB   ASP  72          1HB       ASP  72  -0.542  11.807  17.685
  402   2HB   ASP  72          2HB       ASP  72   0.906  10.851  17.370
  403    HA   PRO  73           HA       PRO  73   1.086   7.560  13.619
  404   1HB   PRO  73          1HB       PRO  73   0.332   7.902  11.011
  405   2HB   PRO  73          2HB       PRO  73  -0.643   7.010  12.194
  406   1HG   PRO  73          1HG       PRO  73  -0.949   9.817  11.213
  407   2HG   PRO  73          2HG       PRO  73  -2.191   8.594  11.526
  408   1HD   PRO  73          1HD       PRO  73  -1.617  10.625  13.270
  409   2HD   PRO  73          2HD       PRO  73  -2.250   9.055  13.802
  410    H    ASP  74           H        ASP  74   1.181  10.969  13.057
  411    HA   ASP  74           HA       ASP  74   3.555  10.792  11.290
  412   1HB   ASP  74          1HB       ASP  74   3.370  13.218  11.142
  413   2HB   ASP  74          2HB       ASP  74   1.783  12.500  10.866
  414    H    SER  75           H        SER  75   3.064  10.498  14.527
  415    HA   SER  75           HA       SER  75   5.524  12.028  15.305
  416   1HB   SER  75          1HB       SER  75   3.318  12.358  16.555
  417   2HB   SER  75          2HB       SER  75   3.522  10.712  17.155
  418    HG   SER  75           HG       SER  75   5.823  11.994  17.444
  419    H    VAL  76           H        VAL  76   5.173   9.230  13.963
  420    HA   VAL  76           HA       VAL  76   6.853   7.715  15.929
  421    HB   VAL  76           HB       VAL  76   5.153   6.344  13.848
  422   1HG1  VAL  76          1HG1      VAL  76   6.881   5.176  15.373
  423   2HG1  VAL  76          2HG1      VAL  76   5.257   4.491  15.328
  424   3HG1  VAL  76          3HG1      VAL  76   5.749   5.494  16.692
  425   1HG2  VAL  76          1HG2      VAL  76   4.226   7.542  16.463
  426   2HG2  VAL  76          2HG2      VAL  76   3.382   6.199  15.696
  427   3HG2  VAL  76          3HG2      VAL  76   3.519   7.745  14.861
  428    HA   PRO  77           HA       PRO  77   9.499   8.218  12.265
  429   1HB   PRO  77          1HB       PRO  77  11.866   7.365  13.366
  430   2HB   PRO  77          2HB       PRO  77  11.188   8.979  13.627
  431   1HG   PRO  77          1HG       PRO  77  11.167   6.585  15.406
  432   2HG   PRO  77          2HG       PRO  77  11.324   8.297  15.826
  433   1HD   PRO  77          1HD       PRO  77   8.971   6.816  16.053
  434   2HD   PRO  77          2HD       PRO  77   9.032   8.588  15.941
  435    HA   PRO  78           HA       PRO  78   9.743   4.111  10.569
  436   1HB   PRO  78          1HB       PRO  78  11.696   4.372   8.698
  437   2HB   PRO  78          2HB       PRO  78  10.129   5.181   8.547
  438   1HG   PRO  78          1HG       PRO  78  12.750   6.282   9.479
  439   2HG   PRO  78          2HG       PRO  78  11.552   7.008   8.398
  440   1HD   PRO  78          1HD       PRO  78  11.763   7.647  11.069
  441   2HD   PRO  78          2HD       PRO  78  10.249   7.775  10.159
  442    H    ILE  79           H        ILE  79  11.305   2.273  10.121
  443    HA   ILE  79           HA       ILE  79  13.466   2.216  12.208
  444    HB   ILE  79           HB       ILE  79  13.169  -0.321  11.909
  445   1HG1  ILE  79          1HG1      ILE  79  10.493   0.502  10.760
  446   2HG1  ILE  79          2HG1      ILE  79  11.854   0.083   9.719
  447   1HG2  ILE  79          1HG2      ILE  79  12.337   0.547  13.926
  448   2HG2  ILE  79          2HG2      ILE  79  10.905  -0.201  13.223
  449   3HG2  ILE  79          3HG2      ILE  79  11.128   1.543  13.117
  450   1HD1  ILE  79          1HD1      ILE  79  10.477  -1.898  10.093
  451   2HD1  ILE  79          2HD1      ILE  79  10.607  -1.688  11.839
  452   3HD1  ILE  79          3HD1      ILE  79  12.036  -2.104  10.893
  453    H    ASP  80           H        ASP  80  15.331   0.737  11.597
  454    HA   ASP  80           HA       ASP  80  16.192   1.390   8.837
  455   1HB   ASP  80          1HB       ASP  80  17.654   1.669  10.950
  456   2HB   ASP  80          2HB       ASP  80  17.811  -0.087  10.923
  457    H    VAL  81           H        VAL  81  16.425  -0.158   7.250
  458    HA   VAL  81           HA       VAL  81  16.103  -3.035   7.991
  459    HB   VAL  81           HB       VAL  81  14.413  -1.413   6.077
  460   1HG1  VAL  81          1HG1      VAL  81  13.469  -3.653   5.342
  461   2HG1  VAL  81          2HG1      VAL  81  14.890  -4.403   6.062
  462   3HG1  VAL  81          3HG1      VAL  81  15.074  -3.279   4.716
  463   1HG2  VAL  81          1HG2      VAL  81  13.836  -3.399   8.294
  464   2HG2  VAL  81          2HG2      VAL  81  12.600  -2.669   7.269
  465   3HG2  VAL  81          3HG2      VAL  81  13.566  -1.657   8.342
  466    H    LEU  82           H        LEU  82  17.350  -4.396   6.780
  467    HA   LEU  82           HA       LEU  82  19.288  -3.153   4.936
  468   1HB   LEU  82          1HB       LEU  82  19.044  -6.060   5.755
  469   2HB   LEU  82          2HB       LEU  82  20.438  -5.288   5.008
  470    HG   LEU  82           HG       LEU  82  19.331  -4.380   7.680
  471   1HD1  LEU  82          1HD1      LEU  82  21.009  -5.758   8.763
  472   2HD1  LEU  82          2HD1      LEU  82  21.602  -6.326   7.202
  473   3HD1  LEU  82          3HD1      LEU  82  19.994  -6.791   7.757
  474   1HD2  LEU  82          1HD2      LEU  82  21.944  -3.985   6.200
  475   2HD2  LEU  82          2HD2      LEU  82  21.734  -3.587   7.903
  476   3HD2  LEU  82          3HD2      LEU  82  20.783  -2.748   6.681
  477    H    TRP  83           H        TRP  83  19.189  -3.314   2.762
  478    HA   TRP  83           HA       TRP  83  17.031  -5.006   1.544
  479   1HB   TRP  83          1HB       TRP  83  16.639  -2.646   1.233
  480   2HB   TRP  83          2HB       TRP  83  18.295  -2.379   0.751
  481    HD1  TRP  83           HD1      TRP  83  16.489  -5.384  -0.748
  482    HE1  TRP  83           HE1      TRP  83  16.039  -4.908  -3.247
  483    HE3  TRP  83           HE3      TRP  83  17.842  -0.459  -0.968
  484    HZ2  TRP  83           HZ2      TRP  83  16.231  -2.721  -5.084
  485    HZ3  TRP  83           HZ3      TRP  83  17.702   0.788  -3.099
  486    HH2  TRP  83           HH2      TRP  83  16.906  -0.336  -5.157
  487    H    ILE  84           H        ILE  84  17.971  -6.829   0.710
  488    HA   ILE  84           HA       ILE  84  20.547  -6.529  -0.811
  489    HB   ILE  84           HB       ILE  84  19.759  -8.941   0.848
  490   1HG1  ILE  84          1HG1      ILE  84  21.607  -6.627   1.507
  491   2HG1  ILE  84          2HG1      ILE  84  20.112  -7.037   2.346
  492   1HG2  ILE  84          1HG2      ILE  84  21.382  -9.160  -1.121
  493   2HG2  ILE  84          2HG2      ILE  84  22.000  -9.680   0.446
  494   3HG2  ILE  84          3HG2      ILE  84  22.471  -8.112  -0.211
  495   1HD1  ILE  84          1HD1      ILE  84  21.872  -7.951   3.675
  496   2HD1  ILE  84          2HD1      ILE  84  22.687  -8.620   2.262
  497   3HD1  ILE  84          3HD1      ILE  84  21.164  -9.318   2.814
  498    H    LYS  85           H        LYS  85  20.696  -7.711  -2.704
  499    HA   LYS  85           HA       LYS  85  18.158  -8.929  -3.694
  500   1HB   LYS  85          1HB       LYS  85  20.017  -7.038  -4.773
  501   2HB   LYS  85          2HB       LYS  85  20.164  -8.485  -5.763
  502   1HG   LYS  85          1HG       LYS  85  17.835  -8.452  -6.308
  503   2HG   LYS  85          2HG       LYS  85  17.497  -7.225  -5.098
  504   1HD   LYS  85          1HD       LYS  85  19.137  -5.724  -6.416
  505   2HD   LYS  85          2HD       LYS  85  18.976  -6.908  -7.709
  506   1HE   LYS  85          1HE       LYS  85  17.362  -5.101  -8.037
  507   2HE   LYS  85          2HE       LYS  85  16.502  -6.586  -7.639
  508   1HZ   LYS  85          1HZ       LYS  85  16.407  -5.842  -5.333
  509   2HZ   LYS  85          2HZ       LYS  85  15.657  -4.726  -6.369
  510   3HZ   LYS  85          3HZ       LYS  85  17.207  -4.409  -5.750
  511    H    GLY  86           H        GLY  86  18.324 -10.885  -4.986
  512   1HA   GLY  86          1HA       GLY  86  20.474 -12.679  -3.981
  513   2HA   GLY  86          2HA       GLY  86  18.941 -13.200  -4.672
  514    H    ALA  87           H        ALA  87  20.541 -14.615  -5.860
  515    HA   ALA  87           HA       ALA  87  22.241 -13.469  -7.888
  516   1HB   ALA  87          1HB       ALA  87  22.105 -15.909  -8.787
  517   2HB   ALA  87          2HB       ALA  87  21.176 -16.233  -7.322
  518   3HB   ALA  87          3HB       ALA  87  22.832 -15.642  -7.203
  519    H    GLN  88           H        GLN  88  18.850 -13.709  -7.757
  520    HA   GLN  88           HA       GLN  88  18.683 -13.504 -10.751
  521   1HB   GLN  88          1HB       GLN  88  16.618 -14.735  -8.907
  522   2HB   GLN  88          2HB       GLN  88  16.550 -14.660 -10.670
  523   1HG   GLN  88          1HG       GLN  88  18.645 -15.988 -10.784
  524   2HG   GLN  88          2HG       GLN  88  18.644 -16.111  -9.027
  525   1HE2  GLN  88          1HE2      GLN  88  18.556 -18.556  -9.789
  526   2HE2  GLN  88          2HE2      GLN  88  17.001 -19.212  -9.942
  527    H    GLY  89           H        GLY  89  18.850 -11.413  -8.562
  528   1HA   GLY  89          1HA       GLY  89  17.979  -9.222  -8.506
  529   2HA   GLY  89          2HA       GLY  89  16.754  -9.706  -9.665
  530    H    GLY  90           H        GLY  90  16.307 -12.032  -7.537
  531   1HA   GLY  90          1HA       GLY  90  13.919 -11.098  -6.455
  532   2HA   GLY  90          2HA       GLY  90  14.868 -12.386  -5.728
  533    H    ASP  91           H        ASP  91  13.710  -9.285  -5.280
  534    HA   ASP  91           HA       ASP  91  15.829  -8.272  -3.563
  535   1HB   ASP  91          1HB       ASP  91  12.945  -7.403  -3.900
  536   2HB   ASP  91          2HB       ASP  91  14.145  -6.540  -2.965
  537    H    TYR  92           H        TYR  92  16.031  -8.610  -1.395
  538    HA   TYR  92           HA       TYR  92  13.787  -9.966   0.071
  539   1HB   TYR  92          1HB       TYR  92  16.764 -10.537   0.287
  540   2HB   TYR  92          2HB       TYR  92  15.512 -11.265   1.293
  541    HD1  TYR  92           HD1      TYR  92  13.869 -12.845   0.318
  542    HD2  TYR  92           HD2      TYR  92  17.053 -11.189  -2.042
  543    HE1  TYR  92           HE1      TYR  92  13.467 -14.557  -1.424
  544    HE2  TYR  92           HE2      TYR  92  16.649 -12.903  -3.781
  545    HH   TYR  92           HH       TYR  92  15.633 -14.935  -4.160
  546    H    PHE  93           H        PHE  93  13.161  -8.741   1.789
  547    HA   PHE  93           HA       PHE  93  14.974  -6.585   2.735
  548   1HB   PHE  93          1HB       PHE  93  12.016  -7.027   3.266
  549   2HB   PHE  93          2HB       PHE  93  12.952  -5.606   3.697
  550    HD1  PHE  93           HD1      PHE  93  11.058  -7.232   1.099
  551    HD2  PHE  93           HD2      PHE  93  14.068  -4.246   1.812
  552    HE1  PHE  93           HE1      PHE  93  10.668  -6.296  -1.159
  553    HE2  PHE  93           HE2      PHE  93  13.672  -3.320  -0.449
  554    HZ   PHE  93           HZ       PHE  93  11.979  -4.338  -1.935
  555    H    TYR  94           H        TYR  94  16.081  -6.905   4.538
  556    HA   TYR  94           HA       TYR  94  15.158  -8.935   6.531
  557   1HB   TYR  94          1HB       TYR  94  17.821  -8.042   5.506
  558   2HB   TYR  94          2HB       TYR  94  17.748  -8.450   7.218
  559    HD1  TYR  94           HD1      TYR  94  17.377 -10.694   7.967
  560    HD2  TYR  94           HD2      TYR  94  17.288  -9.731   3.785
  561    HE1  TYR  94           HE1      TYR  94  17.441 -13.109   7.402
  562    HE2  TYR  94           HE2      TYR  94  17.357 -12.140   3.225
  563    HH   TYR  94           HH       TYR  94  17.046 -14.242   4.098
  564    H    SER  95           H        SER  95  14.575  -8.216   8.519
  565    HA   SER  95           HA       SER  95  15.356  -5.419   9.308
  566   1HB   SER  95          1HB       SER  95  12.824  -6.094   8.747
  567   2HB   SER  95          2HB       SER  95  12.863  -6.646  10.413
  568    HG   SER  95           HG       SER  95  12.888  -4.671  11.064
  569    H    PHE  96           H        PHE  96  16.415  -5.287  11.199
  570    HA   PHE  96           HA       PHE  96  16.275  -7.567  13.142
  571   1HB   PHE  96          1HB       PHE  96  18.690  -6.036  12.149
  572   2HB   PHE  96          2HB       PHE  96  18.682  -6.945  13.660
  573    HD1  PHE  96           HD1      PHE  96  19.176  -7.153  10.141
  574    HD2  PHE  96           HD2      PHE  96  17.868  -9.417  13.527
  575    HE1  PHE  96           HE1      PHE  96  19.635  -9.244   8.908
  576    HE2  PHE  96           HE2      PHE  96  18.310 -11.523  12.295
  577    HZ   PHE  96           HZ       PHE  96  19.194 -11.435   9.980
  578    H    GLY  97           H        GLY  97  14.777  -6.287  14.311
  579   1HA   GLY  97          1HA       GLY  97  15.170  -4.932  16.501
  580   2HA   GLY  97          2HA       GLY  97  15.705  -3.669  15.392
  581    H    GLY  98           H        GLY  98  13.850  -2.396  16.253
  582   1HA   GLY  98          1HA       GLY  98  11.601  -1.657  16.181
  583   2HA   GLY  98          2HA       GLY  98  11.711  -2.185  14.507
  584    H    CYS  99           H        CYS  99  12.068  -4.529  17.078
  585    HA   CYS  99           HA       CYS  99  10.024  -6.205  16.004
  586   1HB   CYS  99          1HB       CYS  99  10.908  -6.397  18.877
  587   2HB   CYS  99          2HB       CYS  99  10.554  -7.692  17.732
  588    HG   CYS  99           HG       CYS  99  13.042  -5.902  17.191
  589    H    HIS 100           H        HIS 100   9.997  -4.367  19.097
  590    HA   HIS 100           HA       HIS 100   7.288  -4.886  19.719
  591   1HB   HIS 100          1HB       HIS 100   9.190  -2.656  20.420
  592   2HB   HIS 100          2HB       HIS 100   7.506  -2.560  20.928
  593    HD1  HIS 100           HD1      HIS 100  10.418  -5.027  21.127
  594    HD2  HIS 100           HD2      HIS 100   6.998  -3.975  23.274
  595    HE1  HIS 100           HE1      HIS 100  10.443  -6.417  23.247
  596    H    ARG 101           H        ARG 101   8.691  -2.402  17.605
  597    HA   ARG 101           HA       ARG 101   6.193  -1.007  17.219
  598   1HB   ARG 101          1HB       ARG 101   8.756  -1.080  15.613
  599   2HB   ARG 101          2HB       ARG 101   7.370  -0.094  15.151
  600   1HG   ARG 101          1HG       ARG 101   7.432   0.956  17.430
  601   2HG   ARG 101          2HG       ARG 101   8.903   0.048  17.768
  602   1HD   ARG 101          1HD       ARG 101   8.748   1.785  15.311
  603   2HD   ARG 101          2HD       ARG 101   9.093   2.506  16.881
  604    HE   ARG 101           HE       ARG 101  10.773   0.191  16.217
  605   1HH1  ARG 101          1HH1      ARG 101  10.290   3.606  16.103
  606   2HH1  ARG 101          2HH1      ARG 101  11.978   3.973  15.977
  607   1HH2  ARG 101          1HH2      ARG 101  12.980   0.655  16.057
  608   2HH2  ARG 101          2HH2      ARG 101  13.499   2.304  15.951
  609    H    TYR 102           H        TYR 102   7.667  -3.823  15.694
  610    HA   TYR 102           HA       TYR 102   5.943  -3.905  13.396
  611   1HB   TYR 102          1HB       TYR 102   7.907  -5.278  13.353
  612   2HB   TYR 102          2HB       TYR 102   7.501  -6.033  14.889
  613    HD1  TYR 102           HD1      TYR 102   6.876  -6.033  11.272
  614    HD2  TYR 102           HD2      TYR 102   5.659  -7.639  15.061
  615    HE1  TYR 102           HE1      TYR 102   5.646  -7.849  10.109
  616    HE2  TYR 102           HE2      TYR 102   4.423  -9.445  13.905
  617    HH   TYR 102           HH       TYR 102   4.645  -9.874  10.409
  618    H    ALA 103           H        ALA 103   5.715  -5.303  16.659
  619    HA   ALA 103           HA       ALA 103   3.292  -6.748  16.316
  620   1HB   ALA 103          1HB       ALA 103   4.494  -5.369  18.725
  621   2HB   ALA 103          2HB       ALA 103   4.528  -7.089  18.336
  622   3HB   ALA 103          3HB       ALA 103   3.013  -6.323  18.818
  623    H    ALA 104           H        ALA 104   3.821  -3.358  17.313
  624    HA   ALA 104           HA       ALA 104   1.088  -2.719  17.730
  625   1HB   ALA 104          1HB       ALA 104   1.876  -0.335  17.125
  626   2HB   ALA 104          2HB       ALA 104   3.474  -1.053  16.922
  627   3HB   ALA 104          3HB       ALA 104   2.669  -1.120  18.490
  628    H    TYR 105           H        TYR 105   3.072  -2.518  14.771
  629    HA   TYR 105           HA       TYR 105   0.942  -1.484  13.134
  630   1HB   TYR 105          1HB       TYR 105   3.668  -2.643  12.720
  631   2HB   TYR 105          2HB       TYR 105   2.582  -2.711  11.342
  632    HD1  TYR 105           HD1      TYR 105   1.917  -0.726  10.158
  633    HD2  TYR 105           HD2      TYR 105   4.290  -0.452  13.724
  634    HE1  TYR 105           HE1      TYR 105   2.361   1.664   9.675
  635    HE2  TYR 105           HE2      TYR 105   4.740   1.939  13.242
  636    HH   TYR 105           HH       TYR 105   3.019   3.680  10.829
  637    H    GLN 106           H        GLN 106   2.164  -4.766  13.784
  638    HA   GLN 106           HA       GLN 106   0.466  -6.145  11.976
  639   1HB   GLN 106          1HB       GLN 106   2.449  -7.107  13.194
  640   2HB   GLN 106          2HB       GLN 106   1.474  -7.129  14.661
  641   1HG   GLN 106          1HG       GLN 106   0.505  -8.456  12.131
  642   2HG   GLN 106          2HG       GLN 106   1.587  -9.301  13.228
  643   1HE2  GLN 106          1HE2      GLN 106   0.744  -9.671  15.509
  644   2HE2  GLN 106          2HE2      GLN 106  -0.928  -9.668  15.777
  645    H    GLN 107           H        GLN 107   0.043  -5.370  15.435
  646    HA   GLN 107           HA       GLN 107  -2.489  -6.582  15.788
  647   1HB   GLN 107          1HB       GLN 107  -1.174  -5.761  17.677
  648   2HB   GLN 107          2HB       GLN 107  -1.336  -4.102  17.102
  649   1HG   GLN 107          1HG       GLN 107  -3.614  -3.990  17.648
  650   2HG   GLN 107          2HG       GLN 107  -3.808  -5.741  17.633
  651   1HE2  GLN 107          1HE2      GLN 107  -4.613  -5.908  19.811
  652   2HE2  GLN 107          2HE2      GLN 107  -3.650  -5.565  21.166
  653    H    LEU 108           H        LEU 108  -1.664  -3.295  14.668
  654    HA   LEU 108           HA       LEU 108  -4.443  -2.491  14.427
  655   1HB   LEU 108          1HB       LEU 108  -1.891  -1.352  13.261
  656   2HB   LEU 108          2HB       LEU 108  -3.469  -0.586  13.091
  657    HG   LEU 108           HG       LEU 108  -2.186  -1.278  15.756
  658   1HD1  LEU 108          1HD1      LEU 108  -1.496   0.984  15.960
  659   2HD1  LEU 108          2HD1      LEU 108  -2.471   1.490  14.578
  660   3HD1  LEU 108          3HD1      LEU 108  -1.020   0.520  14.326
  661   1HD2  LEU 108          1HD2      LEU 108  -3.993   0.599  16.374
  662   2HD2  LEU 108          2HD2      LEU 108  -4.440  -1.098  16.270
  663   3HD2  LEU 108          3HD2      LEU 108  -4.781  -0.015  14.922
  664    H    GLN 109           H        GLN 109  -2.963  -4.866  12.862
  665    HA   GLN 109           HA       GLN 109  -3.149  -5.840  10.730
  666   1HB   GLN 109          1HB       GLN 109  -5.524  -5.806  11.776
  667   2HB   GLN 109          2HB       GLN 109  -5.857  -4.505  10.634
  668   1HG   GLN 109          1HG       GLN 109  -6.524  -6.495   9.511
  669   2HG   GLN 109          2HG       GLN 109  -4.954  -6.089   8.819
  670   1HE2  GLN 109          1HE2      GLN 109  -5.669  -8.739   8.602
  671   2HE2  GLN 109          2HE2      GLN 109  -4.802  -9.694   9.707
  672    H    ARG 110           H        ARG 110  -1.813  -3.321  10.622
  673    HA   ARG 110           HA       ARG 110  -2.958  -1.692   8.507
  674   1HB   ARG 110          1HB       ARG 110  -0.183  -1.854   9.709
  675   2HB   ARG 110          2HB       ARG 110  -0.628  -0.687   8.468
  676   1HG   ARG 110          1HG       ARG 110  -2.283  -0.908  10.990
  677   2HG   ARG 110          2HG       ARG 110  -0.777   0.002  11.010
  678   1HD   ARG 110          1HD       ARG 110  -1.618   1.336   9.054
  679   2HD   ARG 110          2HD       ARG 110  -3.165   0.505   9.208
  680    HE   ARG 110           HE       ARG 110  -2.145   2.589  10.994
  681   1HH1  ARG 110          1HH1      ARG 110  -4.255  -0.097  10.526
  682   2HH1  ARG 110          2HH1      ARG 110  -5.363   0.387  11.766
  683   1HH2  ARG 110          1HH2      ARG 110  -3.579   3.237  12.617
  684   2HH2  ARG 110          2HH2      ARG 110  -4.980   2.275  12.950
  685    H    GLU 111           H        GLU 111  -1.965  -1.483   6.369
  686    HA   GLU 111           HA       GLU 111  -1.418  -4.131   5.232
  687   1HB   GLU 111          1HB       GLU 111  -1.889  -1.376   4.105
  688   2HB   GLU 111          2HB       GLU 111  -1.209  -2.632   3.071
  689   1HG   GLU 111          1HG       GLU 111  -3.133  -4.104   3.630
  690   2HG   GLU 111          2HG       GLU 111  -3.827  -2.804   4.598
  691    H    THR 112           H        THR 112   0.418  -1.066   5.610
  692    HA   THR 112           HA       THR 112   2.925  -2.656   5.097
  693    HB   THR 112           HB       THR 112   3.806  -0.596   3.948
  694    HG1  THR 112           HG1      THR 112   2.393   0.923   4.714
  695   1HG2  THR 112          1HG2      THR 112   1.813  -2.490   2.930
  696   2HG2  THR 112          2HG2      THR 112   3.268  -1.871   2.149
  697   3HG2  THR 112          3HG2      THR 112   1.768  -0.957   2.060
  698    H    ILE 113           H        ILE 113   4.883  -1.166   5.720
  699    HA   ILE 113           HA       ILE 113   4.249   0.478   8.124
  700    HB   ILE 113           HB       ILE 113   4.817  -1.881   8.826
  701   1HG1  ILE 113          1HG1      ILE 113   6.842   0.204   9.678
  702   2HG1  ILE 113          2HG1      ILE 113   5.170   0.192  10.239
  703   1HG2  ILE 113          1HG2      ILE 113   6.593  -2.066   6.945
  704   2HG2  ILE 113          2HG2      ILE 113   7.014  -2.734   8.522
  705   3HG2  ILE 113          3HG2      ILE 113   7.645  -1.162   8.032
  706   1HD1  ILE 113          1HD1      ILE 113   6.469  -0.955  11.905
  707   2HD1  ILE 113          2HD1      ILE 113   7.290  -1.926  10.683
  708   3HD1  ILE 113          3HD1      ILE 113   5.580  -2.196  11.021
  709    HA   PRO 114           HA       PRO 114   7.428   2.981   6.126
  710   1HB   PRO 114          1HB       PRO 114   7.972   4.290   8.736
  711   2HB   PRO 114          2HB       PRO 114   7.358   5.003   7.234
  712   1HG   PRO 114          1HG       PRO 114   5.807   4.664   9.411
  713   2HG   PRO 114          2HG       PRO 114   5.167   4.535   7.764
  714   1HD   PRO 114          1HD       PRO 114   5.903   2.337   9.687
  715   2HD   PRO 114          2HD       PRO 114   4.507   2.472   8.605
  716    H    ALA 115           H        ALA 115   9.552   2.471   5.769
  717    HA   ALA 115           HA       ALA 115  11.329   1.745   8.007
  718   1HB   ALA 115          1HB       ALA 115  10.268  -0.404   7.416
  719   2HB   ALA 115          2HB       ALA 115  11.978  -0.405   6.985
  720   3HB   ALA 115          3HB       ALA 115  10.754  -0.182   5.735
  721    H    LYS 116           H        LYS 116  13.371   2.440   7.575
  722    HA   LYS 116           HA       LYS 116  13.880   3.802   5.052
  723   1HB   LYS 116          1HB       LYS 116  14.787   4.200   7.591
  724   2HB   LYS 116          2HB       LYS 116  16.134   3.264   6.957
  725   1HG   LYS 116          1HG       LYS 116  16.426   4.860   5.125
  726   2HG   LYS 116          2HG       LYS 116  14.993   5.747   5.640
  727   1HD   LYS 116          1HD       LYS 116  17.064   6.853   6.423
  728   2HD   LYS 116          2HD       LYS 116  16.070   6.308   7.772
  729   1HE   LYS 116          1HE       LYS 116  18.649   5.810   7.790
  730   2HE   LYS 116          2HE       LYS 116  17.527   4.554   8.307
  731   1HZ   LYS 116          1HZ       LYS 116  17.570   3.737   5.967
  732   2HZ   LYS 116          2HZ       LYS 116  19.045   3.580   6.794
  733   3HZ   LYS 116          3HZ       LYS 116  18.833   4.826   5.659
  734    H    LEU 117           H        LEU 117  14.440   2.633   3.253
  735    HA   LEU 117           HA       LEU 117  15.527  -0.061   3.494
  736   1HB   LEU 117          1HB       LEU 117  15.407   1.709   1.033
  737   2HB   LEU 117          2HB       LEU 117  15.663  -0.032   1.053
  738    HG   LEU 117           HG       LEU 117  13.155   1.428   1.943
  739   1HD1  LEU 117          1HD1      LEU 117  13.190   1.329  -0.436
  740   2HD1  LEU 117          2HD1      LEU 117  12.206  -0.053   0.053
  741   3HD1  LEU 117          3HD1      LEU 117  13.882  -0.291  -0.437
  742   1HD2  LEU 117          1HD2      LEU 117  13.234  -0.430   3.386
  743   2HD2  LEU 117          2HD2      LEU 117  14.022  -1.451   2.181
  744   3HD2  LEU 117          3HD2      LEU 117  12.313  -1.048   2.017
  745    H    VAL 118           H        VAL 118  17.630  -0.705   3.343
  746    HA   VAL 118           HA       VAL 118  19.724   1.357   2.781
  747    HB   VAL 118           HB       VAL 118  19.577  -0.586   5.105
  748   1HG1  VAL 118          1HG1      VAL 118  21.837  -0.701   4.327
  749   2HG1  VAL 118          2HG1      VAL 118  21.840   0.423   5.685
  750   3HG1  VAL 118          3HG1      VAL 118  21.894   1.037   4.034
  751   1HG2  VAL 118          1HG2      VAL 118  19.613   1.365   6.477
  752   2HG2  VAL 118          2HG2      VAL 118  18.440   1.705   5.204
  753   3HG2  VAL 118          3HG2      VAL 118  20.059   2.400   5.120
  754    H    GLN 119           H        GLN 119  20.383   0.523   0.812
  755    HA   GLN 119           HA       GLN 119  20.458  -2.195   0.059
  756   1HB   GLN 119          1HB       GLN 119  20.827  -0.228  -1.474
  757   2HB   GLN 119          2HB       GLN 119  22.447  -0.064  -0.802
  758   1HG   GLN 119          1HG       GLN 119  21.572  -2.738  -1.897
  759   2HG   GLN 119          2HG       GLN 119  22.058  -1.473  -3.012
  760   1HE2  GLN 119          1HE2      GLN 119  23.231  -3.771  -0.675
  761   2HE2  GLN 119          2HE2      GLN 119  24.875  -3.398  -0.846
  762    H    SER 120           H        SER 120  21.718  -3.873   0.718
  763    HA   SER 120           HA       SER 120  24.335  -3.288   2.059
  764   1HB   SER 120          1HB       SER 120  22.014  -4.924   3.052
  765   2HB   SER 120          2HB       SER 120  23.645  -5.318   3.567
  766    HG   SER 120           HG       SER 120  22.066  -3.127   4.159
  767    H    THR 121           H        THR 121  25.392  -5.641   2.446
  768    HA   THR 121           HA       THR 121  25.161  -7.153  -0.144
  769    HB   THR 121           HB       THR 121  27.649  -7.632   0.271
  770    HG1  THR 121           HG1      THR 121  27.032  -6.097   2.394
  771   1HG2  THR 121          1HG2      THR 121  28.304  -5.338  -0.605
  772   2HG2  THR 121          2HG2      THR 121  26.619  -4.866  -0.385
  773   3HG2  THR 121          3HG2      THR 121  27.033  -6.158  -1.512
  774    H    LEU 122           H        LEU 122  25.808  -9.448   0.050
  775    HA   LEU 122           HA       LEU 122  24.518 -10.753   2.197
  776   1HB   LEU 122          1HB       LEU 122  25.152 -11.806  -0.023
  777   2HB   LEU 122          2HB       LEU 122  26.801 -11.926   0.583
  778    HG   LEU 122           HG       LEU 122  25.914 -13.252   2.535
  779   1HD1  LEU 122          1HD1      LEU 122  23.348 -12.799   1.034
  780   2HD1  LEU 122          2HD1      LEU 122  23.638 -12.826   2.771
  781   3HD1  LEU 122          3HD1      LEU 122  23.569 -14.333   1.870
  782   1HD2  LEU 122          1HD2      LEU 122  25.379 -15.303   1.094
  783   2HD2  LEU 122          2HD2      LEU 122  26.911 -14.493   0.759
  784   3HD2  LEU 122          3HD2      LEU 122  25.524 -14.230  -0.299
  785    H    SER 123           H        SER 123  27.915  -9.756   1.883
  786    HA   SER 123           HA       SER 123  29.008 -11.156   4.079
  787   1HB   SER 123          1HB       SER 123  29.637  -8.349   3.114
  788   2HB   SER 123          2HB       SER 123  30.651  -9.294   4.204
  789    HG   SER 123           HG       SER 123  29.874 -10.068   1.589
  790    H    ASP 124           H        ASP 124  27.127  -8.137   4.017
  791    HA   ASP 124           HA       ASP 124  27.470  -7.495   6.786
  792   1HB   ASP 124          1HB       ASP 124  25.482  -6.781   4.641
  793   2HB   ASP 124          2HB       ASP 124  25.154  -6.318   6.299
  794    H    LEU 125           H        LEU 125  24.989  -9.356   5.027
  795    HA   LEU 125           HA       LEU 125  23.358  -9.935   7.272
  796   1HB   LEU 125          1HB       LEU 125  23.062 -10.427   4.668
  797   2HB   LEU 125          2HB       LEU 125  23.725 -11.993   5.112
  798    HG   LEU 125           HG       LEU 125  21.941 -12.069   6.957
  799   1HD1  LEU 125          1HD1      LEU 125  19.854 -10.675   6.180
  800   2HD1  LEU 125          2HD1      LEU 125  21.047  -9.637   5.408
  801   3HD1  LEU 125          3HD1      LEU 125  21.089  -9.883   7.149
  802   1HD2  LEU 125          1HD2      LEU 125  20.211 -12.840   5.371
  803   2HD2  LEU 125          2HD2      LEU 125  21.816 -13.397   4.895
  804   3HD2  LEU 125          3HD2      LEU 125  21.069 -12.039   4.054
  805    H    ARG 126           H        ARG 126  26.250 -11.560   6.018
  806    HA   ARG 126           HA       ARG 126  26.222 -13.851   7.705
  807   1HB   ARG 126          1HB       ARG 126  27.851 -13.834   5.991
  808   2HB   ARG 126          2HB       ARG 126  28.425 -12.232   6.419
  809   1HG   ARG 126          1HG       ARG 126  28.717 -14.329   8.534
  810   2HG   ARG 126          2HG       ARG 126  29.732 -14.530   7.116
  811   1HD   ARG 126          1HD       ARG 126  30.489 -12.134   7.435
  812   2HD   ARG 126          2HD       ARG 126  29.640 -12.137   8.975
  813    HE   ARG 126           HE       ARG 126  31.274 -14.388   9.070
  814   1HH1  ARG 126          1HH1      ARG 126  31.627 -11.002   8.524
  815   2HH1  ARG 126          2HH1      ARG 126  33.223 -10.926   9.194
  816   1HH2  ARG 126          1HH2      ARG 126  33.355 -14.308   9.948
  817   2HH2  ARG 126          2HH2      ARG 126  34.200 -12.797  10.001
  818    H    VAL 127           H        VAL 127  27.406 -10.547   8.323
  819    HA   VAL 127           HA       VAL 127  28.598 -10.987  10.840
  820    HB   VAL 127           HB       VAL 127  26.943  -8.598   9.963
  821   1HG1  VAL 127          1HG1      VAL 127  27.222  -8.567  12.364
  822   2HG1  VAL 127          2HG1      VAL 127  28.377  -7.425  11.678
  823   3HG1  VAL 127          3HG1      VAL 127  28.921  -9.013  12.219
  824   1HG2  VAL 127          1HG2      VAL 127  29.225  -7.643   9.494
  825   2HG2  VAL 127          2HG2      VAL 127  28.792  -8.988   8.441
  826   3HG2  VAL 127          3HG2      VAL 127  29.899  -9.246   9.787
  827    H    TYR 128           H        TYR 128  25.194 -10.749   9.909
  828    HA   TYR 128           HA       TYR 128  24.317 -10.900  12.744
  829   1HB   TYR 128          1HB       TYR 128  22.765 -10.842  10.145
  830   2HB   TYR 128          2HB       TYR 128  22.025 -10.913  11.741
  831    HD1  TYR 128           HD1      TYR 128  22.295  -9.027  13.342
  832    HD2  TYR 128           HD2      TYR 128  23.703  -8.813   9.295
  833    HE1  TYR 128           HE1      TYR 128  22.437  -6.559  13.523
  834    HE2  TYR 128           HE2      TYR 128  23.845  -6.346   9.471
  835    HH   TYR 128           HH       TYR 128  23.524  -4.574  10.761
  836    H    LEU 129           H        LEU 129  23.979 -12.894   9.797
  837    HA   LEU 129           HA       LEU 129  23.277 -15.243  11.517
  838   1HB   LEU 129          1HB       LEU 129  22.635 -14.648   8.622
  839   2HB   LEU 129          2HB       LEU 129  22.160 -16.099   9.493
  840    HG   LEU 129           HG       LEU 129  21.285 -13.261  10.100
  841   1HD1  LEU 129          1HD1      LEU 129  19.953 -15.684   8.871
  842   2HD1  LEU 129          2HD1      LEU 129  20.068 -14.047   8.224
  843   3HD1  LEU 129          3HD1      LEU 129  19.010 -14.380   9.594
  844   1HD2  LEU 129          1HD2      LEU 129  20.955 -15.846  11.611
  845   2HD2  LEU 129          2HD2      LEU 129  19.685 -14.623  11.688
  846   3HD2  LEU 129          3HD2      LEU 129  21.314 -14.232  12.229
  847    H    GLY 130           H        GLY 130  26.023 -14.634  11.086
  848   1HA   GLY 130          1HA       GLY 130  27.117 -15.960   8.810
  849   2HA   GLY 130          2HA       GLY 130  27.989 -15.642  10.309
  850    H    ALA 131           H        ALA 131  25.048 -17.654   9.930
  851    HA   ALA 131           HA       ALA 131  26.632 -20.116  10.226
  852   1HB   ALA 131          1HB       ALA 131  25.120 -20.736  12.261
  853   2HB   ALA 131          2HB       ALA 131  24.892 -18.994  12.418
  854   3HB   ALA 131          3HB       ALA 131  26.508 -19.685  12.537
  855    H    SER 132           H        SER 132  23.257 -18.929  10.612
  856    HA   SER 132           HA       SER 132  22.338 -21.242   8.961
  857   1HB   SER 132          1HB       SER 132  20.902 -19.276  10.762
  858   2HB   SER 132          2HB       SER 132  20.049 -20.405   9.709
  859    HG   SER 132           HG       SER 132  22.047 -21.553  11.185
  860    H    THR 133           H        THR 133  23.744 -19.067   7.686
  861    HA   THR 133           HA       THR 133  21.809 -17.265   6.503
  862    HB   THR 133           HB       THR 133  24.352 -17.683   5.023
  863    HG1  THR 133           HG1      THR 133  24.971 -16.431   7.287
  864   1HG2  THR 133          1HG2      THR 133  22.692 -15.674   5.012
  865   2HG2  THR 133          2HG2      THR 133  24.425 -15.340   5.019
  866   3HG2  THR 133          3HG2      THR 133  23.494 -15.212   6.513
  867    HA   PRO 134           HA       PRO 134  20.729 -20.429   3.382
  868   1HB   PRO 134          1HB       PRO 134  18.547 -19.230   2.327
  869   2HB   PRO 134          2HB       PRO 134  18.512 -19.972   3.936
  870   1HG   PRO 134          1HG       PRO 134  18.781 -17.091   3.178
  871   2HG   PRO 134          2HG       PRO 134  17.817 -17.826   4.472
  872   1HD   PRO 134          1HD       PRO 134  20.308 -16.649   4.855
  873   2HD   PRO 134          2HD       PRO 134  19.617 -17.872   5.937
  874    H    ASP 135           H        ASP 135  20.000 -20.043   0.879
  875    HA   ASP 135           HA       ASP 135  22.057 -18.214  -0.286
  876   1HB   ASP 135          1HB       ASP 135  22.093 -20.728  -0.750
  877   2HB   ASP 135          2HB       ASP 135  20.630 -20.478  -1.697
  878    H    LEU 136           H        LEU 136  21.360 -16.521  -1.391
  879    HA   LEU 136           HA       LEU 136  18.464 -16.104  -1.791
  880   1HB   LEU 136          1HB       LEU 136  20.823 -14.283  -2.340
  881   2HB   LEU 136          2HB       LEU 136  19.127 -13.814  -2.434
  882    HG   LEU 136           HG       LEU 136  20.532 -14.818   0.060
  883   1HD1  LEU 136          1HD1      LEU 136  20.426 -12.523   0.823
  884   2HD1  LEU 136          2HD1      LEU 136  19.504 -12.043  -0.601
  885   3HD1  LEU 136          3HD1      LEU 136  21.192 -12.524  -0.767
  886   1HD2  LEU 136          1HD2      LEU 136  18.316 -13.772   1.039
  887   2HD2  LEU 136          2HD2      LEU 136  18.291 -15.408   0.393
  888   3HD2  LEU 136          3HD2      LEU 136  17.686 -14.064  -0.581
  889    H    GLN 137           H        GLN 137  17.447 -16.126  -3.725
  890    HA   GLN 137           HA       GLN 137  19.073 -16.436  -6.224
  891   1HB   GLN 137          1HB       GLN 137  16.428 -17.826  -5.763
  892   2HB   GLN 137          2HB       GLN 137  17.650 -18.172  -6.983
  893   1HG   GLN 137          1HG       GLN 137  17.887 -18.630  -3.998
  894   2HG   GLN 137          2HG       GLN 137  17.778 -19.869  -5.247
  895   1HE2  GLN 137          1HE2      GLN 137  20.049 -18.655  -3.255
  896   2HE2  GLN 137          2HE2      GLN 137  21.408 -18.694  -4.262
  897   1H5*  ATP   1          1H5*      ATP   1   9.456   1.438  19.760
  898   2H5*  ATP   1          2H5*      ATP   1  10.762   1.402  20.906
  899    H4*  ATP   1           H4*      ATP   1  10.855   3.609  18.824
  900    H3*  ATP   1           H3*      ATP   1  11.735   3.342  21.690
  901   *HO3  ATP   1          *HO3      ATP   1  13.005   3.839  19.828
  902    H2*  ATP   1           H2*      ATP   1  10.229   4.855  22.493
  903   *HO2  ATP   1          *HO2      ATP   1  12.047   6.068  20.979
  904    H1*  ATP   1           H1*      ATP   1   9.596   5.811  19.654
  905    H8   ATP   1           H8       ATP   1   7.568   7.334  19.890
  906    H2   ATP   1           H2       ATP   1   7.219   3.071  24.690
  907   1HN6  ATP   1          1HN6      ATP   1   3.746   5.909  24.576
  908   2HN6  ATP   1          2HN6      ATP   1   3.716   6.561  22.958
  Start of MODEL   14
    1   1H    GLY  17          1H        GLY  17  59.902   8.001 -16.448
    2   2H    GLY  17          2H        GLY  17  58.766   8.290 -17.678
    3   3H    GLY  17          3H        GLY  17  60.428   8.364 -18.019
    4   1HA   GLY  17          1HA       GLY  17  60.647   5.996 -17.538
    5   2HA   GLY  17          2HA       GLY  17  58.910   5.933 -17.240
    6    H    ALA  18           H        ALA  18  59.601   4.278 -19.169
    7    HA   ALA  18           HA       ALA  18  59.757   5.534 -21.791
    8   1HB   ALA  18          1HB       ALA  18  60.756   3.409 -21.743
    9   2HB   ALA  18          2HB       ALA  18  59.197   3.061 -22.490
   10   3HB   ALA  18          3HB       ALA  18  59.454   2.714 -20.780
   11    HA   PRO  19           HA       PRO  19  55.383   6.067 -22.386
   12   1HB   PRO  19          1HB       PRO  19  55.157   5.877 -25.099
   13   2HB   PRO  19          2HB       PRO  19  55.946   7.252 -24.303
   14   1HG   PRO  19          1HG       PRO  19  57.182   4.831 -25.561
   15   2HG   PRO  19          2HG       PRO  19  57.652   6.534 -25.708
   16   1HD   PRO  19          1HD       PRO  19  58.926   4.795 -24.019
   17   2HD   PRO  19          2HD       PRO  19  58.773   6.528 -23.662
   18    H    GLU  20           H        GLU  20  54.337   4.268 -21.467
   19    HA   GLU  20           HA       GLU  20  54.429   1.631 -22.651
   20   1HB   GLU  20          1HB       GLU  20  52.852   0.996 -20.967
   21   2HB   GLU  20          2HB       GLU  20  53.922   2.174 -20.213
   22   1HG   GLU  20          1HG       GLU  20  51.113   2.640 -21.255
   23   2HG   GLU  20          2HG       GLU  20  51.676   2.768 -19.591
   24    H    GLY  21           H        GLY  21  52.377   4.437 -23.066
   25   1HA   GLY  21          1HA       GLY  21  51.369   3.847 -25.557
   26   2HA   GLY  21          2HA       GLY  21  50.280   2.974 -24.479
   27    HA   PRO  22           HA       PRO  22  50.198   7.795 -23.205
   28   1HB   PRO  22          1HB       PRO  22  50.871   8.668 -26.004
   29   2HB   PRO  22          2HB       PRO  22  51.203   9.483 -24.462
   30   1HG   PRO  22          1HG       PRO  22  53.121   8.158 -25.743
   31   2HG   PRO  22          2HG       PRO  22  52.999   8.096 -23.976
   32   1HD   PRO  22          1HD       PRO  22  52.294   5.994 -25.995
   33   2HD   PRO  22          2HD       PRO  22  52.895   5.802 -24.335
   34    H    GLY  23           H        GLY  23  47.963   7.289 -23.084
   35   1HA   GLY  23          1HA       GLY  23  46.188   8.573 -24.854
   36   2HA   GLY  23          2HA       GLY  23  46.283   6.892 -25.379
   37    HA   PRO  24           HA       PRO  24  43.307   7.354 -21.741
   38   1HB   PRO  24          1HB       PRO  24  40.952   6.951 -23.045
   39   2HB   PRO  24          2HB       PRO  24  41.710   8.551 -22.935
   40   1HG   PRO  24          1HG       PRO  24  41.758   6.584 -25.192
   41   2HG   PRO  24          2HG       PRO  24  41.515   8.339 -25.239
   42   1HD   PRO  24          1HD       PRO  24  43.936   7.139 -25.785
   43   2HD   PRO  24          2HD       PRO  24  43.800   8.779 -25.114
   44    H    SER  25           H        SER  25  42.981   5.498 -20.569
   45    HA   SER  25           HA       SER  25  43.513   2.908 -21.687
   46   1HB   SER  25          1HB       SER  25  42.675   2.065 -19.479
   47   2HB   SER  25          2HB       SER  25  43.898   3.326 -19.322
   48    HG   SER  25           HG       SER  25  41.380   3.311 -18.434
   49    H    GLY  26           H        GLY  26  40.444   4.124 -20.280
   50   1HA   GLY  26          1HA       GLY  26  38.686   3.648 -22.338
   51   2HA   GLY  26          2HA       GLY  26  38.934   2.038 -21.663
   52    H    GLY  27           H        GLY  27  36.844   4.528 -21.537
   53   1HA   GLY  27          1HA       GLY  27  35.030   4.860 -20.054
   54   2HA   GLY  27          2HA       GLY  27  35.731   3.646 -18.984
   55    H    ALA  28           H        ALA  28  38.359   5.275 -19.269
   56    HA   ALA  28           HA       ALA  28  37.907   6.892 -16.880
   57   1HB   ALA  28          1HB       ALA  28  40.360   6.654 -18.650
   58   2HB   ALA  28          2HB       ALA  28  40.029   5.663 -17.229
   59   3HB   ALA  28          3HB       ALA  28  40.312   7.395 -17.050
   60    H    GLN  29           H        GLN  29  37.489   7.421 -20.181
   61    HA   GLN  29           HA       GLN  29  38.300  10.225 -20.231
   62   1HB   GLN  29          1HB       GLN  29  38.232   8.745 -22.269
   63   2HB   GLN  29          2HB       GLN  29  36.474   8.747 -22.151
   64   1HG   GLN  29          1HG       GLN  29  38.048  11.327 -22.267
   65   2HG   GLN  29          2HG       GLN  29  37.561  10.480 -23.733
   66   1HE2  GLN  29          1HE2      GLN  29  36.544  13.104 -22.953
   67   2HE2  GLN  29          2HE2      GLN  29  34.877  12.938 -22.684
   68    H    GLY  30           H        GLY  30  35.095   8.639 -20.528
   69   1HA   GLY  30          1HA       GLY  30  33.718  11.124 -19.888
   70   2HA   GLY  30          2HA       GLY  30  32.960   9.544 -20.086
   71    H    GLY  31           H        GLY  31  34.198  11.829 -17.812
   72   1HA   GLY  31          1HA       GLY  31  34.287   9.970 -15.559
   73   2HA   GLY  31          2HA       GLY  31  34.431  11.725 -15.459
   74    H    SER  32           H        SER  32  31.886   9.460 -16.584
   75    HA   SER  32           HA       SER  32  29.786  11.202 -15.575
   76   1HB   SER  32          1HB       SER  32  29.672   8.328 -16.541
   77   2HB   SER  32          2HB       SER  32  28.273   9.361 -16.249
   78    HG   SER  32           HG       SER  32  29.561  10.839 -17.763
   79    H    ILE  33           H        ILE  33  28.955  11.200 -13.538
   80    HA   ILE  33           HA       ILE  33  30.074   9.885 -11.362
   81    HB   ILE  33           HB       ILE  33  28.144  10.491 -10.095
   82   1HG1  ILE  33          1HG1      ILE  33  26.371   9.435 -11.371
   83   2HG1  ILE  33          2HG1      ILE  33  25.997  11.149 -11.241
   84   1HG2  ILE  33          1HG2      ILE  33  28.233  12.443 -12.406
   85   2HG2  ILE  33          2HG2      ILE  33  29.481  12.347 -11.163
   86   3HG2  ILE  33          3HG2      ILE  33  27.831  12.791 -10.724
   87   1HD1  ILE  33          1HD1      ILE  33  25.598  10.630 -13.515
   88   2HD1  ILE  33          2HD1      ILE  33  27.055   9.650 -13.638
   89   3HD1  ILE  33          3HD1      ILE  33  27.180  11.405 -13.517
   90    H    HIS  34           H        HIS  34  28.855   8.193  -9.945
   91    HA   HIS  34           HA       HIS  34  28.484   5.800 -11.627
   92   1HB   HIS  34          1HB       HIS  34  29.830   5.843  -9.464
   93   2HB   HIS  34          2HB       HIS  34  28.293   5.989  -8.612
   94    HD1  HIS  34           HD1      HIS  34  29.452   3.769 -11.505
   95    HD2  HIS  34           HD2      HIS  34  27.559   3.461  -7.804
   96    HE1  HIS  34           HE1      HIS  34  28.882   1.321 -11.194
   97    H    SER  35           H        SER  35  26.633   4.264 -10.677
   98    HA   SER  35           HA       SER  35  24.147   5.269 -11.459
   99   1HB   SER  35          1HB       SER  35  24.422   2.896 -11.150
  100   2HB   SER  35          2HB       SER  35  24.806   3.107  -9.441
  101    HG   SER  35           HG       SER  35  22.339   3.567 -10.748
  102    H    GLY  36           H        GLY  36  22.740   6.699 -10.556
  103   1HA   GLY  36          1HA       GLY  36  23.379   7.898  -7.966
  104   2HA   GLY  36          2HA       GLY  36  22.045   8.362  -9.022
  105    H    ARG  37           H        ARG  37  23.083   5.858  -6.716
  106    HA   ARG  37           HA       ARG  37  20.724   4.362  -6.514
  107   1HB   ARG  37          1HB       ARG  37  22.764   5.179  -4.437
  108   2HB   ARG  37          2HB       ARG  37  21.397   4.144  -4.023
  109   1HG   ARG  37          1HG       ARG  37  23.324   2.753  -4.592
  110   2HG   ARG  37          2HG       ARG  37  22.084   2.570  -5.831
  111   1HD   ARG  37          1HD       ARG  37  23.271   3.900  -7.382
  112   2HD   ARG  37          2HD       ARG  37  24.288   4.613  -6.129
  113    HE   ARG  37           HE       ARG  37  25.730   2.769  -6.362
  114   1HH1  ARG  37          1HH1      ARG  37  22.565   2.079  -7.544
  115   2HH1  ARG  37          2HH1      ARG  37  22.988   0.513  -8.150
  116   1HH2  ARG  37          1HH2      ARG  37  26.300   0.727  -7.146
  117   2HH2  ARG  37          2HH2      ARG  37  25.103  -0.253  -7.925
  118    H    ILE  38           H        ILE  38  19.138   4.503  -4.577
  119    HA   ILE  38           HA       ILE  38  18.503   7.316  -3.818
  120    HB   ILE  38           HB       ILE  38  16.499   5.426  -5.111
  121   1HG1  ILE  38          1HG1      ILE  38  17.940   7.892  -6.116
  122   2HG1  ILE  38          2HG1      ILE  38  18.028   6.263  -6.783
  123   1HG2  ILE  38          1HG2      ILE  38  16.157   8.359  -4.411
  124   2HG2  ILE  38          2HG2      ILE  38  15.639   7.063  -3.334
  125   3HG2  ILE  38          3HG2      ILE  38  14.916   7.223  -4.930
  126   1HD1  ILE  38          1HD1      ILE  38  15.483   6.463  -7.146
  127   2HD1  ILE  38          2HD1      ILE  38  16.522   7.404  -8.217
  128   3HD1  ILE  38          3HD1      ILE  38  15.704   8.190  -6.867
  129    H    ALA  39           H        ALA  39  18.891   6.891  -1.668
  130    HA   ALA  39           HA       ALA  39  17.409   4.635  -0.370
  131   1HB   ALA  39          1HB       ALA  39  18.924   5.275   1.600
  132   2HB   ALA  39          2HB       ALA  39  19.795   6.297   0.457
  133   3HB   ALA  39          3HB       ALA  39  19.718   4.554   0.199
  134    H    ALA  40           H        ALA  40  15.457   5.266   0.402
  135    HA   ALA  40           HA       ALA  40  15.290   7.708   2.067
  136   1HB   ALA  40          1HB       ALA  40  13.200   7.326  -0.070
  137   2HB   ALA  40          2HB       ALA  40  14.705   8.158  -0.452
  138   3HB   ALA  40          3HB       ALA  40  13.643   8.794   0.802
  139    H    VAL  41           H        VAL  41  12.717   7.806   2.696
  140    HA   VAL  41           HA       VAL  41  12.262   5.277   4.116
  141    HB   VAL  41           HB       VAL  41  10.645   7.840   4.045
  142   1HG1  VAL  41          1HG1      VAL  41   9.243   5.981   4.740
  143   2HG1  VAL  41          2HG1      VAL  41   9.656   6.941   6.159
  144   3HG1  VAL  41          3HG1      VAL  41  10.488   5.417   5.856
  145   1HG2  VAL  41          1HG2      VAL  41  12.642   6.781   6.068
  146   2HG2  VAL  41          2HG2      VAL  41  11.692   8.256   6.249
  147   3HG2  VAL  41          3HG2      VAL  41  12.909   8.143   4.980
  148    H    HIS  42           H        HIS  42  10.541   3.861   3.726
  149    HA   HIS  42           HA       HIS  42   8.629   4.463   1.534
  150   1HB   HIS  42          1HB       HIS  42  10.681   2.252   1.530
  151   2HB   HIS  42          2HB       HIS  42   9.184   2.094   0.618
  152    HD1  HIS  42           HD1      HIS  42   9.163   3.094  -1.658
  153    HD2  HIS  42           HD2      HIS  42  12.218   4.679   0.686
  154    HE1  HIS  42           HE1      HIS  42  10.540   4.573  -3.179
  155    H    ASN  43           H        ASN  43   6.891   2.819   1.452
  156    HA   ASN  43           HA       ASN  43   6.358   1.651   4.146
  157   1HB   ASN  43          1HB       ASN  43   4.022   1.357   3.127
  158   2HB   ASN  43          2HB       ASN  43   4.541   3.013   3.432
  159   1HD2  ASN  43          1HD2      ASN  43   2.773   3.293   1.609
  160   2HD2  ASN  43          2HD2      ASN  43   3.358   3.267   0.020
  161    H    VAL  44           H        VAL  44   7.577  -0.269   3.989
  162    HA   VAL  44           HA       VAL  44   7.283  -1.984   1.627
  163    HB   VAL  44           HB       VAL  44   9.442  -1.612   2.964
  164   1HG1  VAL  44          1HG1      VAL  44   9.817  -2.938   4.911
  165   2HG1  VAL  44          2HG1      VAL  44   8.273  -3.771   4.724
  166   3HG1  VAL  44          3HG1      VAL  44   8.307  -2.071   5.190
  167   1HG2  VAL  44          1HG2      VAL  44  10.212  -3.899   2.549
  168   2HG2  VAL  44          2HG2      VAL  44   9.178  -3.358   1.228
  169   3HG2  VAL  44          3HG2      VAL  44   8.545  -4.459   2.453
  170    HA   PRO  45           HA       PRO  45   3.604  -4.049   3.288
  171   1HB   PRO  45          1HB       PRO  45   4.766  -6.400   1.831
  172   2HB   PRO  45          2HB       PRO  45   3.101  -5.789   1.831
  173   1HG   PRO  45          1HG       PRO  45   4.734  -5.321  -0.214
  174   2HG   PRO  45          2HG       PRO  45   3.603  -4.084   0.351
  175   1HD   PRO  45          1HD       PRO  45   6.569  -4.239   0.715
  176   2HD   PRO  45          2HD       PRO  45   5.526  -2.814   0.551
  177    H    LEU  46           H        LEU  46   3.179  -5.235   5.114
  178    HA   LEU  46           HA       LEU  46   5.336  -6.110   6.793
  179   1HB   LEU  46          1HB       LEU  46   2.391  -6.780   6.897
  180   2HB   LEU  46          2HB       LEU  46   3.534  -7.090   8.190
  181    HG   LEU  46           HG       LEU  46   3.397  -4.278   7.172
  182   1HD1  LEU  46          1HD1      LEU  46   1.048  -4.820   7.272
  183   2HD1  LEU  46          2HD1      LEU  46   1.454  -3.819   8.668
  184   3HD1  LEU  46          3HD1      LEU  46   1.245  -5.559   8.860
  185   1HD2  LEU  46          1HD2      LEU  46   3.629  -5.539   9.918
  186   2HD2  LEU  46          2HD2      LEU  46   3.602  -3.807   9.622
  187   3HD2  LEU  46          3HD2      LEU  46   4.928  -4.781   8.996
  188    H    SER  47           H        SER  47   3.221  -7.695   4.527
  189    HA   SER  47           HA       SER  47   3.648 -10.394   5.276
  190   1HB   SER  47          1HB       SER  47   3.032 -10.855   2.848
  191   2HB   SER  47          2HB       SER  47   1.876  -9.900   3.772
  192    HG   SER  47           HG       SER  47   2.238  -8.887   1.819
  193    H    VAL  48           H        VAL  48   5.739  -8.262   3.373
  194    HA   VAL  48           HA       VAL  48   7.445 -10.603   2.653
  195    HB   VAL  48           HB       VAL  48   8.494  -9.204   1.033
  196   1HG1  VAL  48          1HG1      VAL  48   6.103 -10.053   0.647
  197   2HG1  VAL  48          2HG1      VAL  48   6.671  -8.762  -0.411
  198   3HG1  VAL  48          3HG1      VAL  48   5.593  -8.390   0.932
  199   1HG2  VAL  48          1HG2      VAL  48   7.832  -6.791   0.797
  200   2HG2  VAL  48          2HG2      VAL  48   8.760  -7.137   2.254
  201   3HG2  VAL  48          3HG2      VAL  48   7.015  -6.917   2.351
  202    H    LEU  49           H        LEU  49   7.352  -9.314   5.423
  203    HA   LEU  49           HA       LEU  49  10.101  -8.211   5.611
  204   1HB   LEU  49          1HB       LEU  49   7.928  -8.646   7.688
  205   2HB   LEU  49          2HB       LEU  49   9.523  -8.006   8.058
  206    HG   LEU  49           HG       LEU  49   7.505  -6.745   6.176
  207   1HD1  LEU  49          1HD1      LEU  49   8.523  -5.839   8.886
  208   2HD1  LEU  49          2HD1      LEU  49   6.978  -6.646   8.627
  209   3HD1  LEU  49          3HD1      LEU  49   7.274  -5.057   7.918
  210   1HD2  LEU  49          1HD2      LEU  49  10.373  -6.134   6.827
  211   2HD2  LEU  49          2HD2      LEU  49   9.274  -4.782   6.571
  212   3HD2  LEU  49          3HD2      LEU  49   9.514  -5.973   5.296
  213    H    ILE  50           H        ILE  50  11.785  -9.495   6.109
  214    HA   ILE  50           HA       ILE  50  11.263 -12.321   6.862
  215    HB   ILE  50           HB       ILE  50  13.889 -11.023   6.154
  216   1HG1  ILE  50          1HG1      ILE  50  11.764 -12.245   4.381
  217   2HG1  ILE  50          2HG1      ILE  50  12.340 -10.585   4.339
  218   1HG2  ILE  50          1HG2      ILE  50  13.767 -13.331   7.255
  219   2HG2  ILE  50          2HG2      ILE  50  14.641 -13.230   5.728
  220   3HG2  ILE  50          3HG2      ILE  50  13.001 -13.879   5.763
  221   1HD1  ILE  50          1HD1      ILE  50  13.482 -11.671   2.567
  222   2HD1  ILE  50          2HD1      ILE  50  13.831 -13.090   3.555
  223   3HD1  ILE  50          3HD1      ILE  50  14.662 -11.566   3.871
  224    H    ARG  51           H        ARG  51  11.338 -12.823   8.958
  225    HA   ARG  51           HA       ARG  51  13.352 -11.507  10.736
  226   1HB   ARG  51          1HB       ARG  51  10.402 -11.953  11.220
  227   2HB   ARG  51          2HB       ARG  51  11.539 -11.749  12.552
  228   1HG   ARG  51          1HG       ARG  51  12.275  -9.603  11.517
  229   2HG   ARG  51          2HG       ARG  51  11.006  -9.780  10.310
  230   1HD   ARG  51          1HD       ARG  51   9.295  -9.743  12.045
  231   2HD   ARG  51          2HD       ARG  51  10.527  -9.726  13.306
  232    HE   ARG  51           HE       ARG  51  10.878  -7.418  12.882
  233   1HH1  ARG  51          1HH1      ARG  51   8.959  -8.948  10.458
  234   2HH1  ARG  51          2HH1      ARG  51   8.506  -7.462   9.693
  235   1HH2  ARG  51          1HH2      ARG  51  10.297  -5.471  11.895
  236   2HH2  ARG  51          2HH2      ARG  51   9.264  -5.494  10.505
  237    HA   PRO  52           HA       PRO  52  13.570 -16.041  11.448
  238   1HB   PRO  52          1HB       PRO  52  16.132 -16.453  10.890
  239   2HB   PRO  52          2HB       PRO  52  15.005 -16.049   9.577
  240   1HG   PRO  52          1HG       PRO  52  17.000 -14.308  10.972
  241   2HG   PRO  52          2HG       PRO  52  16.568 -14.365   9.258
  242   1HD   PRO  52          1HD       PRO  52  15.524 -12.548  11.198
  243   2HD   PRO  52          2HD       PRO  52  14.890 -12.806   9.558
  244    H    LEU  53           H        LEU  53  13.939 -13.709  13.433
  245    HA   LEU  53           HA       LEU  53  15.654 -15.197  15.385
  246   1HB   LEU  53          1HB       LEU  53  16.608 -13.043  14.075
  247   2HB   LEU  53          2HB       LEU  53  15.767 -12.204  15.369
  248    HG   LEU  53           HG       LEU  53  17.043 -13.570  17.034
  249   1HD1  LEU  53          1HD1      LEU  53  17.807 -15.550  16.120
  250   2HD1  LEU  53          2HD1      LEU  53  19.237 -14.582  15.789
  251   3HD1  LEU  53          3HD1      LEU  53  18.044 -14.851  14.519
  252   1HD2  LEU  53          1HD2      LEU  53  18.960 -12.247  15.103
  253   2HD2  LEU  53          2HD2      LEU  53  19.022 -12.262  16.866
  254   3HD2  LEU  53          3HD2      LEU  53  17.798 -11.298  16.037
  255    HA   PRO  54           HA       PRO  54  11.589 -14.535  17.465
  256   1HB   PRO  54          1HB       PRO  54  13.224 -15.758  19.672
  257   2HB   PRO  54          2HB       PRO  54  11.560 -16.119  19.172
  258   1HG   PRO  54          1HG       PRO  54  13.556 -17.738  18.510
  259   2HG   PRO  54          2HG       PRO  54  12.252 -17.392  17.361
  260   1HD   PRO  54          1HD       PRO  54  15.070 -16.356  17.397
  261   2HD   PRO  54          2HD       PRO  54  14.032 -16.749  16.012
  262    H    SER  55           H        SER  55  11.009 -13.403  19.594
  263    HA   SER  55           HA       SER  55  13.104 -11.718  20.782
  264   1HB   SER  55          1HB       SER  55  10.908 -10.587  19.040
  265   2HB   SER  55          2HB       SER  55  11.750  -9.617  20.245
  266    HG   SER  55           HG       SER  55  13.670 -10.736  19.023
  267    H    VAL  56           H        VAL  56  12.190 -10.387  22.571
  268    HA   VAL  56           HA       VAL  56   9.825 -11.737  23.815
  269    HB   VAL  56           HB       VAL  56  12.071 -10.121  25.063
  270   1HG1  VAL  56          1HG1      VAL  56  11.038 -11.010  27.202
  271   2HG1  VAL  56          2HG1      VAL  56   9.647 -11.507  26.237
  272   3HG1  VAL  56          3HG1      VAL  56  10.070  -9.799  26.361
  273   1HG2  VAL  56          1HG2      VAL  56  12.603 -12.360  26.108
  274   2HG2  VAL  56          2HG2      VAL  56  12.867 -12.294  24.366
  275   3HG2  VAL  56          3HG2      VAL  56  11.427 -13.082  25.009
  276    H    LEU  57           H        LEU  57   7.993 -10.547  23.514
  277    HA   LEU  57           HA       LEU  57   8.204  -7.594  23.244
  278   1HB   LEU  57          1HB       LEU  57   5.808  -9.389  22.873
  279   2HB   LEU  57          2HB       LEU  57   5.902  -7.683  22.464
  280    HG   LEU  57           HG       LEU  57   7.621  -9.861  21.234
  281   1HD1  LEU  57          1HD1      LEU  57   5.154  -8.381  20.286
  282   2HD1  LEU  57          2HD1      LEU  57   5.384 -10.125  20.419
  283   3HD1  LEU  57          3HD1      LEU  57   6.243  -9.215  19.176
  284   1HD2  LEU  57          1HD2      LEU  57   8.914  -7.922  21.046
  285   2HD2  LEU  57          2HD2      LEU  57   7.506  -6.862  20.968
  286   3HD2  LEU  57          3HD2      LEU  57   7.958  -7.835  19.569
  287    H    ASP  58           H        ASP  58   7.136  -6.196  24.529
  288    HA   ASP  58           HA       ASP  58   6.206  -7.194  27.169
  289   1HB   ASP  58          1HB       ASP  58   7.942  -5.608  27.423
  290   2HB   ASP  58          2HB       ASP  58   7.333  -4.593  26.144
  291    HA   PRO  59           HA       PRO  59   2.132  -6.086  25.561
  292   1HB   PRO  59          1HB       PRO  59   0.627  -6.440  27.796
  293   2HB   PRO  59          2HB       PRO  59   1.342  -7.803  26.912
  294   1HG   PRO  59          1HG       PRO  59   2.315  -6.441  29.396
  295   2HG   PRO  59          2HG       PRO  59   2.207  -8.168  29.037
  296   1HD   PRO  59          1HD       PRO  59   4.549  -6.741  28.809
  297   2HD   PRO  59          2HD       PRO  59   4.190  -8.170  27.818
  298    H    ALA  60           H        ALA  60   3.667  -4.325  28.134
  299    HA   ALA  60           HA       ALA  60   1.549  -2.280  28.268
  300   1HB   ALA  60          1HB       ALA  60   4.306  -2.054  29.475
  301   2HB   ALA  60          2HB       ALA  60   3.063  -3.068  30.211
  302   3HB   ALA  60          3HB       ALA  60   2.795  -1.333  30.033
  303    H    LYS  61           H        LYS  61   4.902  -2.521  27.077
  304    HA   LYS  61           HA       LYS  61   4.996   0.182  26.126
  305   1HB   LYS  61          1HB       LYS  61   6.842  -1.868  26.459
  306   2HB   LYS  61          2HB       LYS  61   6.728  -1.759  24.710
  307   1HG   LYS  61          1HG       LYS  61   7.099   0.731  24.926
  308   2HG   LYS  61          2HG       LYS  61   7.412   0.461  26.641
  309   1HD   LYS  61          1HD       LYS  61   8.928  -0.876  24.376
  310   2HD   LYS  61          2HD       LYS  61   9.507   0.525  25.274
  311   1HE   LYS  61          1HE       LYS  61   9.112  -0.968  27.386
  312   2HE   LYS  61          2HE       LYS  61   9.125  -2.304  26.234
  313   1HZ   LYS  61          1HZ       LYS  61  11.320  -2.220  26.312
  314   2HZ   LYS  61          2HZ       LYS  61  11.300  -0.808  27.257
  315   3HZ   LYS  61          3HZ       LYS  61  11.263  -0.700  25.562
  316    H    VAL  62           H        VAL  62   3.875  -2.843  24.685
  317    HA   VAL  62           HA       VAL  62   3.747  -1.856  21.975
  318    HB   VAL  62           HB       VAL  62   2.251  -4.084  23.394
  319   1HG1  VAL  62          1HG1      VAL  62   1.769  -4.821  20.987
  320   2HG1  VAL  62          2HG1      VAL  62   2.209  -3.181  20.506
  321   3HG1  VAL  62          3HG1      VAL  62   0.835  -3.447  21.580
  322   1HG2  VAL  62          1HG2      VAL  62   4.421  -4.222  21.285
  323   2HG2  VAL  62          2HG2      VAL  62   3.802  -5.542  22.277
  324   3HG2  VAL  62          3HG2      VAL  62   4.759  -4.258  23.014
  325    H    GLN  63           H        GLN  63   1.532  -1.775  24.733
  326    HA   GLN  63           HA       GLN  63  -0.749  -0.793  23.276
  327   1HB   GLN  63          1HB       GLN  63   0.085  -0.854  26.165
  328   2HB   GLN  63          2HB       GLN  63  -1.264   0.185  25.710
  329   1HG   GLN  63          1HG       GLN  63  -1.156  -2.720  24.873
  330   2HG   GLN  63          2HG       GLN  63  -1.830  -2.228  26.426
  331   1HE2  GLN  63          1HE2      GLN  63  -3.886  -3.181  25.322
  332   2HE2  GLN  63          2HE2      GLN  63  -4.810  -2.118  24.375
  333    H    SER  64           H        SER  64   2.031   0.768  24.806
  334    HA   SER  64           HA       SER  64   1.079   3.466  24.546
  335   1HB   SER  64          1HB       SER  64   3.011   2.768  25.981
  336   2HB   SER  64          2HB       SER  64   3.952   2.495  24.515
  337    HG   SER  64           HG       SER  64   2.858   4.920  25.473
  338    H    LEU  65           H        LEU  65   2.891   1.320  22.372
  339    HA   LEU  65           HA       LEU  65   3.290   3.395  20.374
  340   1HB   LEU  65          1HB       LEU  65   3.840   0.470  20.653
  341   2HB   LEU  65          2HB       LEU  65   3.718   1.083  19.013
  342    HG   LEU  65           HG       LEU  65   5.435   2.530  21.032
  343   1HD1  LEU  65          1HD1      LEU  65   6.325   0.341  21.232
  344   2HD1  LEU  65          2HD1      LEU  65   7.359   1.137  20.046
  345   3HD1  LEU  65          3HD1      LEU  65   6.111   0.009  19.514
  346   1HD2  LEU  65          1HD2      LEU  65   5.482   2.208  18.014
  347   2HD2  LEU  65          2HD2      LEU  65   6.727   3.051  18.933
  348   3HD2  LEU  65          3HD2      LEU  65   5.076   3.666  18.918
  349    H    VAL  66           H        VAL  66   1.072   0.637  20.784
  350    HA   VAL  66           HA       VAL  66  -0.334   0.857  18.345
  351    HB   VAL  66           HB       VAL  66  -1.142  -0.003  21.129
  352   1HG1  VAL  66          1HG1      VAL  66  -2.832   0.071  18.629
  353   2HG1  VAL  66          2HG1      VAL  66  -3.215   0.740  20.213
  354   3HG1  VAL  66          3HG1      VAL  66  -3.180  -1.006  19.979
  355   1HG2  VAL  66          1HG2      VAL  66   0.444  -1.382  19.746
  356   2HG2  VAL  66          2HG2      VAL  66  -0.842  -1.566  18.552
  357   3HG2  VAL  66          3HG2      VAL  66  -1.045  -2.224  20.176
  358    H    ASP  67           H        ASP  67  -0.531   2.741  21.314
  359    HA   ASP  67           HA       ASP  67  -2.908   4.221  20.514
  360   1HB   ASP  67          1HB       ASP  67  -0.861   4.460  22.718
  361   2HB   ASP  67          2HB       ASP  67  -2.036   5.741  22.450
  362    H    THR  68           H        THR  68   0.603   4.728  20.318
  363    HA   THR  68           HA       THR  68   0.474   7.480  19.512
  364    HB   THR  68           HB       THR  68   2.633   5.547  18.647
  365    HG1  THR  68           HG1      THR  68   1.768   5.834  21.087
  366   1HG2  THR  68          1HG2      THR  68   2.752   8.417  19.604
  367   2HG2  THR  68          2HG2      THR  68   2.659   7.950  17.907
  368   3HG2  THR  68          3HG2      THR  68   4.060   7.487  18.874
  369    H    ILE  69           H        ILE  69   0.852   4.482  17.603
  370    HA   ILE  69           HA       ILE  69   0.801   5.688  15.041
  371    HB   ILE  69           HB       ILE  69  -0.326   2.982  15.826
  372   1HG1  ILE  69          1HG1      ILE  69   2.484   3.900  15.152
  373   2HG1  ILE  69          2HG1      ILE  69   1.944   3.154  16.648
  374   1HG2  ILE  69          1HG2      ILE  69   0.886   3.886  13.193
  375   2HG2  ILE  69          2HG2      ILE  69  -0.850   3.872  13.494
  376   3HG2  ILE  69          3HG2      ILE  69   0.058   2.365  13.518
  377   1HD1  ILE  69          1HD1      ILE  69   3.035   1.431  15.402
  378   2HD1  ILE  69          2HD1      ILE  69   2.167   1.858  13.928
  379   3HD1  ILE  69          3HD1      ILE  69   1.305   1.117  15.275
  380    H    ARG  70           H        ARG  70  -1.855   4.601  17.134
  381    HA   ARG  70           HA       ARG  70  -3.910   5.293  15.192
  382   1HB   ARG  70          1HB       ARG  70  -3.812   4.240  17.981
  383   2HB   ARG  70          2HB       ARG  70  -5.271   5.122  17.563
  384   1HG   ARG  70          1HG       ARG  70  -5.579   3.657  15.589
  385   2HG   ARG  70          2HG       ARG  70  -4.124   2.767  16.033
  386   1HD   ARG  70          1HD       ARG  70  -5.161   2.152  18.191
  387   2HD   ARG  70          2HD       ARG  70  -6.617   3.040  17.741
  388    HE   ARG  70           HE       ARG  70  -6.187   1.214  15.662
  389   1HH1  ARG  70          1HH1      ARG  70  -6.651   1.181  19.078
  390   2HH1  ARG  70          2HH1      ARG  70  -7.428  -0.367  19.092
  391   1HH2  ARG  70          1HH2      ARG  70  -7.200  -0.807  15.660
  392   2HH2  ARG  70          2HH2      ARG  70  -7.739  -1.492  17.156
  393    H    GLU  71           H        GLU  71  -2.369   6.968  17.907
  394    HA   GLU  71           HA       GLU  71  -4.304   9.181  17.789
  395   1HB   GLU  71          1HB       GLU  71  -3.202   8.447  19.926
  396   2HB   GLU  71          2HB       GLU  71  -1.668   9.029  19.279
  397   1HG   GLU  71          1HG       GLU  71  -2.599  11.289  19.057
  398   2HG   GLU  71          2HG       GLU  71  -4.160  10.719  19.645
  399    H    ASP  72           H        ASP  72  -0.991   8.514  16.747
  400    HA   ASP  72           HA       ASP  72  -1.155  10.711  14.816
  401   1HB   ASP  72          1HB       ASP  72  -0.404  11.737  17.007
  402   2HB   ASP  72          2HB       ASP  72   1.055  10.757  16.871
  403    HA   PRO  73           HA       PRO  73   1.375   7.158  13.332
  404   1HB   PRO  73          1HB       PRO  73   1.036   7.567  10.643
  405   2HB   PRO  73          2HB       PRO  73  -0.159   6.743  11.663
  406   1HG   PRO  73          1HG       PRO  73  -0.115   9.574  10.703
  407   2HG   PRO  73          2HG       PRO  73  -1.473   8.442  10.800
  408   1HD   PRO  73          1HD       PRO  73  -1.047  10.399  12.653
  409   2HD   PRO  73          2HD       PRO  73  -1.821   8.855  13.064
  410    H    ASP  74           H        ASP  74   1.771  10.556  12.583
  411    HA   ASP  74           HA       ASP  74   4.344  10.164  11.230
  412   1HB   ASP  74          1HB       ASP  74   2.823  12.607  12.157
  413   2HB   ASP  74          2HB       ASP  74   4.434  12.708  11.446
  414    H    SER  75           H        SER  75   3.242  10.664  14.501
  415    HA   SER  75           HA       SER  75   5.771  11.683  15.516
  416   1HB   SER  75          1HB       SER  75   3.373  10.446  16.895
  417   2HB   SER  75          2HB       SER  75   4.768  11.099  17.748
  418    HG   SER  75           HG       SER  75   4.174  12.971  16.123
  419    H    VAL  76           H        VAL  76   5.400   8.900  14.049
  420    HA   VAL  76           HA       VAL  76   7.045   7.343  16.018
  421    HB   VAL  76           HB       VAL  76   5.322   6.005  13.939
  422   1HG1  VAL  76          1HG1      VAL  76   7.121   4.889  15.504
  423   2HG1  VAL  76          2HG1      VAL  76   5.547   4.113  15.310
  424   3HG1  VAL  76          3HG1      VAL  76   5.885   5.068  16.754
  425   1HG2  VAL  76          1HG2      VAL  76   4.446   7.193  16.576
  426   2HG2  VAL  76          2HG2      VAL  76   3.594   5.839  15.836
  427   3HG2  VAL  76          3HG2      VAL  76   3.699   7.381  14.989
  428    HA   PRO  77           HA       PRO  77   9.772   8.220  12.382
  429   1HB   PRO  77          1HB       PRO  77  11.668   6.867  14.276
  430   2HB   PRO  77          2HB       PRO  77  11.896   8.345  13.323
  431   1HG   PRO  77          1HG       PRO  77  11.413   8.452  15.940
  432   2HG   PRO  77          2HG       PRO  77  10.722   9.648  14.830
  433   1HD   PRO  77          1HD       PRO  77   9.380   7.323  16.186
  434   2HD   PRO  77          2HD       PRO  77   8.728   8.929  15.783
  435    HA   PRO  78           HA       PRO  78   9.780   4.099  10.613
  436   1HB   PRO  78          1HB       PRO  78  11.718   4.332   8.713
  437   2HB   PRO  78          2HB       PRO  78  10.155   5.153   8.581
  438   1HG   PRO  78          1HG       PRO  78  12.794   6.234   9.493
  439   2HG   PRO  78          2HG       PRO  78  11.600   6.964   8.408
  440   1HD   PRO  78          1HD       PRO  78  11.809   7.642  11.058
  441   2HD   PRO  78          2HD       PRO  78  10.275   7.716  10.167
  442    H    ILE  79           H        ILE  79  11.315   2.233  10.131
  443    HA   ILE  79           HA       ILE  79  13.489   2.134  12.203
  444    HB   ILE  79           HB       ILE  79  13.176  -0.394  11.874
  445   1HG1  ILE  79          1HG1      ILE  79  10.504   0.452  10.732
  446   2HG1  ILE  79          2HG1      ILE  79  11.865   0.047   9.687
  447   1HG2  ILE  79          1HG2      ILE  79  11.139   1.464  13.097
  448   2HG2  ILE  79          2HG2      ILE  79  12.346   0.458  13.898
  449   3HG2  ILE  79          3HG2      ILE  79  10.914  -0.282  13.185
  450   1HD1  ILE  79          1HD1      ILE  79  12.044  -2.158  10.824
  451   2HD1  ILE  79          2HD1      ILE  79  10.484  -1.937  10.030
  452   3HD1  ILE  79          3HD1      ILE  79  10.616  -1.755  11.779
  453    H    ASP  80           H        ASP  80  15.350   0.663  11.565
  454    HA   ASP  80           HA       ASP  80  16.182   1.327   8.795
  455   1HB   ASP  80          1HB       ASP  80  17.840   1.793  10.463
  456   2HB   ASP  80          2HB       ASP  80  17.662   0.198  11.190
  457    H    VAL  81           H        VAL  81  16.520  -0.224   7.238
  458    HA   VAL  81           HA       VAL  81  16.168  -3.099   7.968
  459    HB   VAL  81           HB       VAL  81  14.471  -1.466   6.075
  460   1HG1  VAL  81          1HG1      VAL  81  13.572  -3.690   5.248
  461   2HG1  VAL  81          2HG1      VAL  81  15.002  -4.443   5.947
  462   3HG1  VAL  81          3HG1      VAL  81  15.173  -3.264   4.647
  463   1HG2  VAL  81          1HG2      VAL  81  12.670  -2.779   7.208
  464   2HG2  VAL  81          2HG2      VAL  81  13.629  -1.823   8.337
  465   3HG2  VAL  81          3HG2      VAL  81  13.904  -3.560   8.198
  466    H    LEU  82           H        LEU  82  17.416  -4.467   6.751
  467    HA   LEU  82           HA       LEU  82  19.393  -3.219   4.952
  468   1HB   LEU  82          1HB       LEU  82  19.098  -6.119   5.784
  469   2HB   LEU  82          2HB       LEU  82  20.507  -5.390   5.018
  470    HG   LEU  82           HG       LEU  82  19.476  -4.281   7.636
  471   1HD1  LEU  82          1HD1      LEU  82  21.440  -6.570   7.352
  472   2HD1  LEU  82          2HD1      LEU  82  19.780  -6.737   7.923
  473   3HD1  LEU  82          3HD1      LEU  82  20.942  -5.793   8.855
  474   1HD2  LEU  82          1HD2      LEU  82  21.187  -3.003   6.429
  475   2HD2  LEU  82          2HD2      LEU  82  22.207  -4.437   6.326
  476   3HD2  LEU  82          3HD2      LEU  82  21.878  -3.699   7.893
  477    H    TRP  83           H        TRP  83  19.132  -3.183   2.794
  478    HA   TRP  83           HA       TRP  83  17.050  -4.919   1.541
  479   1HB   TRP  83          1HB       TRP  83  16.851  -2.482   1.244
  480   2HB   TRP  83          2HB       TRP  83  18.475  -2.417   0.600
  481    HD1  TRP  83           HD1      TRP  83  16.547  -5.389  -0.688
  482    HE1  TRP  83           HE1      TRP  83  15.826  -4.924  -3.118
  483    HE3  TRP  83           HE3      TRP  83  17.630  -0.417  -0.978
  484    HZ2  TRP  83           HZ2      TRP  83  15.732  -2.715  -4.953
  485    HZ3  TRP  83           HZ3      TRP  83  17.226   0.845  -3.079
  486    HH2  TRP  83           HH2      TRP  83  16.287  -0.303  -5.061
  487    H    ILE  84           H        ILE  84  17.965  -6.790   0.732
  488    HA   ILE  84           HA       ILE  84  20.583  -6.566  -0.730
  489    HB   ILE  84           HB       ILE  84  19.680  -8.931   0.943
  490   1HG1  ILE  84          1HG1      ILE  84  21.650  -6.712   1.566
  491   2HG1  ILE  84          2HG1      ILE  84  20.114  -6.989   2.385
  492   1HG2  ILE  84          1HG2      ILE  84  21.296  -9.292  -0.997
  493   2HG2  ILE  84          2HG2      ILE  84  21.915  -9.754   0.586
  494   3HG2  ILE  84          3HG2      ILE  84  22.420  -8.232  -0.147
  495   1HD1  ILE  84          1HD1      ILE  84  20.984  -9.311   2.960
  496   2HD1  ILE  84          2HD1      ILE  84  21.798  -7.974   3.772
  497   3HD1  ILE  84          3HD1      ILE  84  22.562  -8.766   2.394
  498    H    LYS  85           H        LYS  85  20.763  -7.798  -2.601
  499    HA   LYS  85           HA       LYS  85  18.208  -8.975  -3.638
  500   1HB   LYS  85          1HB       LYS  85  20.523  -7.531  -4.909
  501   2HB   LYS  85          2HB       LYS  85  19.611  -8.684  -5.882
  502   1HG   LYS  85          1HG       LYS  85  17.546  -7.492  -5.426
  503   2HG   LYS  85          2HG       LYS  85  18.399  -6.393  -4.342
  504   1HD   LYS  85          1HD       LYS  85  19.563  -5.347  -6.101
  505   2HD   LYS  85          2HD       LYS  85  19.259  -6.685  -7.209
  506   1HE   LYS  85          1HE       LYS  85  17.866  -4.502  -7.486
  507   2HE   LYS  85          2HE       LYS  85  17.025  -6.051  -7.560
  508   1HZ   LYS  85          1HZ       LYS  85  15.821  -4.648  -6.102
  509   2HZ   LYS  85          2HZ       LYS  85  17.222  -4.217  -5.241
  510   3HZ   LYS  85          3HZ       LYS  85  16.610  -5.798  -5.136
  511    H    GLY  86           H        GLY  86  18.382 -10.908  -4.928
  512   1HA   GLY  86          1HA       GLY  86  20.513 -12.723  -3.919
  513   2HA   GLY  86          2HA       GLY  86  18.982 -13.230  -4.622
  514    H    ALA  87           H        ALA  87  20.631 -14.632  -5.802
  515    HA   ALA  87           HA       ALA  87  22.338 -13.483  -7.805
  516   1HB   ALA  87          1HB       ALA  87  22.860 -15.694  -7.166
  517   2HB   ALA  87          2HB       ALA  87  22.160 -15.885  -8.774
  518   3HB   ALA  87          3HB       ALA  87  21.192 -16.236  -7.341
  519    H    GLN  88           H        GLN  88  18.951 -13.615  -7.684
  520    HA   GLN  88           HA       GLN  88  18.798 -13.295 -10.668
  521   1HB   GLN  88          1HB       GLN  88  16.654 -14.574  -8.959
  522   2HB   GLN  88          2HB       GLN  88  16.743 -14.522 -10.722
  523   1HG   GLN  88          1HG       GLN  88  18.965 -15.775 -10.500
  524   2HG   GLN  88          2HG       GLN  88  18.522 -16.056  -8.816
  525   1HE2  GLN  88          1HE2      GLN  88  18.649 -18.420  -9.851
  526   2HE2  GLN  88          2HE2      GLN  88  17.178 -19.023 -10.437
  527    H    GLY  89           H        GLY  89  19.016 -11.234  -8.565
  528   1HA   GLY  89          1HA       GLY  89  18.101  -9.083  -8.327
  529   2HA   GLY  89          2HA       GLY  89  16.897  -9.514  -9.527
  530    H    GLY  90           H        GLY  90  16.397 -11.941  -7.534
  531   1HA   GLY  90          1HA       GLY  90  13.991 -11.092  -6.453
  532   2HA   GLY  90          2HA       GLY  90  14.962 -12.365  -5.728
  533    H    ASP  91           H        ASP  91  13.742  -9.275  -5.289
  534    HA   ASP  91           HA       ASP  91  15.797  -8.251  -3.510
  535   1HB   ASP  91          1HB       ASP  91  12.951  -7.422  -4.098
  536   2HB   ASP  91          2HB       ASP  91  13.937  -6.611  -2.897
  537    H    TYR  92           H        TYR  92  15.962  -8.594  -1.352
  538    HA   TYR  92           HA       TYR  92  13.705  -9.959   0.083
  539   1HB   TYR  92          1HB       TYR  92  16.679 -10.528   0.329
  540   2HB   TYR  92          2HB       TYR  92  15.415 -11.267   1.312
  541    HD1  TYR  92           HD1      TYR  92  13.752 -12.804   0.276
  542    HD2  TYR  92           HD2      TYR  92  17.039 -11.200  -1.978
  543    HE1  TYR  92           HE1      TYR  92  13.376 -14.504  -1.484
  544    HE2  TYR  92           HE2      TYR  92  16.660 -12.898  -3.733
  545    HH   TYR  92           HH       TYR  92  15.625 -14.929  -4.136
  546    H    PHE  93           H        PHE  93  13.107  -8.816   1.887
  547    HA   PHE  93           HA       PHE  93  14.904  -6.625   2.804
  548   1HB   PHE  93          1HB       PHE  93  11.943  -7.098   3.278
  549   2HB   PHE  93          2HB       PHE  93  12.856  -5.699   3.818
  550    HD1  PHE  93           HD1      PHE  93  11.078  -7.207   1.065
  551    HD2  PHE  93           HD2      PHE  93  14.009  -4.221   2.058
  552    HE1  PHE  93           HE1      PHE  93  10.755  -6.150  -1.150
  553    HE2  PHE  93           HE2      PHE  93  13.681  -3.173  -0.159
  554    HZ   PHE  93           HZ       PHE  93  12.056  -4.133  -1.762
  555    H    TYR  94           H        TYR  94  16.107  -7.102   4.519
  556    HA   TYR  94           HA       TYR  94  15.128  -9.089   6.529
  557   1HB   TYR  94          1HB       TYR  94  17.800  -8.191   5.520
  558   2HB   TYR  94          2HB       TYR  94  17.721  -8.593   7.233
  559    HD1  TYR  94           HD1      TYR  94  17.357 -10.837   7.989
  560    HD2  TYR  94           HD2      TYR  94  17.265  -9.886   3.804
  561    HE1  TYR  94           HE1      TYR  94  17.430 -13.252   7.431
  562    HE2  TYR  94           HE2      TYR  94  17.340 -12.297   3.253
  563    HH   TYR  94           HH       TYR  94  17.533 -14.768   5.817
  564    H    SER  95           H        SER  95  14.644  -8.391   8.576
  565    HA   SER  95           HA       SER  95  15.416  -5.587   9.342
  566   1HB   SER  95          1HB       SER  95  12.869  -6.245   8.755
  567   2HB   SER  95          2HB       SER  95  12.886  -6.727  10.443
  568    HG   SER  95           HG       SER  95  13.060  -4.725  11.039
  569    H    PHE  96           H        PHE  96  16.348  -5.421  11.303
  570    HA   PHE  96           HA       PHE  96  16.177  -7.711  13.227
  571   1HB   PHE  96          1HB       PHE  96  18.640  -6.221  12.288
  572   2HB   PHE  96          2HB       PHE  96  18.582  -7.152  13.784
  573    HD1  PHE  96           HD1      PHE  96  19.099  -7.310  10.258
  574    HD2  PHE  96           HD2      PHE  96  17.771  -9.611  13.613
  575    HE1  PHE  96           HE1      PHE  96  19.551  -9.386   8.999
  576    HE2  PHE  96           HE2      PHE  96  18.206 -11.703  12.352
  577    HZ   PHE  96           HZ       PHE  96  19.098 -11.589  10.042
  578    H    GLY  97           H        GLY  97  14.695  -6.405  14.391
  579   1HA   GLY  97          1HA       GLY  97  15.094  -5.040  16.572
  580   2HA   GLY  97          2HA       GLY  97  15.662  -3.795  15.460
  581    H    GLY  98           H        GLY  98  13.839  -2.463  16.256
  582   1HA   GLY  98          1HA       GLY  98  11.608  -1.674  16.160
  583   2HA   GLY  98          2HA       GLY  98  11.708  -2.249  14.500
  584    H    CYS  99           H        CYS  99  12.012  -4.543  17.115
  585    HA   CYS  99           HA       CYS  99   9.914  -6.183  16.095
  586   1HB   CYS  99          1HB       CYS  99  10.795  -6.341  18.971
  587   2HB   CYS  99          2HB       CYS  99  10.428  -7.648  17.843
  588    HG   CYS  99           HG       CYS  99  12.722  -7.414  16.783
  589    H    HIS 100           H        HIS 100   9.971  -4.259  19.130
  590    HA   HIS 100           HA       HIS 100   7.264  -4.667  19.812
  591   1HB   HIS 100          1HB       HIS 100   9.222  -2.443  20.365
  592   2HB   HIS 100          2HB       HIS 100   7.555  -2.312  20.920
  593    HD1  HIS 100           HD1      HIS 100  10.519  -4.692  21.181
  594    HD2  HIS 100           HD2      HIS 100   7.034  -3.738  23.263
  595    HE1  HIS 100           HE1      HIS 100  10.572  -6.042  23.325
  596    H    ARG 101           H        ARG 101   8.693  -2.231  17.640
  597    HA   ARG 101           HA       ARG 101   6.205  -0.847  17.204
  598   1HB   ARG 101          1HB       ARG 101   8.772  -0.980  15.608
  599   2HB   ARG 101          2HB       ARG 101   7.391  -0.007  15.104
  600   1HG   ARG 101          1HG       ARG 101   7.444   1.120  17.348
  601   2HG   ARG 101          2HG       ARG 101   8.912   0.221  17.721
  602   1HD   ARG 101          1HD       ARG 101   8.758   1.882  15.210
  603   2HD   ARG 101          2HD       ARG 101   9.119   2.644  16.758
  604    HE   ARG 101           HE       ARG 101  10.779   0.300  16.150
  605   1HH1  ARG 101          1HH1      ARG 101  10.316   3.712  15.933
  606   2HH1  ARG 101          2HH1      ARG 101  12.004   4.065  15.780
  607   1HH2  ARG 101          1HH2      ARG 101  12.987   0.745  15.955
  608   2HH2  ARG 101          2HH2      ARG 101  13.515   2.386  15.792
  609    H    TYR 102           H        TYR 102   7.667  -3.706  15.749
  610    HA   TYR 102           HA       TYR 102   5.919  -3.841  13.467
  611   1HB   TYR 102          1HB       TYR 102   7.895  -5.197  13.428
  612   2HB   TYR 102          2HB       TYR 102   7.508  -5.933  14.978
  613    HD1  TYR 102           HD1      TYR 102   6.876  -6.010  11.369
  614    HD2  TYR 102           HD2      TYR 102   5.655  -7.528  15.192
  615    HE1  TYR 102           HE1      TYR 102   5.650  -7.853  10.247
  616    HE2  TYR 102           HE2      TYR 102   4.421  -9.360  14.078
  617    HH   TYR 102           HH       TYR 102   4.662  -9.885  10.601
  618    H    ALA 103           H        ALA 103   5.736  -5.168  16.762
  619    HA   ALA 103           HA       ALA 103   3.314  -6.634  16.476
  620   1HB   ALA 103          1HB       ALA 103   3.076  -6.166  18.977
  621   2HB   ALA 103          2HB       ALA 103   4.556  -5.216  18.842
  622   3HB   ALA 103          3HB       ALA 103   4.580  -6.942  18.480
  623    H    ALA 104           H        ALA 104   3.872  -3.200  17.241
  624    HA   ALA 104           HA       ALA 104   1.117  -2.567  17.732
  625   1HB   ALA 104          1HB       ALA 104   2.717  -0.974  18.482
  626   2HB   ALA 104          2HB       ALA 104   1.904  -0.193  17.126
  627   3HB   ALA 104          3HB       ALA 104   3.502  -0.905  16.904
  628    H    TYR 105           H        TYR 105   3.111  -2.393  14.771
  629    HA   TYR 105           HA       TYR 105   0.973  -1.369  13.125
  630   1HB   TYR 105          1HB       TYR 105   3.716  -2.492  12.715
  631   2HB   TYR 105          2HB       TYR 105   2.636  -2.537  11.330
  632    HD1  TYR 105           HD1      TYR 105   1.683  -0.440  10.401
  633    HD2  TYR 105           HD2      TYR 105   4.605  -0.410  13.547
  634    HE1  TYR 105           HE1      TYR 105   2.132   1.959   9.961
  635    HE2  TYR 105           HE2      TYR 105   5.055   1.988  13.108
  636    HH   TYR 105           HH       TYR 105   3.497   3.973  11.983
  637    H    GLN 106           H        GLN 106   2.225  -4.639  13.783
  638    HA   GLN 106           HA       GLN 106   0.484  -5.977  11.943
  639   1HB   GLN 106          1HB       GLN 106   2.422  -7.143  12.661
  640   2HB   GLN 106          2HB       GLN 106   2.086  -6.834  14.356
  641   1HG   GLN 106          1HG       GLN 106   0.095  -8.381  12.719
  642   2HG   GLN 106          2HG       GLN 106   1.540  -9.204  13.303
  643   1HE2  GLN 106          1HE2      GLN 106  -0.498 -10.336  14.508
  644   2HE2  GLN 106          2HE2      GLN 106  -0.825  -9.705  16.048
  645    H    GLN 107           H        GLN 107   0.283  -5.130  15.364
  646    HA   GLN 107           HA       GLN 107  -2.137  -6.526  15.959
  647   1HB   GLN 107          1HB       GLN 107  -0.639  -5.561  17.687
  648   2HB   GLN 107          2HB       GLN 107  -1.095  -3.941  17.165
  649   1HG   GLN 107          1HG       GLN 107  -3.200  -5.944  17.989
  650   2HG   GLN 107          2HG       GLN 107  -2.346  -4.990  19.199
  651   1HE2  GLN 107          1HE2      GLN 107  -5.201  -4.958  17.645
  652   2HE2  GLN 107          2HE2      GLN 107  -5.443  -3.289  17.455
  653    H    LEU 108           H        LEU 108  -1.538  -3.237  14.737
  654    HA   LEU 108           HA       LEU 108  -4.371  -2.564  14.675
  655   1HB   LEU 108          1HB       LEU 108  -1.932  -1.270  13.431
  656   2HB   LEU 108          2HB       LEU 108  -3.553  -0.583  13.344
  657    HG   LEU 108           HG       LEU 108  -2.141  -1.280  15.940
  658   1HD1  LEU 108          1HD1      LEU 108  -1.546   1.011  16.183
  659   2HD1  LEU 108          2HD1      LEU 108  -2.555   1.496  14.819
  660   3HD1  LEU 108          3HD1      LEU 108  -1.074   0.583  14.539
  661   1HD2  LEU 108          1HD2      LEU 108  -4.809  -0.100  15.229
  662   2HD2  LEU 108          2HD2      LEU 108  -3.994   0.516  16.663
  663   3HD2  LEU 108          3HD2      LEU 108  -4.375  -1.196  16.539
  664    H    GLN 109           H        GLN 109  -2.933  -4.869  13.040
  665    HA   GLN 109           HA       GLN 109  -3.170  -5.835  10.911
  666   1HB   GLN 109          1HB       GLN 109  -5.516  -5.812  11.991
  667   2HB   GLN 109          2HB       GLN 109  -5.869  -4.479  10.893
  668   1HG   GLN 109          1HG       GLN 109  -5.346  -5.878   8.962
  669   2HG   GLN 109          2HG       GLN 109  -4.843  -7.198  10.018
  670   1HE2  GLN 109          1HE2      GLN 109  -7.296  -6.027  11.764
  671   2HE2  GLN 109          2HE2      GLN 109  -8.607  -6.870  11.094
  672    H    ARG 110           H        ARG 110  -1.725  -3.465  10.675
  673    HA   ARG 110           HA       ARG 110  -2.938  -1.775   8.614
  674   1HB   ARG 110          1HB       ARG 110  -0.122  -1.947   9.723
  675   2HB   ARG 110          2HB       ARG 110  -0.637  -0.754   8.534
  676   1HG   ARG 110          1HG       ARG 110  -2.173  -1.050  11.118
  677   2HG   ARG 110          2HG       ARG 110  -0.670  -0.136  11.101
  678   1HD   ARG 110          1HD       ARG 110  -3.106   0.405   9.374
  679   2HD   ARG 110          2HD       ARG 110  -2.549   1.380  10.731
  680    HE   ARG 110           HE       ARG 110  -1.400   1.367   8.040
  681   1HH1  ARG 110          1HH1      ARG 110  -0.958   1.969  11.406
  682   2HH1  ARG 110          2HH1      ARG 110   0.325   3.108  11.169
  683   1HH2  ARG 110          1HH2      ARG 110   0.272   2.851   7.711
  684   2HH2  ARG 110          2HH2      ARG 110   1.022   3.607   9.077
  685    H    GLU 111           H        GLU 111  -1.970  -1.588   6.455
  686    HA   GLU 111           HA       GLU 111  -1.458  -4.248   5.332
  687   1HB   GLU 111          1HB       GLU 111  -1.924  -1.501   4.196
  688   2HB   GLU 111          2HB       GLU 111  -1.251  -2.762   3.162
  689   1HG   GLU 111          1HG       GLU 111  -3.752  -3.195   4.809
  690   2HG   GLU 111          2HG       GLU 111  -3.801  -2.546   3.174
  691    H    THR 112           H        THR 112   0.400  -1.191   5.656
  692    HA   THR 112           HA       THR 112   2.897  -2.804   5.167
  693    HB   THR 112           HB       THR 112   3.795  -0.790   3.965
  694    HG1  THR 112           HG1      THR 112   1.100   0.011   4.268
  695   1HG2  THR 112          1HG2      THR 112   1.769  -2.665   2.999
  696   2HG2  THR 112          2HG2      THR 112   3.209  -2.060   2.183
  697   3HG2  THR 112          3HG2      THR 112   1.711  -1.142   2.116
  698    H    ILE 113           H        ILE 113   4.859  -1.294   5.756
  699    HA   ILE 113           HA       ILE 113   4.230   0.364   8.156
  700    HB   ILE 113           HB       ILE 113   4.826  -1.985   8.861
  701   1HG1  ILE 113          1HG1      ILE 113   6.853   0.116   9.666
  702   2HG1  ILE 113          2HG1      ILE 113   5.192   0.091  10.261
  703   1HG2  ILE 113          1HG2      ILE 113   7.630  -1.246   7.997
  704   2HG2  ILE 113          2HG2      ILE 113   6.564  -2.191   6.961
  705   3HG2  ILE 113          3HG2      ILE 113   7.036  -2.814   8.542
  706   1HD1  ILE 113          1HD1      ILE 113   7.357  -1.983  10.685
  707   2HD1  ILE 113          2HD1      ILE 113   5.657  -2.307  11.024
  708   3HD1  ILE 113          3HD1      ILE 113   6.508  -1.042  11.911
  709    HA   PRO 114           HA       PRO 114   7.382   2.862   6.113
  710   1HB   PRO 114          1HB       PRO 114   7.954   4.237   8.668
  711   2HB   PRO 114          2HB       PRO 114   7.269   4.900   7.176
  712   1HG   PRO 114          1HG       PRO 114   5.813   4.559   9.433
  713   2HG   PRO 114          2HG       PRO 114   5.111   4.437   7.811
  714   1HD   PRO 114          1HD       PRO 114   5.905   2.236   9.702
  715   2HD   PRO 114          2HD       PRO 114   4.488   2.363   8.646
  716    H    ALA 115           H        ALA 115   9.537   2.467   5.796
  717    HA   ALA 115           HA       ALA 115  11.302   1.718   8.025
  718   1HB   ALA 115          1HB       ALA 115  10.276  -0.443   7.424
  719   2HB   ALA 115          2HB       ALA 115  11.983  -0.418   6.979
  720   3HB   ALA 115          3HB       ALA 115  10.745  -0.202   5.741
  721    H    LYS 116           H        LYS 116  13.338   2.441   7.598
  722    HA   LYS 116           HA       LYS 116  13.834   3.822   5.089
  723   1HB   LYS 116          1HB       LYS 116  14.719   4.356   7.520
  724   2HB   LYS 116          2HB       LYS 116  16.001   3.226   7.105
  725   1HG   LYS 116          1HG       LYS 116  16.512   4.559   5.091
  726   2HG   LYS 116          2HG       LYS 116  15.209   5.672   5.509
  727   1HD   LYS 116          1HD       LYS 116  16.340   6.422   7.469
  728   2HD   LYS 116          2HD       LYS 116  17.488   5.085   7.406
  729   1HE   LYS 116          1HE       LYS 116  17.281   7.159   5.212
  730   2HE   LYS 116          2HE       LYS 116  18.367   7.339   6.589
  731   1HZ   LYS 116          1HZ       LYS 116  19.245   5.081   5.984
  732   2HZ   LYS 116          2HZ       LYS 116  19.613   6.327   4.889
  733   3HZ   LYS 116          3HZ       LYS 116  18.383   5.211   4.530
  734    H    LEU 117           H        LEU 117  14.506   2.774   3.290
  735    HA   LEU 117           HA       LEU 117  15.588   0.050   3.476
  736   1HB   LEU 117          1HB       LEU 117  15.408   1.835   1.031
  737   2HB   LEU 117          2HB       LEU 117  15.637   0.089   1.047
  738    HG   LEU 117           HG       LEU 117  13.174   1.597   1.986
  739   1HD1  LEU 117          1HD1      LEU 117  12.160   0.077   0.144
  740   2HD1  LEU 117          2HD1      LEU 117  13.822  -0.140  -0.400
  741   3HD1  LEU 117          3HD1      LEU 117  13.109   1.470  -0.380
  742   1HD2  LEU 117          1HD2      LEU 117  13.990  -1.297   2.236
  743   2HD2  LEU 117          2HD2      LEU 117  12.287  -0.853   2.130
  744   3HD2  LEU 117          3HD2      LEU 117  13.272  -0.244   3.456
  745    H    VAL 118           H        VAL 118  17.717  -0.529   3.303
  746    HA   VAL 118           HA       VAL 118  19.735   1.595   2.710
  747    HB   VAL 118           HB       VAL 118  19.675  -0.292   5.085
  748   1HG1  VAL 118          1HG1      VAL 118  21.851   0.872   5.666
  749   2HG1  VAL 118          2HG1      VAL 118  21.877   1.484   4.013
  750   3HG1  VAL 118          3HG1      VAL 118  21.942  -0.254   4.312
  751   1HG2  VAL 118          1HG2      VAL 118  19.681   1.754   6.400
  752   2HG2  VAL 118          2HG2      VAL 118  18.350   1.828   5.246
  753   3HG2  VAL 118          3HG2      VAL 118  19.833   2.733   4.942
  754    H    GLN 119           H        GLN 119  20.514   0.740   0.795
  755    HA   GLN 119           HA       GLN 119  20.645  -1.912  -0.026
  756   1HB   GLN 119          1HB       GLN 119  22.677   0.293  -0.503
  757   2HB   GLN 119          2HB       GLN 119  22.666  -1.239  -1.375
  758   1HG   GLN 119          1HG       GLN 119  21.471   0.308  -2.756
  759   2HG   GLN 119          2HG       GLN 119  20.252  -0.710  -2.000
  760   1HE2  GLN 119          1HE2      GLN 119  18.537   0.855  -1.855
  761   2HE2  GLN 119          2HE2      GLN 119  18.663   2.286  -0.954
  762    H    SER 120           H        SER 120  21.768  -3.684   0.638
  763    HA   SER 120           HA       SER 120  24.240  -3.314   2.286
  764   1HB   SER 120          1HB       SER 120  21.760  -4.875   2.982
  765   2HB   SER 120          2HB       SER 120  23.320  -5.349   3.635
  766    HG   SER 120           HG       SER 120  21.982  -2.875   3.922
  767    H    THR 121           H        THR 121  25.130  -5.755   2.633
  768    HA   THR 121           HA       THR 121  24.970  -7.169  -0.011
  769    HB   THR 121           HB       THR 121  27.463  -7.648   0.405
  770    HG1  THR 121           HG1      THR 121  26.831  -5.857   2.421
  771   1HG2  THR 121          1HG2      THR 121  28.125  -5.409  -0.513
  772   2HG2  THR 121          2HG2      THR 121  26.484  -4.845  -0.193
  773   3HG2  THR 121          3HG2      THR 121  26.761  -6.141  -1.358
  774    H    LEU 122           H        LEU 122  25.731  -9.462   0.158
  775    HA   LEU 122           HA       LEU 122  24.397 -10.823   2.250
  776   1HB   LEU 122          1HB       LEU 122  25.129 -11.818   0.019
  777   2HB   LEU 122          2HB       LEU 122  26.745 -11.952   0.704
  778    HG   LEU 122           HG       LEU 122  25.755 -13.313   2.586
  779   1HD1  LEU 122          1HD1      LEU 122  23.271 -12.823   0.964
  780   2HD1  LEU 122          2HD1      LEU 122  23.469 -12.899   2.713
  781   3HD1  LEU 122          3HD1      LEU 122  23.448 -14.380   1.768
  782   1HD2  LEU 122          1HD2      LEU 122  26.845 -14.521   0.842
  783   2HD2  LEU 122          2HD2      LEU 122  25.514 -14.238  -0.282
  784   3HD2  LEU 122          3HD2      LEU 122  25.297 -15.336   1.082
  785    H    SER 123           H        SER 123  27.778  -9.746   2.040
  786    HA   SER 123           HA       SER 123  28.853 -11.149   4.237
  787   1HB   SER 123          1HB       SER 123  29.390  -8.353   3.205
  788   2HB   SER 123          2HB       SER 123  30.331  -9.086   4.505
  789    HG   SER 123           HG       SER 123  29.947 -10.210   1.931
  790    H    ASP 124           H        ASP 124  27.044  -8.061   4.208
  791    HA   ASP 124           HA       ASP 124  27.182  -7.496   6.971
  792   1HB   ASP 124          1HB       ASP 124  25.180  -6.927   4.793
  793   2HB   ASP 124          2HB       ASP 124  24.802  -6.487   6.446
  794    H    LEU 125           H        LEU 125  24.907  -9.550   5.131
  795    HA   LEU 125           HA       LEU 125  23.316 -10.257   7.396
  796   1HB   LEU 125          1HB       LEU 125  23.114 -10.741   4.698
  797   2HB   LEU 125          2HB       LEU 125  23.586 -12.333   5.270
  798    HG   LEU 125           HG       LEU 125  21.723 -12.209   6.958
  799   1HD1  LEU 125          1HD1      LEU 125  19.896 -10.446   6.022
  800   2HD1  LEU 125          2HD1      LEU 125  21.359  -9.549   5.633
  801   3HD1  LEU 125          3HD1      LEU 125  21.036 -10.032   7.294
  802   1HD2  LEU 125          1HD2      LEU 125  21.546 -13.371   4.754
  803   2HD2  LEU 125          2HD2      LEU 125  20.849 -11.901   4.074
  804   3HD2  LEU 125          3HD2      LEU 125  19.997 -12.774   5.347
  805    H    ARG 126           H        ARG 126  26.377 -11.567   6.177
  806    HA   ARG 126           HA       ARG 126  26.353 -13.952   7.794
  807   1HB   ARG 126          1HB       ARG 126  27.954 -13.912   6.046
  808   2HB   ARG 126          2HB       ARG 126  28.545 -12.318   6.497
  809   1HG   ARG 126          1HG       ARG 126  29.851 -13.135   8.247
  810   2HG   ARG 126          2HG       ARG 126  28.823 -14.538   8.501
  811   1HD   ARG 126          1HD       ARG 126  30.948 -15.239   7.520
  812   2HD   ARG 126          2HD       ARG 126  29.648 -15.499   6.358
  813    HE   ARG 126           HE       ARG 126  30.792 -12.900   5.949
  814   1HH1  ARG 126          1HH1      ARG 126  31.398 -16.277   5.611
  815   2HH1  ARG 126          2HH1      ARG 126  32.464 -16.086   4.259
  816   1HH2  ARG 126          1HH2      ARG 126  32.181 -12.631   4.186
  817   2HH2  ARG 126          2HH2      ARG 126  32.907 -14.022   3.452
  818    H    VAL 127           H        VAL 127  27.034 -10.589   8.525
  819    HA   VAL 127           HA       VAL 127  28.451 -11.059  10.988
  820    HB   VAL 127           HB       VAL 127  26.729  -8.695  10.172
  821   1HG1  VAL 127          1HG1      VAL 127  28.850  -9.052  12.310
  822   2HG1  VAL 127          2HG1      VAL 127  27.136  -8.734  12.575
  823   3HG1  VAL 127          3HG1      VAL 127  28.160  -7.498  11.844
  824   1HG2  VAL 127          1HG2      VAL 127  28.557  -9.123   8.582
  825   2HG2  VAL 127          2HG2      VAL 127  29.710  -9.201   9.913
  826   3HG2  VAL 127          3HG2      VAL 127  28.901  -7.680   9.534
  827    H    TYR 128           H        TYR 128  25.048 -10.866  10.052
  828    HA   TYR 128           HA       TYR 128  24.164 -11.085  12.880
  829   1HB   TYR 128          1HB       TYR 128  22.589 -11.010  10.292
  830   2HB   TYR 128          2HB       TYR 128  21.882 -11.039  11.905
  831    HD1  TYR 128           HD1      TYR 128  23.520  -9.009   9.375
  832    HD2  TYR 128           HD2      TYR 128  22.251  -9.130  13.474
  833    HE1  TYR 128           HE1      TYR 128  23.721  -6.544   9.508
  834    HE2  TYR 128           HE2      TYR 128  22.456  -6.663  13.611
  835    HH   TYR 128           HH       TYR 128  22.886  -4.699  10.822
  836    H    LEU 129           H        LEU 129  23.909 -13.017   9.885
  837    HA   LEU 129           HA       LEU 129  23.224 -15.417  11.545
  838   1HB   LEU 129          1HB       LEU 129  22.565 -14.790   8.660
  839   2HB   LEU 129          2HB       LEU 129  22.078 -16.231   9.541
  840    HG   LEU 129           HG       LEU 129  21.221 -13.378  10.094
  841   1HD1  LEU 129          1HD1      LEU 129  19.976 -14.248   8.269
  842   2HD1  LEU 129          2HD1      LEU 129  18.939 -14.503   9.672
  843   3HD1  LEU 129          3HD1      LEU 129  19.859 -15.849   8.999
  844   1HD2  LEU 129          1HD2      LEU 129  20.898 -15.909  11.700
  845   2HD2  LEU 129          2HD2      LEU 129  19.662 -14.651  11.774
  846   3HD2  LEU 129          3HD2      LEU 129  21.317 -14.288  12.257
  847    H    GLY 130           H        GLY 130  25.949 -14.787  11.150
  848   1HA   GLY 130          1HA       GLY 130  27.058 -15.991   8.807
  849   2HA   GLY 130          2HA       GLY 130  27.931 -15.721  10.314
  850    H    ALA 131           H        ALA 131  25.007 -17.738   9.883
  851    HA   ALA 131           HA       ALA 131  26.596 -20.206  10.045
  852   1HB   ALA 131          1HB       ALA 131  25.179 -20.923  12.094
  853   2HB   ALA 131          2HB       ALA 131  24.884 -19.199  12.321
  854   3HB   ALA 131          3HB       ALA 131  26.530 -19.827  12.380
  855    H    SER 132           H        SER 132  23.260 -18.950  10.498
  856    HA   SER 132           HA       SER 132  22.247 -21.237   8.864
  857   1HB   SER 132          1HB       SER 132  20.680 -19.165  10.429
  858   2HB   SER 132          2HB       SER 132  20.060 -20.665   9.739
  859    HG   SER 132           HG       SER 132  21.471 -21.794  11.138
  860    H    THR 133           H        THR 133  23.693 -19.038   7.611
  861    HA   THR 133           HA       THR 133  21.757 -17.235   6.427
  862    HB   THR 133           HB       THR 133  24.296 -17.610   4.942
  863    HG1  THR 133           HG1      THR 133  25.294 -18.102   6.745
  864   1HG2  THR 133          1HG2      THR 133  23.475 -15.194   6.540
  865   2HG2  THR 133          2HG2      THR 133  22.656 -15.587   5.028
  866   3HG2  THR 133          3HG2      THR 133  24.391 -15.270   5.035
  867    HA   PRO 134           HA       PRO 134  20.698 -20.433   3.330
  868   1HB   PRO 134          1HB       PRO 134  18.531 -19.227   2.231
  869   2HB   PRO 134          2HB       PRO 134  18.473 -19.982   3.834
  870   1HG   PRO 134          1HG       PRO 134  18.733 -17.096   3.101
  871   2HG   PRO 134          2HG       PRO 134  17.771 -17.846   4.385
  872   1HD   PRO 134          1HD       PRO 134  20.247 -16.648   4.786
  873   2HD   PRO 134          2HD       PRO 134  19.564 -17.883   5.858
  874    H    ASP 135           H        ASP 135  19.990 -20.091   0.817
  875    HA   ASP 135           HA       ASP 135  22.081 -18.311  -0.370
  876   1HB   ASP 135          1HB       ASP 135  22.080 -20.848  -0.790
  877   2HB   ASP 135          2HB       ASP 135  20.625 -20.579  -1.748
  878    H    LEU 136           H        LEU 136  21.305 -16.499  -1.253
  879    HA   LEU 136           HA       LEU 136  18.445 -16.165  -1.787
  880   1HB   LEU 136          1HB       LEU 136  20.787 -14.300  -2.247
  881   2HB   LEU 136          2HB       LEU 136  19.089 -13.851  -2.388
  882    HG   LEU 136           HG       LEU 136  20.420 -14.887   0.132
  883   1HD1  LEU 136          1HD1      LEU 136  19.378 -12.106  -0.456
  884   2HD1  LEU 136          2HD1      LEU 136  21.067 -12.561  -0.680
  885   3HD1  LEU 136          3HD1      LEU 136  20.341 -12.624   0.927
  886   1HD2  LEU 136          1HD2      LEU 136  18.165 -13.859   1.049
  887   2HD2  LEU 136          2HD2      LEU 136  18.176 -15.490   0.391
  888   3HD2  LEU 136          3HD2      LEU 136  17.593 -14.143  -0.593
  889    H    GLN 137           H        GLN 137  17.461 -16.121  -3.747
  890    HA   GLN 137           HA       GLN 137  19.137 -16.402  -6.216
  891   1HB   GLN 137          1HB       GLN 137  16.484 -17.801  -5.844
  892   2HB   GLN 137          2HB       GLN 137  17.748 -18.136  -7.025
  893   1HG   GLN 137          1HG       GLN 137  17.900 -18.608  -4.037
  894   2HG   GLN 137          2HG       GLN 137  17.801 -19.845  -5.288
  895   1HE2  GLN 137          1HE2      GLN 137  20.047 -18.666  -3.251
  896   2HE2  GLN 137          2HE2      GLN 137  21.424 -18.718  -4.232
  897   1H5*  ATP   1          1H5*      ATP   1   9.873   2.904  19.283
  898   2H5*  ATP   1          2H5*      ATP   1  10.825   2.580  20.699
  899    H4*  ATP   1           H4*      ATP   1  11.866   4.929  19.143
  900    H3*  ATP   1           H3*      ATP   1  11.040   4.423  22.040
  901   *HO3  ATP   1          *HO3      ATP   1  13.319   4.482  20.889
  902    H2*  ATP   1           H2*      ATP   1  10.465   6.654  22.388
  903   *HO2  ATP   1          *HO2      ATP   1  12.700   6.810  21.285
  904    H1*  ATP   1           H1*      ATP   1  10.027   7.380  19.628
  905    H8   ATP   1           H8       ATP   1   7.734   8.485  19.920
  906    H2   ATP   1           H2       ATP   1   7.774   3.148  23.514
  907   1HN6  ATP   1          1HN6      ATP   1   3.913   5.339  23.723
  908   2HN6  ATP   1          2HN6      ATP   1   3.888   6.451  22.353
  Start of MODEL   15
    1   1H    GLY  17          1H        GLY  17  11.704 -15.288 -32.339
    2   2H    GLY  17          2H        GLY  17  10.278 -15.769 -33.128
    3   3H    GLY  17          3H        GLY  17  11.400 -16.935 -32.607
    4   1HA   GLY  17          1HA       GLY  17   9.666 -15.216 -30.926
    5   2HA   GLY  17          2HA       GLY  17   9.629 -16.974 -31.059
    6    H    ALA  18           H        ALA  18  10.892 -18.128 -29.652
    7    HA   ALA  18           HA       ALA  18  12.366 -16.678 -27.609
    8   1HB   ALA  18          1HB       ALA  18  12.417 -18.680 -26.441
    9   2HB   ALA  18          2HB       ALA  18  12.625 -19.656 -27.894
   10   3HB   ALA  18          3HB       ALA  18  11.042 -18.988 -27.499
   11    HA   PRO  19           HA       PRO  19  16.031 -18.999 -29.982
   12   1HB   PRO  19          1HB       PRO  19  15.033 -18.372 -32.738
   13   2HB   PRO  19          2HB       PRO  19  15.912 -19.799 -32.156
   14   1HG   PRO  19          1HG       PRO  19  13.311 -19.928 -32.669
   15   2HG   PRO  19          2HG       PRO  19  13.995 -20.763 -31.263
   16   1HD   PRO  19          1HD       PRO  19  12.459 -18.174 -31.368
   17   2HD   PRO  19          2HD       PRO  19  12.349 -19.494 -30.184
   18    H    GLU  20           H        GLU  20  17.100 -17.153 -29.137
   19    HA   GLU  20           HA       GLU  20  17.624 -14.995 -31.123
   20   1HB   GLU  20          1HB       GLU  20  16.578 -14.614 -28.309
   21   2HB   GLU  20          2HB       GLU  20  17.484 -13.348 -29.137
   22   1HG   GLU  20          1HG       GLU  20  15.036 -14.675 -30.328
   23   2HG   GLU  20          2HG       GLU  20  14.963 -13.192 -29.379
   24    H    GLY  21           H        GLY  21  19.443 -16.901 -30.782
   25   1HA   GLY  21          1HA       GLY  21  21.767 -17.021 -30.354
   26   2HA   GLY  21          2HA       GLY  21  21.646 -15.502 -29.467
   27    HA   PRO  22           HA       PRO  22  21.948 -19.137 -26.484
   28   1HB   PRO  22          1HB       PRO  22  24.418 -18.633 -25.456
   29   2HB   PRO  22          2HB       PRO  22  24.186 -19.564 -26.949
   30   1HG   PRO  22          1HG       PRO  22  24.924 -16.682 -26.610
   31   2HG   PRO  22          2HG       PRO  22  25.600 -17.890 -27.716
   32   1HD   PRO  22          1HD       PRO  22  23.718 -16.031 -28.487
   33   2HD   PRO  22          2HD       PRO  22  23.870 -17.626 -29.253
   34    H    GLY  23           H        GLY  23  20.763 -16.419 -26.268
   35   1HA   GLY  23          1HA       GLY  23  20.248 -16.202 -23.559
   36   2HA   GLY  23          2HA       GLY  23  21.717 -15.252 -23.777
   37    HA   PRO  24           HA       PRO  24  17.857 -12.798 -25.026
   38   1HB   PRO  24          1HB       PRO  24  17.607 -11.166 -22.861
   39   2HB   PRO  24          2HB       PRO  24  16.878 -12.783 -22.917
   40   1HG   PRO  24          1HG       PRO  24  19.425 -11.898 -21.615
   41   2HG   PRO  24          2HG       PRO  24  18.160 -12.968 -20.989
   42   1HD   PRO  24          1HD       PRO  24  20.505 -13.899 -22.098
   43   2HD   PRO  24          2HD       PRO  24  18.984 -14.816 -22.144
   44    H    SER  25           H        SER  25  18.703 -11.417 -26.547
   45    HA   SER  25           HA       SER  25  20.020  -8.969 -25.715
   46   1HB   SER  25          1HB       SER  25  21.647 -11.002 -27.273
   47   2HB   SER  25          2HB       SER  25  22.145  -9.349 -26.910
   48    HG   SER  25           HG       SER  25  21.362 -10.504 -24.654
   49    H    GLY  26           H        GLY  26  21.204  -8.278 -28.164
   50   1HA   GLY  26          1HA       GLY  26  20.706  -7.746 -30.416
   51   2HA   GLY  26          2HA       GLY  26  19.363  -8.888 -30.351
   52    H    GLY  27           H        GLY  27  20.122  -5.964 -28.429
   53   1HA   GLY  27          1HA       GLY  27  17.980  -4.415 -29.603
   54   2HA   GLY  27          2HA       GLY  27  17.498  -5.089 -28.046
   55    H    ALA  28           H        ALA  28  19.732  -2.886 -29.646
   56    HA   ALA  28           HA       ALA  28  21.084  -2.082 -27.204
   57   1HB   ALA  28          1HB       ALA  28  22.146  -1.795 -29.408
   58   2HB   ALA  28          2HB       ALA  28  21.979  -0.239 -28.595
   59   3HB   ALA  28          3HB       ALA  28  20.864  -0.682 -29.888
   60    H    GLN  29           H        GLN  29  18.453  -0.701 -29.178
   61    HA   GLN  29           HA       GLN  29  18.042   1.694 -27.770
   62   1HB   GLN  29          1HB       GLN  29  16.817   0.876 -29.854
   63   2HB   GLN  29          2HB       GLN  29  15.791  -0.063 -28.770
   64   1HG   GLN  29          1HG       GLN  29  14.650   2.012 -29.134
   65   2HG   GLN  29          2HG       GLN  29  15.345   2.113 -27.516
   66   1HE2  GLN  29          1HE2      GLN  29  16.813   2.600 -30.781
   67   2HE2  GLN  29          2HE2      GLN  29  17.406   4.154 -30.442
   68    H    GLY  30           H        GLY  30  15.860  -1.085 -27.265
   69   1HA   GLY  30          1HA       GLY  30  15.291  -0.199 -24.549
   70   2HA   GLY  30          2HA       GLY  30  14.669  -1.663 -25.310
   71    H    GLY  31           H        GLY  31  16.029  -1.131 -22.626
   72   1HA   GLY  31          1HA       GLY  31  17.477  -3.596 -22.464
   73   2HA   GLY  31          2HA       GLY  31  18.621  -2.257 -22.556
   74    H    SER  32           H        SER  32  17.405  -4.193 -20.339
   75    HA   SER  32           HA       SER  32  16.165  -2.604 -18.357
   76   1HB   SER  32          1HB       SER  32  16.519  -5.121 -18.309
   77   2HB   SER  32          2HB       SER  32  18.176  -4.799 -17.799
   78    HG   SER  32           HG       SER  32  15.761  -4.276 -16.462
   79    H    ILE  33           H        ILE  33  17.491  -2.239 -16.136
   80    HA   ILE  33           HA       ILE  33  20.217  -1.265 -16.535
   81    HB   ILE  33           HB       ILE  33  18.895   0.591 -17.504
   82   1HG1  ILE  33          1HG1      ILE  33  19.944   1.379 -14.773
   83   2HG1  ILE  33          2HG1      ILE  33  21.004   0.959 -16.118
   84   1HG2  ILE  33          1HG2      ILE  33  17.700   0.925 -14.744
   85   2HG2  ILE  33          2HG2      ILE  33  16.866   0.068 -16.040
   86   3HG2  ILE  33          3HG2      ILE  33  17.260   1.777 -16.224
   87   1HD1  ILE  33          1HD1      ILE  33  18.923   3.167 -16.131
   88   2HD1  ILE  33          2HD1      ILE  33  19.971   2.742 -17.484
   89   3HD1  ILE  33          3HD1      ILE  33  20.666   3.399 -16.003
   90    H    HIS  34           H        HIS  34  21.191  -0.629 -14.492
   91    HA   HIS  34           HA       HIS  34  20.483  -2.163 -12.264
   92   1HB   HIS  34          1HB       HIS  34  21.788  -0.402 -10.933
   93   2HB   HIS  34          2HB       HIS  34  22.645  -1.155 -12.279
   94    HD1  HIS  34           HD1      HIS  34  20.239   1.811 -12.037
   95    HD2  HIS  34           HD2      HIS  34  23.944   0.829 -13.675
   96    HE1  HIS  34           HE1      HIS  34  21.046   3.872 -13.269
   97    H    SER  35           H        SER  35  19.181  -1.812 -10.443
   98    HA   SER  35           HA       SER  35  16.785  -0.393 -10.692
   99   1HB   SER  35          1HB       SER  35  17.258  -2.090  -8.926
  100   2HB   SER  35          2HB       SER  35  18.276  -0.910  -8.101
  101    HG   SER  35           HG       SER  35  16.007  -1.074  -7.408
  102    H    GLY  36           H        GLY  36  16.086   1.583  -9.462
  103   1HA   GLY  36          1HA       GLY  36  17.975   3.759  -9.946
  104   2HA   GLY  36          2HA       GLY  36  16.326   3.934  -9.348
  105    H    ARG  37           H        ARG  37  19.515   4.268  -8.472
  106    HA   ARG  37           HA       ARG  37  19.551   3.278  -5.789
  107   1HB   ARG  37          1HB       ARG  37  21.049   5.533  -7.143
  108   2HB   ARG  37          2HB       ARG  37  21.356   5.050  -5.475
  109   1HG   ARG  37          1HG       ARG  37  21.785   2.719  -6.284
  110   2HG   ARG  37          2HG       ARG  37  21.609   3.300  -7.940
  111   1HD   ARG  37          1HD       ARG  37  23.465   4.905  -7.552
  112   2HD   ARG  37          2HD       ARG  37  23.660   4.263  -5.921
  113    HE   ARG  37           HE       ARG  37  23.813   2.111  -7.803
  114   1HH1  ARG  37          1HH1      ARG  37  25.482   4.907  -6.670
  115   2HH1  ARG  37          2HH1      ARG  37  27.055   4.281  -7.040
  116   1HH2  ARG  37          1HH2      ARG  37  25.857   1.278  -8.292
  117   2HH2  ARG  37          2HH2      ARG  37  27.267   2.227  -7.958
  118    H    ILE  38           H        ILE  38  17.900   3.853  -4.413
  119    HA   ILE  38           HA       ILE  38  17.551   6.758  -3.845
  120    HB   ILE  38           HB       ILE  38  15.235   4.852  -4.353
  121   1HG1  ILE  38          1HG1      ILE  38  16.422   7.118  -5.972
  122   2HG1  ILE  38          2HG1      ILE  38  16.291   5.426  -6.448
  123   1HG2  ILE  38          1HG2      ILE  38  14.908   6.708  -2.616
  124   2HG2  ILE  38          2HG2      ILE  38  13.796   6.737  -3.979
  125   3HG2  ILE  38          3HG2      ILE  38  15.156   7.856  -3.932
  126   1HD1  ILE  38          1HD1      ILE  38  13.746   5.724  -6.166
  127   2HD1  ILE  38          2HD1      ILE  38  14.492   6.494  -7.567
  128   3HD1  ILE  38          3HD1      ILE  38  14.075   7.456  -6.149
  129    H    ALA  39           H        ALA  39  18.478   6.539  -1.830
  130    HA   ALA  39           HA       ALA  39  17.444   4.444   0.020
  131   1HB   ALA  39          1HB       ALA  39  19.786   6.353   0.113
  132   2HB   ALA  39          2HB       ALA  39  19.816   4.590   0.080
  133   3HB   ALA  39          3HB       ALA  39  19.273   5.436   1.530
  134    H    ALA  40           H        ALA  40  15.385   5.284   0.530
  135    HA   ALA  40           HA       ALA  40  15.414   7.582   2.402
  136   1HB   ALA  40          1HB       ALA  40  14.874   8.273  -0.078
  137   2HB   ALA  40          2HB       ALA  40  13.873   8.900   1.230
  138   3HB   ALA  40          3HB       ALA  40  13.302   7.548   0.253
  139    H    VAL  41           H        VAL  41  12.831   7.826   3.020
  140    HA   VAL  41           HA       VAL  41  12.218   5.319   4.359
  141    HB   VAL  41           HB       VAL  41  10.607   7.874   4.102
  142   1HG1  VAL  41          1HG1      VAL  41   9.127   6.043   4.680
  143   2HG1  VAL  41          2HG1      VAL  41   9.424   6.998   6.131
  144   3HG1  VAL  41          3HG1      VAL  41  10.261   5.464   5.902
  145   1HG2  VAL  41          1HG2      VAL  41  12.544   6.834   6.181
  146   2HG2  VAL  41          2HG2      VAL  41  11.407   8.141   6.511
  147   3HG2  VAL  41          3HG2      VAL  41  12.646   8.344   5.276
  148    H    HIS  42           H        HIS  42  10.577   3.870   3.852
  149    HA   HIS  42           HA       HIS  42   8.812   4.390   1.524
  150   1HB   HIS  42          1HB       HIS  42  11.023   2.358   1.656
  151   2HB   HIS  42          2HB       HIS  42   9.567   1.965   0.746
  152    HD1  HIS  42           HD1      HIS  42   9.488   2.783  -1.596
  153    HD2  HIS  42           HD2      HIS  42  12.250   4.917   0.675
  154    HE1  HIS  42           HE1      HIS  42  10.696   4.323  -3.198
  155    H    ASN  43           H        ASN  43   6.941   3.085   1.559
  156    HA   ASN  43           HA       ASN  43   6.371   1.758   4.133
  157   1HB   ASN  43          1HB       ASN  43   4.697   2.309   1.664
  158   2HB   ASN  43          2HB       ASN  43   4.087   1.476   3.090
  159   1HD2  ASN  43          1HD2      ASN  43   2.813   3.840   2.480
  160   2HD2  ASN  43          2HD2      ASN  43   3.286   5.065   3.551
  161    H    VAL  44           H        VAL  44   7.615  -0.165   4.056
  162    HA   VAL  44           HA       VAL  44   7.424  -1.895   1.685
  163    HB   VAL  44           HB       VAL  44   9.532  -1.532   3.108
  164   1HG1  VAL  44          1HG1      VAL  44   8.274  -1.992   5.284
  165   2HG1  VAL  44          2HG1      VAL  44   9.815  -2.825   5.081
  166   3HG1  VAL  44          3HG1      VAL  44   8.303  -3.694   4.821
  167   1HG2  VAL  44          1HG2      VAL  44  10.276  -3.856   2.753
  168   2HG2  VAL  44          2HG2      VAL  44   9.356  -3.267   1.370
  169   3HG2  VAL  44          3HG2      VAL  44   8.602  -4.358   2.533
  170    HA   PRO  45           HA       PRO  45   3.653  -3.881   3.252
  171   1HB   PRO  45          1HB       PRO  45   4.776  -6.222   1.752
  172   2HB   PRO  45          2HB       PRO  45   3.128  -5.568   1.742
  173   1HG   PRO  45          1HG       PRO  45   4.807  -5.096  -0.267
  174   2HG   PRO  45          2HG       PRO  45   3.695  -3.845   0.309
  175   1HD   PRO  45          1HD       PRO  45   6.652  -4.076   0.716
  176   2HD   PRO  45          2HD       PRO  45   5.641  -2.624   0.571
  177    H    LEU  46           H        LEU  46   3.183  -5.097   5.045
  178    HA   LEU  46           HA       LEU  46   5.303  -6.055   6.724
  179   1HB   LEU  46          1HB       LEU  46   2.346  -6.674   6.785
  180   2HB   LEU  46          2HB       LEU  46   3.471  -7.027   8.083
  181    HG   LEU  46           HG       LEU  46   3.378  -4.191   7.114
  182   1HD1  LEU  46          1HD1      LEU  46   1.025  -4.708   7.203
  183   2HD1  LEU  46          2HD1      LEU  46   1.440  -3.740   8.620
  184   3HD1  LEU  46          3HD1      LEU  46   1.211  -5.481   8.776
  185   1HD2  LEU  46          1HD2      LEU  46   4.903  -4.711   8.926
  186   2HD2  LEU  46          2HD2      LEU  46   3.623  -5.523   9.828
  187   3HD2  LEU  46          3HD2      LEU  46   3.564  -3.781   9.592
  188    H    SER  47           H        SER  47   3.211  -7.538   4.375
  189    HA   SER  47           HA       SER  47   3.575 -10.266   5.075
  190   1HB   SER  47          1HB       SER  47   2.976 -10.659   2.630
  191   2HB   SER  47          2HB       SER  47   1.825  -9.708   3.566
  192    HG   SER  47           HG       SER  47   3.726  -8.840   1.674
  193    H    VAL  48           H        VAL  48   5.725  -8.124   3.253
  194    HA   VAL  48           HA       VAL  48   7.400 -10.477   2.494
  195    HB   VAL  48           HB       VAL  48   8.481  -9.065   0.910
  196   1HG1  VAL  48          1HG1      VAL  48   6.679  -8.551  -0.536
  197   2HG1  VAL  48          2HG1      VAL  48   5.599  -8.186   0.806
  198   3HG1  VAL  48          3HG1      VAL  48   6.075  -9.853   0.488
  199   1HG2  VAL  48          1HG2      VAL  48   7.843  -6.628   0.730
  200   2HG2  VAL  48          2HG2      VAL  48   8.797  -7.032   2.155
  201   3HG2  VAL  48          3HG2      VAL  48   7.059  -6.784   2.297
  202    H    LEU  49           H        LEU  49   7.286  -9.170   5.284
  203    HA   LEU  49           HA       LEU  49  10.067  -8.156   5.503
  204   1HB   LEU  49          1HB       LEU  49   7.825  -8.483   7.522
  205   2HB   LEU  49          2HB       LEU  49   9.446  -7.963   7.962
  206    HG   LEU  49           HG       LEU  49   7.619  -6.540   6.001
  207   1HD1  LEU  49          1HD1      LEU  49   7.018  -6.499   8.485
  208   2HD1  LEU  49          2HD1      LEU  49   7.276  -4.924   7.735
  209   3HD1  LEU  49          3HD1      LEU  49   8.535  -5.636   8.741
  210   1HD2  LEU  49          1HD2      LEU  49   9.719  -5.870   5.266
  211   2HD2  LEU  49          2HD2      LEU  49  10.477  -6.137   6.835
  212   3HD2  LEU  49          3HD2      LEU  49   9.488  -4.704   6.565
  213    H    ILE  50           H        ILE  50  11.689  -9.518   5.923
  214    HA   ILE  50           HA       ILE  50  11.110 -12.315   6.680
  215    HB   ILE  50           HB       ILE  50  13.768 -11.010   6.091
  216   1HG1  ILE  50          1HG1      ILE  50  11.746 -12.300   4.246
  217   2HG1  ILE  50          2HG1      ILE  50  12.279 -10.626   4.208
  218   1HG2  ILE  50          1HG2      ILE  50  12.905 -13.888   5.757
  219   2HG2  ILE  50          2HG2      ILE  50  13.691 -13.285   7.216
  220   3HG2  ILE  50          3HG2      ILE  50  14.541 -13.235   5.675
  221   1HD1  ILE  50          1HD1      ILE  50  13.539 -11.674   2.508
  222   2HD1  ILE  50          2HD1      ILE  50  13.849 -13.101   3.496
  223   3HD1  ILE  50          3HD1      ILE  50  14.653 -11.575   3.870
  224    H    ARG  51           H        ARG  51  11.132 -12.893   8.766
  225    HA   ARG  51           HA       ARG  51  13.059 -11.580  10.648
  226   1HB   ARG  51          1HB       ARG  51  10.114 -12.125  11.093
  227   2HB   ARG  51          2HB       ARG  51  11.244 -11.763  12.398
  228   1HG   ARG  51          1HG       ARG  51  11.848  -9.646  11.203
  229   2HG   ARG  51          2HG       ARG  51  10.581  -9.990  10.029
  230   1HD   ARG  51          1HD       ARG  51   8.865  -9.785  11.665
  231   2HD   ARG  51          2HD       ARG  51  10.017  -9.867  12.998
  232    HE   ARG  51           HE       ARG  51   9.389  -7.486  11.409
  233   1HH1  ARG  51          1HH1      ARG  51  11.618  -9.146  13.451
  234   2HH1  ARG  51          2HH1      ARG  51  12.408  -7.701  13.987
  235   1HH2  ARG  51          1HH2      ARG  51  10.408  -5.590  12.098
  236   2HH2  ARG  51          2HH2      ARG  51  11.723  -5.688  13.221
  237    HA   PRO  52           HA       PRO  52  13.265 -16.121  11.314
  238   1HB   PRO  52          1HB       PRO  52  15.818 -16.548  10.732
  239   2HB   PRO  52          2HB       PRO  52  14.684 -16.125   9.432
  240   1HG   PRO  52          1HG       PRO  52  16.718 -14.418  10.809
  241   2HG   PRO  52          2HG       PRO  52  16.241 -14.442   9.106
  242   1HD   PRO  52          1HD       PRO  52  15.255 -12.662  11.127
  243   2HD   PRO  52          2HD       PRO  52  14.618 -12.843   9.479
  244    H    LEU  53           H        LEU  53  13.653 -13.820  13.325
  245    HA   LEU  53           HA       LEU  53  15.397 -15.330  15.238
  246   1HB   LEU  53          1HB       LEU  53  16.358 -13.179  13.975
  247   2HB   LEU  53          2HB       LEU  53  15.463 -12.329  15.226
  248    HG   LEU  53           HG       LEU  53  16.692 -13.673  16.952
  249   1HD1  LEU  53          1HD1      LEU  53  18.951 -14.645  15.806
  250   2HD1  LEU  53          2HD1      LEU  53  17.825 -14.933  14.482
  251   3HD1  LEU  53          3HD1      LEU  53  17.524 -15.640  16.068
  252   1HD2  LEU  53          1HD2      LEU  53  18.649 -12.326  16.861
  253   2HD2  LEU  53          2HD2      LEU  53  17.441 -11.388  15.982
  254   3HD2  LEU  53          3HD2      LEU  53  18.658 -12.314  15.097
  255    HA   PRO  54           HA       PRO  54  11.334 -14.708  17.341
  256   1HB   PRO  54          1HB       PRO  54  12.942 -16.045  19.501
  257   2HB   PRO  54          2HB       PRO  54  11.277 -16.366  18.975
  258   1HG   PRO  54          1HG       PRO  54  13.258 -17.981  18.262
  259   2HG   PRO  54          2HG       PRO  54  11.969 -17.572  17.117
  260   1HD   PRO  54          1HD       PRO  54  14.796 -16.562  17.227
  261   2HD   PRO  54          2HD       PRO  54  13.777 -16.904  15.815
  262    H    SER  55           H        SER  55  10.776 -13.644  19.509
  263    HA   SER  55           HA       SER  55  12.897 -12.074  20.787
  264   1HB   SER  55          1HB       SER  55  10.810 -10.794  19.017
  265   2HB   SER  55          2HB       SER  55  11.648  -9.899  20.281
  266    HG   SER  55           HG       SER  55  12.759  -9.680  18.344
  267    H    VAL  56           H        VAL  56  11.997 -10.770  22.596
  268    HA   VAL  56           HA       VAL  56   9.535 -12.044  23.724
  269    HB   VAL  56           HB       VAL  56  11.801 -10.559  25.094
  270   1HG1  VAL  56          1HG1      VAL  56   9.789 -10.216  26.356
  271   2HG1  VAL  56          2HG1      VAL  56  10.665 -11.518  27.162
  272   3HG1  VAL  56          3HG1      VAL  56   9.286 -11.891  26.128
  273   1HG2  VAL  56          1HG2      VAL  56  11.072 -13.492  24.886
  274   2HG2  VAL  56          2HG2      VAL  56  12.210 -12.860  26.076
  275   3HG2  VAL  56          3HG2      VAL  56  12.565 -12.720  24.354
  276    H    LEU  57           H        LEU  57   7.789 -10.755  23.301
  277    HA   LEU  57           HA       LEU  57   8.139  -7.821  23.138
  278   1HB   LEU  57          1HB       LEU  57   5.658  -9.487  22.724
  279   2HB   LEU  57          2HB       LEU  57   5.839  -7.783  22.341
  280    HG   LEU  57           HG       LEU  57   7.468 -10.020  21.096
  281   1HD1  LEU  57          1HD1      LEU  57   6.136  -9.294  19.035
  282   2HD1  LEU  57          2HD1      LEU  57   5.073  -8.428  20.145
  283   3HD1  LEU  57          3HD1      LEU  57   5.230 -10.182  20.260
  284   1HD2  LEU  57          1HD2      LEU  57   8.844  -8.138  20.938
  285   2HD2  LEU  57          2HD2      LEU  57   7.484  -7.016  20.866
  286   3HD2  LEU  57          3HD2      LEU  57   7.902  -7.990  19.457
  287    H    ASP  58           H        ASP  58   7.137  -6.385  24.440
  288    HA   ASP  58           HA       ASP  58   6.179  -7.376  27.069
  289   1HB   ASP  58          1HB       ASP  58   7.957  -5.843  27.328
  290   2HB   ASP  58          2HB       ASP  58   7.375  -4.803  26.056
  291    HA   PRO  59           HA       PRO  59   2.111  -6.153  25.539
  292   1HB   PRO  59          1HB       PRO  59   0.646  -6.436  27.811
  293   2HB   PRO  59          2HB       PRO  59   1.300  -7.829  26.927
  294   1HG   PRO  59          1HG       PRO  59   2.374  -6.465  29.369
  295   2HG   PRO  59          2HG       PRO  59   2.199  -8.191  29.039
  296   1HD   PRO  59          1HD       PRO  59   4.582  -6.862  28.737
  297   2HD   PRO  59          2HD       PRO  59   4.143  -8.281  27.763
  298    H    ALA  60           H        ALA  60   3.700  -4.450  28.137
  299    HA   ALA  60           HA       ALA  60   1.672  -2.320  28.248
  300   1HB   ALA  60          1HB       ALA  60   2.789  -2.758  30.312
  301   2HB   ALA  60          2HB       ALA  60   3.434  -1.221  29.736
  302   3HB   ALA  60          3HB       ALA  60   4.377  -2.700  29.547
  303    H    LYS  61           H        LYS  61   5.024  -2.652  27.053
  304    HA   LYS  61           HA       LYS  61   5.176   0.036  26.097
  305   1HB   LYS  61          1HB       LYS  61   6.968  -2.072  26.412
  306   2HB   LYS  61          2HB       LYS  61   6.844  -1.960  24.667
  307   1HG   LYS  61          1HG       LYS  61   7.338   0.501  26.339
  308   2HG   LYS  61          2HG       LYS  61   8.662  -0.553  25.875
  309   1HD   LYS  61          1HD       LYS  61   6.761   0.371  23.728
  310   2HD   LYS  61          2HD       LYS  61   7.971   1.500  24.327
  311   1HE   LYS  61          1HE       LYS  61   8.745  -1.292  23.483
  312   2HE   LYS  61          2HE       LYS  61   8.599   0.008  22.301
  313   1HZ   LYS  61          1HZ       LYS  61  10.842  -0.075  23.047
  314   2HZ   LYS  61          2HZ       LYS  61  10.371  -0.058  24.679
  315   3HZ   LYS  61          3HZ       LYS  61  10.137   1.318  23.710
  316    H    VAL  62           H        VAL  62   3.952  -2.945  24.663
  317    HA   VAL  62           HA       VAL  62   3.844  -1.954  21.953
  318    HB   VAL  62           HB       VAL  62   2.288  -4.134  23.380
  319   1HG1  VAL  62          1HG1      VAL  62   0.883  -3.453  21.572
  320   2HG1  VAL  62          2HG1      VAL  62   1.768  -4.859  20.980
  321   3HG1  VAL  62          3HG1      VAL  62   2.259  -3.237  20.490
  322   1HG2  VAL  62          1HG2      VAL  62   4.417  -4.370  21.242
  323   2HG2  VAL  62          2HG2      VAL  62   3.799  -5.639  22.300
  324   3HG2  VAL  62          3HG2      VAL  62   4.805  -4.350  22.961
  325    H    GLN  63           H        GLN  63   1.324  -2.241  24.488
  326    HA   GLN  63           HA       GLN  63  -0.798  -1.023  23.125
  327   1HB   GLN  63          1HB       GLN  63  -0.027  -0.735  26.046
  328   2HB   GLN  63          2HB       GLN  63  -1.597  -0.291  25.377
  329   1HG   GLN  63          1HG       GLN  63  -0.449  -3.064  25.004
  330   2HG   GLN  63          2HG       GLN  63  -1.379  -2.640  26.440
  331   1HE2  GLN  63          1HE2      GLN  63  -2.809  -4.445  25.298
  332   2HE2  GLN  63          2HE2      GLN  63  -3.989  -3.870  24.223
  333    H    SER  64           H        SER  64   1.931   0.513  24.805
  334    HA   SER  64           HA       SER  64   1.024   3.209  24.568
  335   1HB   SER  64          1HB       SER  64   2.937   2.527  25.992
  336   2HB   SER  64          2HB       SER  64   3.875   2.167  24.542
  337    HG   SER  64           HG       SER  64   4.435   4.191  24.838
  338    H    LEU  65           H        LEU  65   2.826   1.111  22.341
  339    HA   LEU  65           HA       LEU  65   3.235   3.224  20.388
  340   1HB   LEU  65          1HB       LEU  65   3.728   0.282  20.588
  341   2HB   LEU  65          2HB       LEU  65   3.608   0.941  18.965
  342    HG   LEU  65           HG       LEU  65   5.366   2.305  21.008
  343   1HD1  LEU  65          1HD1      LEU  65   6.224   0.105  21.166
  344   2HD1  LEU  65          2HD1      LEU  65   7.255   0.891  19.971
  345   3HD1  LEU  65          3HD1      LEU  65   5.976  -0.206  19.450
  346   1HD2  LEU  65          1HD2      LEU  65   5.391   2.048  17.984
  347   2HD2  LEU  65          2HD2      LEU  65   6.659   2.843  18.914
  348   3HD2  LEU  65          3HD2      LEU  65   5.021   3.493  18.923
  349    H    VAL  66           H        VAL  66   1.028   0.423  20.644
  350    HA   VAL  66           HA       VAL  66  -0.421   0.864  18.253
  351    HB   VAL  66           HB       VAL  66  -1.157  -0.323  20.935
  352   1HG1  VAL  66          1HG1      VAL  66  -2.907   0.035  18.502
  353   2HG1  VAL  66          2HG1      VAL  66  -3.265   0.470  20.172
  354   3HG1  VAL  66          3HG1      VAL  66  -3.204  -1.227  19.698
  355   1HG2  VAL  66          1HG2      VAL  66  -1.200  -2.412  19.563
  356   2HG2  VAL  66          2HG2      VAL  66   0.375  -1.619  19.558
  357   3HG2  VAL  66          3HG2      VAL  66  -0.697  -1.462  18.166
  358    H    ASP  67           H        ASP  67  -0.570   2.424  21.397
  359    HA   ASP  67           HA       ASP  67  -3.008   3.913  20.847
  360   1HB   ASP  67          1HB       ASP  67  -0.850   4.013  22.955
  361   2HB   ASP  67          2HB       ASP  67  -2.063   5.283  22.861
  362    H    THR  68           H        THR  68   0.477   4.507  20.520
  363    HA   THR  68           HA       THR  68   0.270   7.314  19.952
  364    HB   THR  68           HB       THR  68   2.407   5.472  18.863
  365    HG1  THR  68           HG1      THR  68   1.689   5.494  21.307
  366   1HG2  THR  68          1HG2      THR  68   2.429   8.329  19.872
  367   2HG2  THR  68          2HG2      THR  68   2.466   7.837  18.179
  368   3HG2  THR  68          3HG2      THR  68   3.823   7.453  19.238
  369    H    ILE  69           H        ILE  69   0.619   4.490  17.792
  370    HA   ILE  69           HA       ILE  69   0.429   5.903  15.342
  371    HB   ILE  69           HB       ILE  69  -0.569   3.099  15.944
  372   1HG1  ILE  69          1HG1      ILE  69   2.175   4.206  15.289
  373   2HG1  ILE  69          2HG1      ILE  69   1.712   3.246  16.688
  374   1HG2  ILE  69          1HG2      ILE  69  -1.217   4.169  13.713
  375   2HG2  ILE  69          2HG2      ILE  69  -0.287   2.681  13.588
  376   3HG2  ILE  69          3HG2      ILE  69   0.505   4.237  13.345
  377   1HD1  ILE  69          1HD1      ILE  69   1.942   2.324  13.817
  378   2HD1  ILE  69          2HD1      ILE  69   1.139   1.371  15.065
  379   3HD1  ILE  69          3HD1      ILE  69   2.852   1.752  15.215
  380    H    ARG  70           H        ARG  70  -2.104   4.563  17.442
  381    HA   ARG  70           HA       ARG  70  -4.286   5.270  15.691
  382   1HB   ARG  70          1HB       ARG  70  -4.024   4.425  18.568
  383   2HB   ARG  70          2HB       ARG  70  -5.576   4.925  17.943
  384   1HG   ARG  70          1HG       ARG  70  -5.048   3.182  16.029
  385   2HG   ARG  70          2HG       ARG  70  -3.907   2.532  17.197
  386   1HD   ARG  70          1HD       ARG  70  -6.109   1.408  17.361
  387   2HD   ARG  70          2HD       ARG  70  -5.718   2.277  18.845
  388    HE   ARG  70           HE       ARG  70  -7.272   3.889  16.985
  389   1HH1  ARG  70          1HH1      ARG  70  -7.315   1.458  19.430
  390   2HH1  ARG  70          2HH1      ARG  70  -8.935   1.805  19.933
  391   1HH2  ARG  70          1HH2      ARG  70  -9.388   4.356  17.628
  392   2HH2  ARG  70          2HH2      ARG  70 -10.109   3.445  18.913
  393    H    GLU  71           H        GLU  71  -2.613   6.936  18.335
  394    HA   GLU  71           HA       GLU  71  -4.634   9.104  18.323
  395   1HB   GLU  71          1HB       GLU  71  -2.198   8.488  19.996
  396   2HB   GLU  71          2HB       GLU  71  -2.962  10.076  20.066
  397   1HG   GLU  71          1HG       GLU  71  -5.012   9.178  20.862
  398   2HG   GLU  71          2HG       GLU  71  -4.559   7.533  20.420
  399    H    ASP  72           H        ASP  72  -1.241   8.599  17.387
  400    HA   ASP  72           HA       ASP  72  -1.434  10.929  15.594
  401   1HB   ASP  72          1HB       ASP  72  -0.704  11.763  17.883
  402   2HB   ASP  72          2HB       ASP  72   0.774  10.831  17.651
  403    HA   PRO  73           HA       PRO  73   1.225   7.566  13.907
  404   1HB   PRO  73          1HB       PRO  73   0.616   7.886  11.272
  405   2HB   PRO  73          2HB       PRO  73  -0.447   7.025  12.401
  406   1HG   PRO  73          1HG       PRO  73  -0.642   9.826  11.375
  407   2HG   PRO  73          2HG       PRO  73  -1.921   8.625  11.613
  408   1HD   PRO  73          1HD       PRO  73  -1.403  10.666  13.386
  409   2HD   PRO  73          2HD       PRO  73  -2.139   9.125  13.870
  410    H    ASP  74           H        ASP  74   1.431  10.933  13.655
  411    HA   ASP  74           HA       ASP  74   3.696  10.949  11.758
  412   1HB   ASP  74          1HB       ASP  74   2.127  12.802  11.643
  413   2HB   ASP  74          2HB       ASP  74   2.376  13.167  13.349
  414    H    SER  75           H        SER  75   3.195  11.051  15.252
  415    HA   SER  75           HA       SER  75   5.963  11.895  15.779
  416   1HB   SER  75          1HB       SER  75   4.018  12.460  17.293
  417   2HB   SER  75          2HB       SER  75   3.946  10.753  17.735
  418    HG   SER  75           HG       SER  75   5.441  12.555  18.824
  419    H    VAL  76           H        VAL  76   5.257   9.297  14.286
  420    HA   VAL  76           HA       VAL  76   6.753   7.405  16.066
  421    HB   VAL  76           HB       VAL  76   4.957   6.501  13.816
  422   1HG1  VAL  76          1HG1      VAL  76   4.855   4.467  15.032
  423   2HG1  VAL  76          2HG1      VAL  76   5.421   5.222  16.521
  424   3HG1  VAL  76          3HG1      VAL  76   6.538   4.970  15.176
  425   1HG2  VAL  76          1HG2      VAL  76   3.478   7.933  15.019
  426   2HG2  VAL  76          2HG2      VAL  76   4.130   7.420  16.575
  427   3HG2  VAL  76          3HG2      VAL  76   3.154   6.307  15.618
  428    HA   PRO  77           HA       PRO  77   9.467   8.073  12.455
  429   1HB   PRO  77          1HB       PRO  77  11.805   7.151  13.571
  430   2HB   PRO  77          2HB       PRO  77  11.156   8.776  13.844
  431   1HG   PRO  77          1HG       PRO  77  11.096   6.372  15.601
  432   2HG   PRO  77          2HG       PRO  77  11.227   8.082  16.037
  433   1HD   PRO  77          1HD       PRO  77   8.881   6.553  16.182
  434   2HD   PRO  77          2HD       PRO  77   8.934   8.328  16.154
  435    HA   PRO  78           HA       PRO  78   9.658   4.018  10.646
  436   1HB   PRO  78          1HB       PRO  78  11.681   4.282   8.842
  437   2HB   PRO  78          2HB       PRO  78  10.133   5.123   8.663
  438   1HG   PRO  78          1HG       PRO  78  12.742   6.151   9.706
  439   2HG   PRO  78          2HG       PRO  78  11.594   6.925   8.603
  440   1HD   PRO  78          1HD       PRO  78  11.725   7.505  11.287
  441   2HD   PRO  78          2HD       PRO  78  10.237   7.663  10.340
  442    H    ILE  79           H        ILE  79  11.236   2.173  10.137
  443    HA   ILE  79           HA       ILE  79  13.304   1.984  12.310
  444    HB   ILE  79           HB       ILE  79  12.972  -0.528  11.944
  445   1HG1  ILE  79          1HG1      ILE  79  10.313   0.276  10.746
  446   2HG1  ILE  79          2HG1      ILE  79  11.710  -0.001   9.705
  447   1HG2  ILE  79          1HG2      ILE  79  10.852   1.304  13.065
  448   2HG2  ILE  79          2HG2      ILE  79  12.079   0.381  13.931
  449   3HG2  ILE  79          3HG2      ILE  79  10.710  -0.449  13.193
  450   1HD1  ILE  79          1HD1      ILE  79  11.978  -2.254  10.703
  451   2HD1  ILE  79          2HD1      ILE  79  10.406  -2.058   9.929
  452   3HD1  ILE  79          3HD1      ILE  79  10.541  -1.974  11.685
  453    H    ASP  80           H        ASP  80  15.174   0.540  11.723
  454    HA   ASP  80           HA       ASP  80  16.104   1.224   8.995
  455   1HB   ASP  80          1HB       ASP  80  17.710   1.634  10.721
  456   2HB   ASP  80          2HB       ASP  80  17.481   0.033  11.419
  457    H    VAL  81           H        VAL  81  16.392  -0.270   7.409
  458    HA   VAL  81           HA       VAL  81  16.031  -3.172   8.038
  459    HB   VAL  81           HB       VAL  81  14.399  -1.455   6.157
  460   1HG1  VAL  81          1HG1      VAL  81  15.108  -3.207   4.689
  461   2HG1  VAL  81          2HG1      VAL  81  13.497  -3.652   5.248
  462   3HG1  VAL  81          3HG1      VAL  81  14.916  -4.428   5.946
  463   1HG2  VAL  81          1HG2      VAL  81  12.559  -2.822   7.194
  464   2HG2  VAL  81          2HG2      VAL  81  13.461  -1.848   8.356
  465   3HG2  VAL  81          3HG2      VAL  81  13.772  -3.579   8.227
  466    H    LEU  82           H        LEU  82  17.327  -4.485   6.813
  467    HA   LEU  82           HA       LEU  82  19.317  -3.166   5.073
  468   1HB   LEU  82          1HB       LEU  82  19.063  -6.069   5.908
  469   2HB   LEU  82          2HB       LEU  82  20.459  -5.338   5.120
  470    HG   LEU  82           HG       LEU  82  19.455  -4.156   7.712
  471   1HD1  LEU  82          1HD1      LEU  82  20.860  -5.674   8.993
  472   2HD1  LEU  82          2HD1      LEU  82  21.339  -6.521   7.522
  473   3HD1  LEU  82          3HD1      LEU  82  19.671  -6.608   8.087
  474   1HD2  LEU  82          1HD2      LEU  82  21.816  -3.562   7.965
  475   2HD2  LEU  82          2HD2      LEU  82  21.238  -3.029   6.388
  476   3HD2  LEU  82          3HD2      LEU  82  22.225  -4.484   6.519
  477    H    TRP  83           H        TRP  83  19.231  -3.226   2.892
  478    HA   TRP  83           HA       TRP  83  17.144  -4.923   1.580
  479   1HB   TRP  83          1HB       TRP  83  16.943  -2.498   1.258
  480   2HB   TRP  83          2HB       TRP  83  18.601  -2.418   0.705
  481    HD1  TRP  83           HD1      TRP  83  16.769  -5.404  -0.674
  482    HE1  TRP  83           HE1      TRP  83  16.193  -4.967  -3.144
  483    HE3  TRP  83           HE3      TRP  83  17.836  -0.439  -0.931
  484    HZ2  TRP  83           HZ2      TRP  83  16.199  -2.770  -5.001
  485    HZ3  TRP  83           HZ3      TRP  83  17.550   0.814  -3.056
  486    HH2  TRP  83           HH2      TRP  83  16.739  -0.348  -5.086
  487    H    ILE  84           H        ILE  84  18.068  -6.795   0.781
  488    HA   ILE  84           HA       ILE  84  20.723  -6.565  -0.611
  489    HB   ILE  84           HB       ILE  84  19.791  -8.966   0.985
  490   1HG1  ILE  84          1HG1      ILE  84  21.666  -6.706   1.744
  491   2HG1  ILE  84          2HG1      ILE  84  20.130  -7.089   2.519
  492   1HG2  ILE  84          1HG2      ILE  84  22.030  -9.759   0.672
  493   2HG2  ILE  84          2HG2      ILE  84  22.566  -8.197   0.052
  494   3HG2  ILE  84          3HG2      ILE  84  21.491  -9.208  -0.915
  495   1HD1  ILE  84          1HD1      ILE  84  21.116  -9.397   3.003
  496   2HD1  ILE  84          2HD1      ILE  84  21.811  -8.053   3.909
  497   3HD1  ILE  84          3HD1      ILE  84  22.673  -8.722   2.524
  498    H    LYS  85           H        LYS  85  20.886  -7.628  -2.542
  499    HA   LYS  85           HA       LYS  85  18.377  -8.792  -3.652
  500   1HB   LYS  85          1HB       LYS  85  20.348  -6.958  -4.624
  501   2HB   LYS  85          2HB       LYS  85  20.508  -8.407  -5.610
  502   1HG   LYS  85          1HG       LYS  85  18.185  -8.299  -6.240
  503   2HG   LYS  85          2HG       LYS  85  17.883  -7.008  -5.095
  504   1HD   LYS  85          1HD       LYS  85  19.518  -5.575  -6.316
  505   2HD   LYS  85          2HD       LYS  85  19.712  -6.859  -7.506
  506   1HE   LYS  85          1HE       LYS  85  17.827  -4.783  -7.628
  507   2HE   LYS  85          2HE       LYS  85  17.803  -6.247  -8.603
  508   1HZ   LYS  85          1HZ       LYS  85  16.677  -7.180  -6.424
  509   2HZ   LYS  85          2HZ       LYS  85  15.784  -6.408  -7.645
  510   3HZ   LYS  85          3HZ       LYS  85  16.236  -5.553  -6.248
  511    H    GLY  86           H        GLY  86  18.538 -10.762  -4.924
  512   1HA   GLY  86          1HA       GLY  86  20.604 -12.614  -3.846
  513   2HA   GLY  86          2HA       GLY  86  19.078 -13.097  -4.576
  514    H    ALA  87           H        ALA  87  20.751 -14.553  -5.679
  515    HA   ALA  87           HA       ALA  87  22.514 -13.465  -7.667
  516   1HB   ALA  87          1HB       ALA  87  21.345 -16.198  -7.151
  517   2HB   ALA  87          2HB       ALA  87  23.014 -15.659  -6.975
  518   3HB   ALA  87          3HB       ALA  87  22.331 -15.894  -8.584
  519    H    GLN  88           H        GLN  88  19.087 -13.756  -7.658
  520    HA   GLN  88           HA       GLN  88  19.030 -13.480 -10.651
  521   1HB   GLN  88          1HB       GLN  88  16.882 -14.625  -8.844
  522   2HB   GLN  88          2HB       GLN  88  16.828 -14.527 -10.607
  523   1HG   GLN  88          1HG       GLN  88  18.815 -15.965 -10.758
  524   2HG   GLN  88          2HG       GLN  88  18.900 -16.050  -9.001
  525   1HE2  GLN  88          1HE2      GLN  88  18.687 -18.503  -9.685
  526   2HE2  GLN  88          2HE2      GLN  88  17.105 -19.107  -9.751
  527    H    GLY  89           H        GLY  89  19.203 -11.442  -8.381
  528   1HA   GLY  89          1HA       GLY  89  18.472  -9.208  -8.322
  529   2HA   GLY  89          2HA       GLY  89  17.287  -9.583  -9.559
  530    H    GLY  90           H        GLY  90  16.623 -11.930  -7.485
  531   1HA   GLY  90          1HA       GLY  90  14.210 -10.926  -6.534
  532   2HA   GLY  90          2HA       GLY  90  15.073 -12.251  -5.767
  533    H    ASP  91           H        ASP  91  13.940  -9.167  -5.307
  534    HA   ASP  91           HA       ASP  91  15.994  -8.187  -3.492
  535   1HB   ASP  91          1HB       ASP  91  13.172  -7.310  -4.122
  536   2HB   ASP  91          2HB       ASP  91  14.131  -6.538  -2.872
  537    H    TYR  92           H        TYR  92  16.105  -8.540  -1.324
  538    HA   TYR  92           HA       TYR  92  13.810  -9.906   0.048
  539   1HB   TYR  92          1HB       TYR  92  16.775 -10.499   0.343
  540   2HB   TYR  92          2HB       TYR  92  15.490 -11.235   1.302
  541    HD1  TYR  92           HD1      TYR  92  13.843 -12.766   0.240
  542    HD2  TYR  92           HD2      TYR  92  17.145 -11.136  -1.974
  543    HE1  TYR  92           HE1      TYR  92  13.477 -14.445  -1.541
  544    HE2  TYR  92           HE2      TYR  92  16.775 -12.818  -3.751
  545    HH   TYR  92           HH       TYR  92  15.756 -14.918  -4.114
  546    H    PHE  93           H        PHE  93  13.193  -8.815   1.885
  547    HA   PHE  93           HA       PHE  93  14.983  -6.643   2.876
  548   1HB   PHE  93          1HB       PHE  93  11.999  -7.046   3.265
  549   2HB   PHE  93          2HB       PHE  93  12.934  -5.651   3.770
  550    HD1  PHE  93           HD1      PHE  93  11.165  -7.210   1.043
  551    HD2  PHE  93           HD2      PHE  93  14.146  -4.257   1.984
  552    HE1  PHE  93           HE1      PHE  93  10.898  -6.219  -1.210
  553    HE2  PHE  93           HE2      PHE  93  13.876  -3.277  -0.272
  554    HZ   PHE  93           HZ       PHE  93  12.257  -4.252  -1.867
  555    H    TYR  94           H        TYR  94  15.998  -6.993   4.743
  556    HA   TYR  94           HA       TYR  94  14.954  -9.072   6.632
  557   1HB   TYR  94          1HB       TYR  94  17.675  -8.062   5.869
  558   2HB   TYR  94          2HB       TYR  94  17.454  -8.582   7.539
  559    HD1  TYR  94           HD1      TYR  94  17.104 -10.873   8.107
  560    HD2  TYR  94           HD2      TYR  94  17.293  -9.649   3.999
  561    HE1  TYR  94           HE1      TYR  94  17.262 -13.247   7.403
  562    HE2  TYR  94           HE2      TYR  94  17.454 -12.017   3.298
  563    HH   TYR  94           HH       TYR  94  17.191 -14.657   5.655
  564    H    SER  95           H        SER  95  14.381  -8.454   8.676
  565    HA   SER  95           HA       SER  95  14.872  -5.597   9.492
  566   1HB   SER  95          1HB       SER  95  12.386  -7.077   9.210
  567   2HB   SER  95          2HB       SER  95  12.586  -6.550  10.878
  568    HG   SER  95           HG       SER  95  12.553  -4.519  10.293
  569    H    PHE  96           H        PHE  96  16.095  -5.482  11.299
  570    HA   PHE  96           HA       PHE  96  15.953  -7.692  13.323
  571   1HB   PHE  96          1HB       PHE  96  18.385  -6.227  12.272
  572   2HB   PHE  96          2HB       PHE  96  18.371  -7.132  13.784
  573    HD1  PHE  96           HD1      PHE  96  18.972  -7.365  10.319
  574    HD2  PHE  96           HD2      PHE  96  17.384  -9.590  13.613
  575    HE1  PHE  96           HE1      PHE  96  19.412  -9.466   9.098
  576    HE2  PHE  96           HE2      PHE  96  17.805 -11.704  12.387
  577    HZ   PHE  96           HZ       PHE  96  18.822 -11.641  10.129
  578    H    GLY  97           H        GLY  97  14.482  -6.303  14.448
  579   1HA   GLY  97          1HA       GLY  97  14.995  -4.905  16.600
  580   2HA   GLY  97          2HA       GLY  97  15.536  -3.692  15.438
  581    H    GLY  98           H        GLY  98  13.714  -2.438  16.531
  582   1HA   GLY  98          1HA       GLY  98  11.487  -1.651  16.559
  583   2HA   GLY  98          2HA       GLY  98  11.548  -2.042  14.843
  584    H    CYS  99           H        CYS  99  12.043  -4.757  16.875
  585    HA   CYS  99           HA       CYS  99   9.914  -6.263  15.885
  586   1HB   CYS  99          1HB       CYS  99  10.857  -6.523  18.745
  587   2HB   CYS  99          2HB       CYS  99  10.325  -7.795  17.647
  588    HG   CYS  99           HG       CYS  99  13.114  -6.453  17.615
  589    H    HIS 100           H        HIS 100   9.946  -4.343  18.904
  590    HA   HIS 100           HA       HIS 100   7.238  -4.866  19.620
  591   1HB   HIS 100          1HB       HIS 100   9.159  -2.622  20.232
  592   2HB   HIS 100          2HB       HIS 100   7.491  -2.542  20.794
  593    HD1  HIS 100           HD1      HIS 100  10.418  -4.994  20.905
  594    HD2  HIS 100           HD2      HIS 100   7.099  -3.905  23.188
  595    HE1  HIS 100           HE1      HIS 100  10.539  -6.352  23.040
  596    H    ARG 101           H        ARG 101   8.651  -2.312  17.571
  597    HA   ARG 101           HA       ARG 101   6.150  -0.967  17.122
  598   1HB   ARG 101          1HB       ARG 101   8.739  -1.018  15.553
  599   2HB   ARG 101          2HB       ARG 101   7.353  -0.039  15.076
  600   1HG   ARG 101          1HG       ARG 101   7.385   0.985  17.385
  601   2HG   ARG 101          2HG       ARG 101   8.885   0.114  17.692
  602   1HD   ARG 101          1HD       ARG 101   8.623   1.899  15.274
  603   2HD   ARG 101          2HD       ARG 101   9.024   2.574  16.851
  604    HE   ARG 101           HE       ARG 101  10.703   0.304  16.052
  605   1HH1  ARG 101          1HH1      ARG 101  10.169   3.712  16.041
  606   2HH1  ARG 101          2HH1      ARG 101  11.843   4.107  15.841
  607   1HH2  ARG 101          1HH2      ARG 101  12.893   0.804  15.795
  608   2HH2  ARG 101          2HH2      ARG 101  13.384   2.462  15.702
  609    H    TYR 102           H        TYR 102   7.683  -3.758  15.622
  610    HA   TYR 102           HA       TYR 102   5.977  -3.867  13.304
  611   1HB   TYR 102          1HB       TYR 102   7.967  -5.187  13.241
  612   2HB   TYR 102          2HB       TYR 102   7.610  -5.942  14.788
  613    HD1  TYR 102           HD1      TYR 102   6.902  -5.974  11.183
  614    HD2  TYR 102           HD2      TYR 102   5.865  -7.639  15.000
  615    HE1  TYR 102           HE1      TYR 102   5.735  -7.848  10.050
  616    HE2  TYR 102           HE2      TYR 102   4.694  -9.504  13.874
  617    HH   TYR 102           HH       TYR 102   4.933 -10.654  11.494
  618    H    ALA 103           H        ALA 103   5.771  -5.285  16.561
  619    HA   ALA 103           HA       ALA 103   3.376  -6.779  16.159
  620   1HB   ALA 103          1HB       ALA 103   3.233  -6.912  18.533
  621   2HB   ALA 103          2HB       ALA 103   4.109  -5.397  18.747
  622   3HB   ALA 103          3HB       ALA 103   4.959  -6.836  18.181
  623    H    ALA 104           H        ALA 104   3.885  -3.411  17.214
  624    HA   ALA 104           HA       ALA 104   1.147  -2.813  17.705
  625   1HB   ALA 104          1HB       ALA 104   1.905  -0.407  17.170
  626   2HB   ALA 104          2HB       ALA 104   3.506  -1.099  16.911
  627   3HB   ALA 104          3HB       ALA 104   2.735  -1.228  18.492
  628    H    TYR 105           H        TYR 105   3.100  -2.448  14.734
  629    HA   TYR 105           HA       TYR 105   0.920  -1.419  13.161
  630   1HB   TYR 105          1HB       TYR 105   3.677  -2.468  12.668
  631   2HB   TYR 105          2HB       TYR 105   2.577  -2.505  11.299
  632    HD1  TYR 105           HD1      TYR 105   1.644  -0.428  10.363
  633    HD2  TYR 105           HD2      TYR 105   4.434  -0.361  13.626
  634    HE1  TYR 105           HE1      TYR 105   2.025   1.995   9.989
  635    HE2  TYR 105           HE2      TYR 105   4.814   2.059  13.254
  636    HH   TYR 105           HH       TYR 105   3.552   3.981  12.232
  637    H    GLN 106           H        GLN 106   2.252  -4.690  13.668
  638    HA   GLN 106           HA       GLN 106   0.569  -6.029  11.806
  639   1HB   GLN 106          1HB       GLN 106   2.620  -6.946  13.030
  640   2HB   GLN 106          2HB       GLN 106   1.554  -7.202  14.411
  641   1HG   GLN 106          1HG       GLN 106   0.025  -8.495  12.829
  642   2HG   GLN 106          2HG       GLN 106   1.327  -8.407  11.648
  643   1HE2  GLN 106          1HE2      GLN 106   0.619  -9.631  14.970
  644   2HE2  GLN 106          2HE2      GLN 106   1.819 -10.825  14.929
  645    H    GLN 107           H        GLN 107   0.152  -5.288  15.262
  646    HA   GLN 107           HA       GLN 107  -2.319  -6.664  15.616
  647   1HB   GLN 107          1HB       GLN 107  -1.047  -5.899  17.536
  648   2HB   GLN 107          2HB       GLN 107  -1.187  -4.221  17.012
  649   1HG   GLN 107          1HG       GLN 107  -3.461  -4.092  17.565
  650   2HG   GLN 107          2HG       GLN 107  -3.684  -5.837  17.482
  651   1HE2  GLN 107          1HE2      GLN 107  -4.465  -6.139  19.639
  652   2HE2  GLN 107          2HE2      GLN 107  -3.515  -5.839  21.013
  653    H    LEU 108           H        LEU 108  -1.571  -3.411  14.439
  654    HA   LEU 108           HA       LEU 108  -4.393  -2.645  14.299
  655   1HB   LEU 108          1HB       LEU 108  -1.876  -1.368  13.197
  656   2HB   LEU 108          2HB       LEU 108  -3.478  -0.640  13.093
  657    HG   LEU 108           HG       LEU 108  -2.126  -1.448  15.690
  658   1HD1  LEU 108          1HD1      LEU 108  -2.551   1.375  14.704
  659   2HD1  LEU 108          2HD1      LEU 108  -1.071   0.487  14.347
  660   3HD1  LEU 108          3HD1      LEU 108  -1.517   0.819  16.020
  661   1HD2  LEU 108          1HD2      LEU 108  -4.375  -1.398  16.247
  662   2HD2  LEU 108          2HD2      LEU 108  -4.783  -0.241  14.981
  663   3HD2  LEU 108          3HD2      LEU 108  -3.993   0.307  16.456
  664    H    GLN 109           H        GLN 109  -3.092  -4.996  12.748
  665    HA   GLN 109           HA       GLN 109  -3.151  -5.899  10.585
  666   1HB   GLN 109          1HB       GLN 109  -5.392  -5.902   9.627
  667   2HB   GLN 109          2HB       GLN 109  -5.475  -6.121  11.370
  668   1HG   GLN 109          1HG       GLN 109  -6.188  -3.853  11.709
  669   2HG   GLN 109          2HG       GLN 109  -5.832  -3.421  10.035
  670   1HE2  GLN 109          1HE2      GLN 109  -7.159  -6.573  10.350
  671   2HE2  GLN 109          2HE2      GLN 109  -8.746  -6.190   9.904
  672    H    ARG 110           H        ARG 110  -2.035  -3.105  10.729
  673    HA   ARG 110           HA       ARG 110  -2.914  -1.558   8.518
  674   1HB   ARG 110          1HB       ARG 110  -0.247  -1.868   9.894
  675   2HB   ARG 110          2HB       ARG 110  -0.430  -0.794   8.510
  676   1HG   ARG 110          1HG       ARG 110  -2.167  -0.652  10.997
  677   2HG   ARG 110          2HG       ARG 110  -0.723   0.327  10.765
  678   1HD   ARG 110          1HD       ARG 110  -1.957   0.935   8.455
  679   2HD   ARG 110          2HD       ARG 110  -3.384   0.529   9.408
  680    HE   ARG 110           HE       ARG 110  -1.690   2.289  10.911
  681   1HH1  ARG 110          1HH1      ARG 110  -3.822   2.119   8.207
  682   2HH1  ARG 110          2HH1      ARG 110  -4.320   3.774   8.326
  683   1HH2  ARG 110          1HH2      ARG 110  -2.328   4.451  11.083
  684   2HH2  ARG 110          2HH2      ARG 110  -3.474   5.094   9.955
  685    H    GLU 111           H        GLU 111  -1.955  -1.419   6.381
  686    HA   GLU 111           HA       GLU 111  -1.450  -4.076   5.254
  687   1HB   GLU 111          1HB       GLU 111  -1.737  -1.314   4.057
  688   2HB   GLU 111          2HB       GLU 111  -1.276  -2.710   3.082
  689   1HG   GLU 111          1HG       GLU 111  -3.701  -2.405   2.984
  690   2HG   GLU 111          2HG       GLU 111  -3.329  -3.888   3.862
  691    H    THR 112           H        THR 112   0.438  -1.048   5.649
  692    HA   THR 112           HA       THR 112   2.921  -2.672   5.141
  693    HB   THR 112           HB       THR 112   3.839  -0.617   4.011
  694    HG1  THR 112           HG1      THR 112   1.147   0.160   4.351
  695   1HG2  THR 112          1HG2      THR 112   3.293  -1.865   2.196
  696   2HG2  THR 112          2HG2      THR 112   1.801  -0.937   2.111
  697   3HG2  THR 112          3HG2      THR 112   1.828  -2.477   2.967
  698    H    ILE 113           H        ILE 113   4.893  -1.203   5.793
  699    HA   ILE 113           HA       ILE 113   4.250   0.420   8.211
  700    HB   ILE 113           HB       ILE 113   4.811  -1.950   8.886
  701   1HG1  ILE 113          1HG1      ILE 113   6.835   0.122   9.771
  702   2HG1  ILE 113          2HG1      ILE 113   5.162   0.104  10.328
  703   1HG2  ILE 113          1HG2      ILE 113   6.586  -2.148   7.026
  704   2HG2  ILE 113          2HG2      ILE 113   7.030  -2.778   8.612
  705   3HG2  ILE 113          3HG2      ILE 113   7.635  -1.209   8.086
  706   1HD1  ILE 113          1HD1      ILE 113   7.303  -1.991  10.772
  707   2HD1  ILE 113          2HD1      ILE 113   5.594  -2.317  11.056
  708   3HD1  ILE 113          3HD1      ILE 113   6.421  -1.071  11.990
  709    HA   PRO 114           HA       PRO 114   7.424   2.950   6.247
  710   1HB   PRO 114          1HB       PRO 114   7.984   4.211   8.877
  711   2HB   PRO 114          2HB       PRO 114   7.369   4.952   7.389
  712   1HG   PRO 114          1HG       PRO 114   5.820   4.583   9.563
  713   2HG   PRO 114          2HG       PRO 114   5.176   4.482   7.916
  714   1HD   PRO 114          1HD       PRO 114   5.907   2.252   9.803
  715   2HD   PRO 114          2HD       PRO 114   4.510   2.407   8.725
  716    H    ALA 115           H        ALA 115   9.537   2.419   5.857
  717    HA   ALA 115           HA       ALA 115  11.318   1.634   8.081
  718   1HB   ALA 115          1HB       ALA 115  11.000  -0.202   5.698
  719   2HB   ALA 115          2HB       ALA 115  10.115  -0.449   7.204
  720   3HB   ALA 115          3HB       ALA 115  11.878  -0.511   7.196
  721    H    LYS 116           H        LYS 116  13.343   2.384   7.703
  722    HA   LYS 116           HA       LYS 116  13.879   3.839   5.241
  723   1HB   LYS 116          1HB       LYS 116  14.758   4.122   7.813
  724   2HB   LYS 116          2HB       LYS 116  16.127   3.252   7.133
  725   1HG   LYS 116          1HG       LYS 116  16.333   4.941   5.354
  726   2HG   LYS 116          2HG       LYS 116  14.932   5.797   5.998
  727   1HD   LYS 116          1HD       LYS 116  16.089   6.331   8.033
  728   2HD   LYS 116          2HD       LYS 116  17.416   5.240   7.637
  729   1HE   LYS 116          1HE       LYS 116  16.686   7.617   5.912
  730   2HE   LYS 116          2HE       LYS 116  17.864   7.718   7.221
  731   1HZ   LYS 116          1HZ       LYS 116  19.064   7.257   5.261
  732   2HZ   LYS 116          2HZ       LYS 116  17.991   6.026   4.791
  733   3HZ   LYS 116          3HZ       LYS 116  19.016   5.799   6.127
  734    H    LEU 117           H        LEU 117  14.489   2.760   3.400
  735    HA   LEU 117           HA       LEU 117  15.666   0.077   3.583
  736   1HB   LEU 117          1HB       LEU 117  15.384   1.839   1.133
  737   2HB   LEU 117          2HB       LEU 117  15.687   0.106   1.151
  738    HG   LEU 117           HG       LEU 117  13.169   1.511   2.100
  739   1HD1  LEU 117          1HD1      LEU 117  13.146   1.354  -0.279
  740   2HD1  LEU 117          2HD1      LEU 117  12.202  -0.032   0.275
  741   3HD1  LEU 117          3HD1      LEU 117  13.867  -0.253  -0.256
  742   1HD2  LEU 117          1HD2      LEU 117  12.390  -0.970   2.273
  743   2HD2  LEU 117          2HD2      LEU 117  13.367  -0.316   3.583
  744   3HD2  LEU 117          3HD2      LEU 117  14.111  -1.346   2.358
  745    H    VAL 118           H        VAL 118  17.794  -0.415   3.485
  746    HA   VAL 118           HA       VAL 118  19.751   1.708   2.694
  747    HB   VAL 118           HB       VAL 118  19.972  -0.110   5.118
  748   1HG1  VAL 118          1HG1      VAL 118  22.151   0.318   4.103
  749   2HG1  VAL 118          2HG1      VAL 118  22.005   1.266   5.582
  750   3HG1  VAL 118          3HG1      VAL 118  21.801   2.045   4.013
  751   1HG2  VAL 118          1HG2      VAL 118  19.716   1.907   6.438
  752   2HG2  VAL 118          2HG2      VAL 118  18.348   1.797   5.331
  753   3HG2  VAL 118          3HG2      VAL 118  19.676   2.904   4.984
  754    H    GLN 119           H        GLN 119  20.848   0.865   0.981
  755    HA   GLN 119           HA       GLN 119  20.790  -1.831   0.178
  756   1HB   GLN 119          1HB       GLN 119  22.966   0.223  -0.322
  757   2HB   GLN 119          2HB       GLN 119  22.829  -1.312  -1.167
  758   1HG   GLN 119          1HG       GLN 119  21.801   0.435  -2.533
  759   2HG   GLN 119          2HG       GLN 119  20.561  -0.665  -1.948
  760   1HE2  GLN 119          1HE2      GLN 119  22.194   2.193  -0.421
  761   2HE2  GLN 119          2HE2      GLN 119  20.749   2.977  -0.020
  762    H    SER 120           H        SER 120  21.967  -3.634   0.776
  763    HA   SER 120           HA       SER 120  24.323  -3.275   2.581
  764   1HB   SER 120          1HB       SER 120  21.816  -4.848   3.131
  765   2HB   SER 120          2HB       SER 120  23.340  -5.328   3.860
  766    HG   SER 120           HG       SER 120  21.980  -2.861   4.106
  767    H    THR 121           H        THR 121  25.222  -5.682   2.953
  768    HA   THR 121           HA       THR 121  25.215  -7.103   0.310
  769    HB   THR 121           HB       THR 121  27.675  -7.583   0.882
  770    HG1  THR 121           HG1      THR 121  28.604  -6.308   2.378
  771   1HG2  THR 121          1HG2      THR 121  27.178  -6.098  -0.926
  772   2HG2  THR 121          2HG2      THR 121  28.374  -5.273   0.075
  773   3HG2  THR 121          3HG2      THR 121  26.673  -4.820   0.179
  774    H    LEU 122           H        LEU 122  25.887  -9.395   0.508
  775    HA   LEU 122           HA       LEU 122  24.457 -10.751   2.537
  776   1HB   LEU 122          1HB       LEU 122  25.234 -11.750   0.337
  777   2HB   LEU 122          2HB       LEU 122  26.841 -11.884   1.045
  778    HG   LEU 122           HG       LEU 122  25.827 -13.256   2.905
  779   1HD1  LEU 122          1HD1      LEU 122  23.543 -14.332   2.058
  780   2HD1  LEU 122          2HD1      LEU 122  23.371 -12.786   1.234
  781   3HD1  LEU 122          3HD1      LEU 122  23.537 -12.838   2.986
  782   1HD2  LEU 122          1HD2      LEU 122  26.954 -14.457   1.182
  783   2HD2  LEU 122          2HD2      LEU 122  25.651 -14.167   0.027
  784   3HD2  LEU 122          3HD2      LEU 122  25.402 -15.275   1.378
  785    H    SER 123           H        SER 123  27.879  -9.776   2.453
  786    HA   SER 123           HA       SER 123  28.824 -11.215   4.686
  787   1HB   SER 123          1HB       SER 123  30.320  -9.871   3.298
  788   2HB   SER 123          2HB       SER 123  29.506  -8.391   3.808
  789    HG   SER 123           HG       SER 123  30.235  -8.720   5.880
  790    H    ASP 124           H        ASP 124  27.159  -8.048   4.610
  791    HA   ASP 124           HA       ASP 124  27.227  -7.494   7.376
  792   1HB   ASP 124          1HB       ASP 124  25.397  -6.800   5.099
  793   2HB   ASP 124          2HB       ASP 124  24.867  -6.411   6.724
  794    H    LEU 125           H        LEU 125  24.840  -9.350   5.477
  795    HA   LEU 125           HA       LEU 125  23.154 -10.016   7.658
  796   1HB   LEU 125          1HB       LEU 125  22.954 -10.434   5.025
  797   2HB   LEU 125          2HB       LEU 125  23.606 -12.010   5.454
  798    HG   LEU 125           HG       LEU 125  21.739 -12.095   7.248
  799   1HD1  LEU 125          1HD1      LEU 125  19.688 -10.761   6.454
  800   2HD1  LEU 125          2HD1      LEU 125  20.814  -9.769   5.538
  801   3HD1  LEU 125          3HD1      LEU 125  20.930  -9.843   7.292
  802   1HD2  LEU 125          1HD2      LEU 125  21.761 -13.427   5.162
  803   2HD2  LEU 125          2HD2      LEU 125  20.972 -12.097   4.316
  804   3HD2  LEU 125          3HD2      LEU 125  20.126 -12.944   5.611
  805    H    ARG 126           H        ARG 126  26.112 -11.547   6.450
  806    HA   ARG 126           HA       ARG 126  26.081 -13.900   8.053
  807   1HB   ARG 126          1HB       ARG 126  27.753 -13.264   6.219
  808   2HB   ARG 126          2HB       ARG 126  28.553 -12.259   7.426
  809   1HG   ARG 126          1HG       ARG 126  28.598 -14.390   8.891
  810   2HG   ARG 126          2HG       ARG 126  28.226 -15.260   7.401
  811   1HD   ARG 126          1HD       ARG 126  30.226 -14.022   6.371
  812   2HD   ARG 126          2HD       ARG 126  30.660 -13.581   8.022
  813    HE   ARG 126           HE       ARG 126  30.322 -16.323   8.154
  814   1HH1  ARG 126          1HH1      ARG 126  32.097 -14.125   6.178
  815   2HH1  ARG 126          2HH1      ARG 126  33.393 -15.234   5.877
  816   1HH2  ARG 126          1HH2      ARG 126  32.003 -17.784   7.773
  817   2HH2  ARG 126          2HH2      ARG 126  33.340 -17.306   6.780
  818    H    VAL 127           H        VAL 127  27.002 -10.571   8.851
  819    HA   VAL 127           HA       VAL 127  28.191 -11.099  11.384
  820    HB   VAL 127           HB       VAL 127  26.540  -8.696  10.537
  821   1HG1  VAL 127          1HG1      VAL 127  26.764  -8.762  12.948
  822   2HG1  VAL 127          2HG1      VAL 127  27.904  -7.568  12.329
  823   3HG1  VAL 127          3HG1      VAL 127  28.476  -9.162  12.820
  824   1HG2  VAL 127          1HG2      VAL 127  28.467  -9.096   9.064
  825   2HG2  VAL 127          2HG2      VAL 127  29.524  -9.240  10.467
  826   3HG2  VAL 127          3HG2      VAL 127  28.768  -7.693  10.087
  827    H    TYR 128           H        TYR 128  24.825 -10.865  10.324
  828    HA   TYR 128           HA       TYR 128  23.833 -11.118  13.114
  829   1HB   TYR 128          1HB       TYR 128  22.391 -10.984  10.454
  830   2HB   TYR 128          2HB       TYR 128  21.585 -11.118  12.014
  831    HD1  TYR 128           HD1      TYR 128  21.772  -9.286  13.691
  832    HD2  TYR 128           HD2      TYR 128  23.347  -8.920   9.717
  833    HE1  TYR 128           HE1      TYR 128  21.889  -6.826  13.966
  834    HE2  TYR 128           HE2      TYR 128  23.466  -6.460   9.988
  835    HH   TYR 128           HH       TYR 128  22.087  -4.852  12.787
  836    H    LEU 129           H        LEU 129  23.635 -13.008  10.088
  837    HA   LEU 129           HA       LEU 129  22.899 -15.428  11.693
  838   1HB   LEU 129          1HB       LEU 129  22.397 -14.765   8.784
  839   2HB   LEU 129          2HB       LEU 129  21.883 -16.232   9.605
  840    HG   LEU 129           HG       LEU 129  20.960 -13.403  10.180
  841   1HD1  LEU 129          1HD1      LEU 129  19.831 -14.234   8.264
  842   2HD1  LEU 129          2HD1      LEU 129  18.719 -14.540   9.597
  843   3HD1  LEU 129          3HD1      LEU 129  19.692 -15.857   8.941
  844   1HD2  LEU 129          1HD2      LEU 129  20.590 -15.978  11.701
  845   2HD2  LEU 129          2HD2      LEU 129  19.318 -14.756  11.725
  846   3HD2  LEU 129          3HD2      LEU 129  20.928 -14.360  12.320
  847    H    GLY 130           H        GLY 130  25.633 -14.739  11.428
  848   1HA   GLY 130          1HA       GLY 130  26.888 -15.950   9.172
  849   2HA   GLY 130          2HA       GLY 130  27.672 -15.647  10.719
  850    H    ALA 131           H        ALA 131  24.821 -17.740  10.141
  851    HA   ALA 131           HA       ALA 131  26.467 -20.160  10.441
  852   1HB   ALA 131          1HB       ALA 131  26.240 -19.807  12.753
  853   2HB   ALA 131          2HB       ALA 131  24.887 -20.879  12.395
  854   3HB   ALA 131          3HB       ALA 131  24.614 -19.147  12.591
  855    H    SER 132           H        SER 132  23.035 -19.112  10.739
  856    HA   SER 132           HA       SER 132  22.266 -21.401   8.986
  857   1HB   SER 132          1HB       SER 132  20.481 -19.473  10.500
  858   2HB   SER 132          2HB       SER 132  20.003 -20.995   9.749
  859    HG   SER 132           HG       SER 132  21.424 -22.052  11.205
  860    H    THR 133           H        THR 133  23.639 -19.113   7.854
  861    HA   THR 133           HA       THR 133  21.724 -17.335   6.643
  862    HB   THR 133           HB       THR 133  24.302 -17.711   5.211
  863    HG1  THR 133           HG1      THR 133  24.394 -16.753   7.852
  864   1HG2  THR 133          1HG2      THR 133  24.361 -15.370   5.252
  865   2HG2  THR 133          2HG2      THR 133  23.406 -15.273   6.731
  866   3HG2  THR 133          3HG2      THR 133  22.630 -15.707   5.208
  867    HA   PRO 134           HA       PRO 134  20.694 -20.433   3.440
  868   1HB   PRO 134          1HB       PRO 134  18.570 -19.167   2.327
  869   2HB   PRO 134          2HB       PRO 134  18.466 -19.955   3.911
  870   1HG   PRO 134          1HG       PRO 134  18.791 -17.059   3.247
  871   2HG   PRO 134          2HG       PRO 134  17.786 -17.820   4.492
  872   1HD   PRO 134          1HD       PRO 134  20.273 -16.677   4.975
  873   2HD   PRO 134          2HD       PRO 134  19.543 -17.922   6.004
  874    H    ASP 135           H        ASP 135  20.020 -19.975   0.916
  875    HA   ASP 135           HA       ASP 135  22.159 -18.181  -0.169
  876   1HB   ASP 135          1HB       ASP 135  22.205 -20.713  -0.618
  877   2HB   ASP 135          2HB       ASP 135  20.782 -20.450  -1.625
  878    H    LEU 136           H        LEU 136  21.408 -16.382  -1.109
  879    HA   LEU 136           HA       LEU 136  18.560 -16.044  -1.674
  880   1HB   LEU 136          1HB       LEU 136  20.913 -14.211  -2.197
  881   2HB   LEU 136          2HB       LEU 136  19.217 -13.757  -2.344
  882    HG   LEU 136           HG       LEU 136  20.543 -14.736   0.202
  883   1HD1  LEU 136          1HD1      LEU 136  20.435 -12.428   0.938
  884   2HD1  LEU 136          2HD1      LEU 136  19.588 -11.953  -0.533
  885   3HD1  LEU 136          3HD1      LEU 136  21.273 -12.468  -0.614
  886   1HD2  LEU 136          1HD2      LEU 136  17.729 -13.959  -0.542
  887   2HD2  LEU 136          2HD2      LEU 136  18.308 -13.639   1.091
  888   3HD2  LEU 136          3HD2      LEU 136  18.288 -15.289   0.479
  889    H    GLN 137           H        GLN 137  17.577 -16.090  -3.628
  890    HA   GLN 137           HA       GLN 137  19.252 -16.437  -6.089
  891   1HB   GLN 137          1HB       GLN 137  16.602 -17.826  -5.666
  892   2HB   GLN 137          2HB       GLN 137  17.860 -18.194  -6.843
  893   1HG   GLN 137          1HG       GLN 137  18.025 -18.583  -3.844
  894   2HG   GLN 137          2HG       GLN 137  17.938 -19.853  -5.064
  895   1HE2  GLN 137          1HE2      GLN 137  20.174 -18.590  -3.060
  896   2HE2  GLN 137          2HE2      GLN 137  21.551 -18.653  -4.040
  897   1H5*  ATP   1          1H5*      ATP   1   9.618   1.624  19.500
  898   2H5*  ATP   1          2H5*      ATP   1  10.799   1.465  20.757
  899    H4*  ATP   1           H4*      ATP   1  11.083   3.793  18.812
  900    H3*  ATP   1           H3*      ATP   1  12.006   3.252  21.608
  901   *HO3  ATP   1          *HO3      ATP   1  13.202   4.000  19.799
  902    H2*  ATP   1           H2*      ATP   1  10.410   4.586  22.601
  903   *HO2  ATP   1          *HO2      ATP   1  12.276   6.037  21.326
  904    H1*  ATP   1           H1*      ATP   1   9.918   5.981  19.922
  905    H8   ATP   1           H8       ATP   1   7.971   7.593  20.308
  906    H2   ATP   1           H2       ATP   1   7.177   2.731  24.440
  907   1HN6  ATP   1          1HN6      ATP   1   3.703   5.593  24.355
  908   2HN6  ATP   1          2HN6      ATP   1   3.901   6.503  22.878
  Start of MODEL   16
    1   1H    GLY  17          1H        GLY  17  49.645 -14.740  -7.381
    2   2H    GLY  17          2H        GLY  17  48.626 -14.099  -8.580
    3   3H    GLY  17          3H        GLY  17  49.941 -13.190  -8.004
    4   1HA   GLY  17          1HA       GLY  17  51.438 -14.987  -8.866
    5   2HA   GLY  17          2HA       GLY  17  50.013 -15.631  -9.680
    6    H    ALA  18           H        ALA  18  50.239 -15.080 -11.808
    7    HA   ALA  18           HA       ALA  18  51.587 -12.673 -12.668
    8   1HB   ALA  18          1HB       ALA  18  51.572 -13.783 -14.664
    9   2HB   ALA  18          2HB       ALA  18  49.809 -13.787 -14.705
   10   3HB   ALA  18          3HB       ALA  18  50.675 -15.072 -13.868
   11    HA   PRO  19           HA       PRO  19  48.598  -9.436 -12.902
   12   1HB   PRO  19          1HB       PRO  19  48.248  -9.986 -15.842
   13   2HB   PRO  19          2HB       PRO  19  48.469  -8.434 -15.009
   14   1HG   PRO  19          1HG       PRO  19  50.496  -9.605 -16.275
   15   2HG   PRO  19          2HG       PRO  19  50.748  -8.767 -14.735
   16   1HD   PRO  19          1HD       PRO  19  50.714 -11.705 -15.303
   17   2HD   PRO  19          2HD       PRO  19  51.592 -10.813 -14.043
   18    H    GLU  20           H        GLU  20  46.866 -10.382 -11.738
   19    HA   GLU  20           HA       GLU  20  45.040 -12.273 -12.994
   20   1HB   GLU  20          1HB       GLU  20  44.719 -10.659 -10.444
   21   2HB   GLU  20          2HB       GLU  20  43.740 -12.047 -10.921
   22   1HG   GLU  20          1HG       GLU  20  46.745 -12.136 -10.519
   23   2HG   GLU  20          2HG       GLU  20  45.567 -12.634  -9.305
   24    H    GLY  21           H        GLY  21  45.139 -10.164 -14.713
   25   1HA   GLY  21          1HA       GLY  21  43.309  -8.038 -14.280
   26   2HA   GLY  21          2HA       GLY  21  43.745  -8.671 -15.867
   27    HA   PRO  22           HA       PRO  22  39.780 -10.572 -16.215
   28   1HB   PRO  22          1HB       PRO  22  40.282 -12.963 -17.415
   29   2HB   PRO  22          2HB       PRO  22  40.540 -11.416 -18.244
   30   1HG   PRO  22          1HG       PRO  22  42.532 -13.194 -16.889
   31   2HG   PRO  22          2HG       PRO  22  42.654 -12.356 -18.445
   32   1HD   PRO  22          1HD       PRO  22  43.794 -11.397 -16.126
   33   2HD   PRO  22          2HD       PRO  22  43.256 -10.338 -17.447
   34    H    GLY  23           H        GLY  23  41.908 -11.735 -13.949
   35   1HA   GLY  23          1HA       GLY  23  40.510 -14.180 -13.188
   36   2HA   GLY  23          2HA       GLY  23  41.769 -13.374 -12.252
   37    HA   PRO  24           HA       PRO  24  37.497 -13.022 -10.173
   38   1HB   PRO  24          1HB       PRO  24  39.495 -13.180  -7.928
   39   2HB   PRO  24          2HB       PRO  24  37.861 -13.866  -8.028
   40   1HG   PRO  24          1HG       PRO  24  40.006 -15.397  -8.388
   41   2HG   PRO  24          2HG       PRO  24  38.551 -15.627  -9.373
   42   1HD   PRO  24          1HD       PRO  24  41.177 -14.395 -10.135
   43   2HD   PRO  24          2HD       PRO  24  40.026 -15.301 -11.141
   44    H    SER  25           H        SER  25  40.348 -11.195 -10.489
   45    HA   SER  25           HA       SER  25  40.117  -9.114  -8.636
   46   1HB   SER  25          1HB       SER  25  41.365  -7.770 -10.147
   47   2HB   SER  25          2HB       SER  25  41.859  -9.424 -10.506
   48    HG   SER  25           HG       SER  25  41.113  -9.157 -12.429
   49    H    GLY  26           H        GLY  26  39.021  -7.050  -8.723
   50   1HA   GLY  26          1HA       GLY  26  37.284  -5.567  -9.342
   51   2HA   GLY  26          2HA       GLY  26  36.964  -6.585 -10.746
   52    H    GLY  27           H        GLY  27  37.075  -7.702  -7.389
   53   1HA   GLY  27          1HA       GLY  27  34.491  -8.996  -7.677
   54   2HA   GLY  27          2HA       GLY  27  35.454  -8.932  -6.200
   55    H    ALA  28           H        ALA  28  35.622  -5.940  -6.404
   56    HA   ALA  28           HA       ALA  28  33.465  -5.250  -4.712
   57   1HB   ALA  28          1HB       ALA  28  35.505  -3.874  -4.941
   58   2HB   ALA  28          2HB       ALA  28  34.055  -2.905  -5.205
   59   3HB   ALA  28          3HB       ALA  28  35.023  -3.436  -6.580
   60    H    GLN  29           H        GLN  29  33.760  -5.025  -8.245
   61    HA   GLN  29           HA       GLN  29  31.202  -3.709  -8.599
   62   1HB   GLN  29          1HB       GLN  29  33.009  -5.236 -10.489
   63   2HB   GLN  29          2HB       GLN  29  31.506  -4.471 -11.005
   64   1HG   GLN  29          1HG       GLN  29  33.361  -2.939 -11.410
   65   2HG   GLN  29          2HG       GLN  29  32.358  -2.298 -10.109
   66   1HE2  GLN  29          1HE2      GLN  29  34.094  -1.154  -9.038
   67   2HE2  GLN  29          2HE2      GLN  29  35.376  -1.964  -8.277
   68    H    GLY  30           H        GLY  30  29.210  -4.642  -8.568
   69   1HA   GLY  30          1HA       GLY  30  28.394  -7.066  -9.631
   70   2HA   GLY  30          2HA       GLY  30  28.949  -7.485  -8.010
   71    H    GLY  31           H        GLY  31  27.129  -4.699  -9.341
   72   1HA   GLY  31          1HA       GLY  31  24.597  -5.305  -8.324
   73   2HA   GLY  31          2HA       GLY  31  25.452  -4.522  -6.995
   74    H    SER  32           H        SER  32  26.805  -2.496  -7.991
   75    HA   SER  32           HA       SER  32  25.447  -1.058 -10.119
   76   1HB   SER  32          1HB       SER  32  25.100   0.034  -7.314
   77   2HB   SER  32          2HB       SER  32  24.415   0.678  -8.806
   78    HG   SER  32           HG       SER  32  23.534  -1.658  -8.879
   79    H    ILE  33           H        ILE  33  26.341   1.266 -10.210
   80    HA   ILE  33           HA       ILE  33  28.765   1.821  -8.701
   81    HB   ILE  33           HB       ILE  33  29.705   0.172 -10.224
   82   1HG1  ILE  33          1HG1      ILE  33  31.403   1.508 -11.337
   83   2HG1  ILE  33          2HG1      ILE  33  30.373   2.934 -11.301
   84   1HG2  ILE  33          1HG2      ILE  33  27.879   0.331 -11.915
   85   2HG2  ILE  33          2HG2      ILE  33  29.484   0.377 -12.644
   86   3HG2  ILE  33          3HG2      ILE  33  28.556   1.865 -12.461
   87   1HD1  ILE  33          1HD1      ILE  33  31.126   1.534  -8.737
   88   2HD1  ILE  33          2HD1      ILE  33  30.627   3.209  -8.978
   89   3HD1  ILE  33          3HD1      ILE  33  32.232   2.686  -9.486
   90    H    HIS  34           H        HIS  34  26.717   2.517 -11.503
   91    HA   HIS  34           HA       HIS  34  27.691   5.262 -11.748
   92   1HB   HIS  34          1HB       HIS  34  26.789   4.009 -13.695
   93   2HB   HIS  34          2HB       HIS  34  25.207   3.967 -12.915
   94    HD1  HIS  34           HD1      HIS  34  27.751   6.760 -13.528
   95    HD2  HIS  34           HD2      HIS  34  23.680   5.988 -13.990
   96    HE1  HIS  34           HE1      HIS  34  26.724   8.873 -14.475
   97    H    SER  35           H        SER  35  24.275   4.352 -11.406
   98    HA   SER  35           HA       SER  35  23.999   5.683  -8.827
   99   1HB   SER  35          1HB       SER  35  22.564   7.519  -9.625
  100   2HB   SER  35          2HB       SER  35  24.175   7.640 -10.332
  101    HG   SER  35           HG       SER  35  23.367   7.289 -12.232
  102    H    GLY  36           H        GLY  36  21.158   6.423  -9.966
  103   1HA   GLY  36          1HA       GLY  36  19.098   5.306 -10.295
  104   2HA   GLY  36          2HA       GLY  36  19.987   3.793 -10.476
  105    H    ARG  37           H        ARG  37  21.425   4.411  -7.867
  106    HA   ARG  37           HA       ARG  37  19.606   2.977  -6.139
  107   1HB   ARG  37          1HB       ARG  37  22.108   2.849  -5.988
  108   2HB   ARG  37          2HB       ARG  37  22.112   4.500  -5.369
  109   1HG   ARG  37          1HG       ARG  37  20.668   3.791  -3.488
  110   2HG   ARG  37          2HG       ARG  37  20.690   2.138  -4.102
  111   1HD   ARG  37          1HD       ARG  37  23.226   3.647  -3.440
  112   2HD   ARG  37          2HD       ARG  37  22.371   2.673  -2.244
  113    HE   ARG  37           HE       ARG  37  22.858   1.160  -4.659
  114   1HH1  ARG  37          1HH1      ARG  37  24.267   2.426  -1.779
  115   2HH1  ARG  37          2HH1      ARG  37  25.484   1.197  -1.676
  116   1HH2  ARG  37          1HH2      ARG  37  24.438  -0.451  -4.541
  117   2HH2  ARG  37          2HH2      ARG  37  25.581  -0.432  -3.240
  118    H    ILE  38           H        ILE  38  18.329   3.767  -4.457
  119    HA   ILE  38           HA       ILE  38  18.390   6.687  -3.870
  120    HB   ILE  38           HB       ILE  38  15.864   5.195  -4.676
  121   1HG1  ILE  38          1HG1      ILE  38  17.591   7.228  -6.109
  122   2HG1  ILE  38          2HG1      ILE  38  17.226   5.584  -6.630
  123   1HG2  ILE  38          1HG2      ILE  38  14.725   7.292  -4.423
  124   2HG2  ILE  38          2HG2      ILE  38  16.237   8.170  -4.212
  125   3HG2  ILE  38          3HG2      ILE  38  15.663   7.083  -2.949
  126   1HD1  ILE  38          1HD1      ILE  38  15.771   6.944  -7.918
  127   2HD1  ILE  38          2HD1      ILE  38  15.371   7.965  -6.537
  128   3HD1  ILE  38          3HD1      ILE  38  14.754   6.315  -6.621
  129    H    ALA  39           H        ALA  39  19.028   6.307  -1.768
  130    HA   ALA  39           HA       ALA  39  17.587   4.327  -0.111
  131   1HB   ALA  39          1HB       ALA  39  19.927   4.416   0.315
  132   2HB   ALA  39          2HB       ALA  39  19.178   5.248   1.679
  133   3HB   ALA  39          3HB       ALA  39  19.925   6.179   0.380
  134    H    ALA  40           H        ALA  40  15.583   5.017   0.508
  135    HA   ALA  40           HA       ALA  40  15.395   7.504   2.091
  136   1HB   ALA  40          1HB       ALA  40  14.905   7.919  -0.453
  137   2HB   ALA  40          2HB       ALA  40  13.809   8.593   0.751
  138   3HB   ALA  40          3HB       ALA  40  13.374   7.117  -0.111
  139    H    VAL  41           H        VAL  41  12.804   7.656   2.635
  140    HA   VAL  41           HA       VAL  41  12.266   5.164   4.086
  141    HB   VAL  41           HB       VAL  41  10.690   7.746   3.900
  142   1HG1  VAL  41          1HG1      VAL  41   9.598   6.899   5.987
  143   2HG1  VAL  41          2HG1      VAL  41  10.405   5.354   5.735
  144   3HG1  VAL  41          3HG1      VAL  41   9.219   5.933   4.563
  145   1HG2  VAL  41          1HG2      VAL  41  12.924   8.009   4.929
  146   2HG2  VAL  41          2HG2      VAL  41  12.566   6.684   6.035
  147   3HG2  VAL  41          3HG2      VAL  41  11.651   8.189   6.134
  148    H    HIS  42           H        HIS  42  10.563   3.752   3.665
  149    HA   HIS  42           HA       HIS  42   8.713   4.308   1.411
  150   1HB   HIS  42          1HB       HIS  42  10.771   2.104   1.499
  151   2HB   HIS  42          2HB       HIS  42   9.298   1.924   0.552
  152    HD1  HIS  42           HD1      HIS  42   9.330   2.887  -1.741
  153    HD2  HIS  42           HD2      HIS  42  12.326   4.515   0.649
  154    HE1  HIS  42           HE1      HIS  42  10.743   4.339  -3.253
  155    H    ASN  43           H        ASN  43   6.983   2.648   1.315
  156    HA   ASN  43           HA       ASN  43   6.395   1.523   4.017
  157   1HB   ASN  43          1HB       ASN  43   4.080   1.211   2.956
  158   2HB   ASN  43          2HB       ASN  43   4.590   2.872   3.252
  159   1HD2  ASN  43          1HD2      ASN  43   2.856   3.125   1.390
  160   2HD2  ASN  43          2HD2      ASN  43   3.473   3.081  -0.186
  161    H    VAL  44           H        VAL  44   7.613  -0.400   3.914
  162    HA   VAL  44           HA       VAL  44   7.371  -2.147   1.569
  163    HB   VAL  44           HB       VAL  44   9.500  -1.759   2.948
  164   1HG1  VAL  44          1HG1      VAL  44   9.827  -3.050   4.926
  165   2HG1  VAL  44          2HG1      VAL  44   8.293  -3.893   4.712
  166   3HG1  VAL  44          3HG1      VAL  44   8.307  -2.187   5.154
  167   1HG2  VAL  44          1HG2      VAL  44  10.272  -4.056   2.586
  168   2HG2  VAL  44          2HG2      VAL  44   9.273  -3.530   1.234
  169   3HG2  VAL  44          3HG2      VAL  44   8.606  -4.611   2.458
  170    HA   PRO  45           HA       PRO  45   3.656  -4.186   3.184
  171   1HB   PRO  45          1HB       PRO  45   4.835  -6.552   1.766
  172   2HB   PRO  45          2HB       PRO  45   3.173  -5.935   1.731
  173   1HG   PRO  45          1HG       PRO  45   4.843  -5.491  -0.288
  174   2HG   PRO  45          2HG       PRO  45   3.707  -4.244   0.247
  175   1HD   PRO  45          1HD       PRO  45   6.667  -4.409   0.666
  176   2HD   PRO  45          2HD       PRO  45   5.632  -2.981   0.468
  177    H    LEU  46           H        LEU  46   3.201  -5.350   5.013
  178    HA   LEU  46           HA       LEU  46   5.322  -6.212   6.740
  179   1HB   LEU  46          1HB       LEU  46   2.371  -6.861   6.785
  180   2HB   LEU  46          2HB       LEU  46   3.480  -7.186   8.102
  181    HG   LEU  46           HG       LEU  46   3.396  -4.373   7.081
  182   1HD1  LEU  46          1HD1      LEU  46   1.038  -4.905   7.143
  183   2HD1  LEU  46          2HD1      LEU  46   1.431  -3.884   8.529
  184   3HD1  LEU  46          3HD1      LEU  46   1.205  -5.619   8.746
  185   1HD2  LEU  46          1HD2      LEU  46   3.580  -5.640   9.829
  186   2HD2  LEU  46          2HD2      LEU  46   3.556  -3.904   9.542
  187   3HD2  LEU  46          3HD2      LEU  46   4.891  -4.876   8.930
  188    H    SER  47           H        SER  47   3.265  -7.817   4.436
  189    HA   SER  47           HA       SER  47   3.681 -10.510   5.231
  190   1HB   SER  47          1HB       SER  47   3.092 -11.002   2.804
  191   2HB   SER  47          2HB       SER  47   1.924 -10.037   3.703
  192    HG   SER  47           HG       SER  47   2.266  -8.996   1.794
  193    H    VAL  48           H        VAL  48   5.796  -8.394   3.339
  194    HA   VAL  48           HA       VAL  48   7.510 -10.743   2.659
  195    HB   VAL  48           HB       VAL  48   8.572  -9.364   1.033
  196   1HG1  VAL  48          1HG1      VAL  48   6.184 -10.212   0.633
  197   2HG1  VAL  48          2HG1      VAL  48   6.764  -8.932  -0.432
  198   3HG1  VAL  48          3HG1      VAL  48   5.674  -8.546   0.897
  199   1HG2  VAL  48          1HG2      VAL  48   8.841  -7.285   2.220
  200   2HG2  VAL  48          2HG2      VAL  48   7.097  -7.064   2.331
  201   3HG2  VAL  48          3HG2      VAL  48   7.899  -6.949   0.770
  202    H    LEU  49           H        LEU  49   7.387  -9.414   5.412
  203    HA   LEU  49           HA       LEU  49  10.127  -8.296   5.615
  204   1HB   LEU  49          1HB       LEU  49   7.940  -8.747   7.676
  205   2HB   LEU  49          2HB       LEU  49   9.529  -8.098   8.062
  206    HG   LEU  49           HG       LEU  49   7.524  -6.847   6.159
  207   1HD1  LEU  49          1HD1      LEU  49   8.500  -5.958   8.890
  208   2HD1  LEU  49          2HD1      LEU  49   6.950  -6.740   8.589
  209   3HD1  LEU  49          3HD1      LEU  49   7.285  -5.150   7.901
  210   1HD2  LEU  49          1HD2      LEU  49   9.535  -6.060   5.301
  211   2HD2  LEU  49          2HD2      LEU  49  10.383  -6.224   6.837
  212   3HD2  LEU  49          3HD2      LEU  49   9.281  -4.875   6.580
  213    H    ILE  50           H        ILE  50  11.823  -9.556   6.145
  214    HA   ILE  50           HA       ILE  50  11.321 -12.391   6.880
  215    HB   ILE  50           HB       ILE  50  13.933 -11.066   6.174
  216   1HG1  ILE  50          1HG1      ILE  50  11.813 -12.303   4.407
  217   2HG1  ILE  50          2HG1      ILE  50  12.378 -10.640   4.364
  218   1HG2  ILE  50          1HG2      ILE  50  14.707 -13.266   5.743
  219   2HG2  ILE  50          2HG2      ILE  50  13.074 -13.931   5.779
  220   3HG2  ILE  50          3HG2      ILE  50  13.836 -13.379   7.271
  221   1HD1  ILE  50          1HD1      ILE  50  13.516 -11.720   2.586
  222   2HD1  ILE  50          2HD1      ILE  50  13.884 -13.134   3.574
  223   3HD1  ILE  50          3HD1      ILE  50  14.703 -11.602   3.883
  224    H    ARG  51           H        ARG  51  11.412 -12.917   8.964
  225    HA   ARG  51           HA       ARG  51  13.401 -11.585  10.758
  226   1HB   ARG  51          1HB       ARG  51  10.458 -12.088  11.230
  227   2HB   ARG  51          2HB       ARG  51  11.589 -11.868  12.565
  228   1HG   ARG  51          1HG       ARG  51  12.279  -9.706  11.589
  229   2HG   ARG  51          2HG       ARG  51  11.084  -9.904  10.311
  230   1HD   ARG  51          1HD       ARG  51   9.272  -9.842  11.899
  231   2HD   ARG  51          2HD       ARG  51  10.388  -9.930  13.261
  232    HE   ARG  51           HE       ARG  51   9.684  -7.525  11.799
  233   1HH1  ARG  51          1HH1      ARG  51  12.151  -9.203  13.526
  234   2HH1  ARG  51          2HH1      ARG  51  12.972  -7.760  14.021
  235   1HH2  ARG  51          1HH2      ARG  51  10.741  -5.631  12.435
  236   2HH2  ARG  51          2HH2      ARG  51  12.174  -5.738  13.403
  237    HA   PRO  52           HA       PRO  52  13.687 -16.123  11.419
  238   1HB   PRO  52          1HB       PRO  52  16.264 -16.486  10.880
  239   2HB   PRO  52          2HB       PRO  52  15.136 -16.101   9.563
  240   1HG   PRO  52          1HG       PRO  52  17.099 -14.330  10.963
  241   2HG   PRO  52          2HG       PRO  52  16.657 -14.381   9.252
  242   1HD   PRO  52          1HD       PRO  52  15.592 -12.602  11.220
  243   2HD   PRO  52          2HD       PRO  52  14.965 -12.844   9.575
  244    H    LEU  53           H        LEU  53  14.004 -13.805  13.426
  245    HA   LEU  53           HA       LEU  53  15.720 -15.284  15.383
  246   1HB   LEU  53          1HB       LEU  53  16.653 -13.101  14.111
  247   2HB   LEU  53          2HB       LEU  53  15.772 -12.288  15.396
  248    HG   LEU  53           HG       LEU  53  17.046 -13.643  17.072
  249   1HD1  LEU  53          1HD1      LEU  53  17.867 -15.598  16.154
  250   2HD1  LEU  53          2HD1      LEU  53  19.282 -14.598  15.860
  251   3HD1  LEU  53          3HD1      LEU  53  18.120 -14.879  14.564
  252   1HD2  LEU  53          1HD2      LEU  53  18.999 -12.292  16.952
  253   2HD2  LEU  53          2HD2      LEU  53  17.771 -11.347  16.109
  254   3HD2  LEU  53          3HD2      LEU  53  18.970 -12.263  15.189
  255    HA   PRO  54           HA       PRO  54  11.610 -14.729  17.404
  256   1HB   PRO  54          1HB       PRO  54  13.239 -15.935  19.625
  257   2HB   PRO  54          2HB       PRO  54  11.589 -16.325  19.100
  258   1HG   PRO  54          1HG       PRO  54  13.626 -17.898  18.451
  259   2HG   PRO  54          2HG       PRO  54  12.332 -17.567  17.286
  260   1HD   PRO  54          1HD       PRO  54  15.128 -16.477  17.370
  261   2HD   PRO  54          2HD       PRO  54  14.116 -16.875  15.968
  262    H    SER  55           H        SER  55  10.967 -13.621  19.523
  263    HA   SER  55           HA       SER  55  12.997 -11.922  20.788
  264   1HB   SER  55          1HB       SER  55  10.866 -10.785  18.970
  265   2HB   SER  55          2HB       SER  55  11.673  -9.822  20.203
  266    HG   SER  55           HG       SER  55  13.669 -10.743  19.137
  267    H    VAL  56           H        VAL  56  12.026 -10.630  22.551
  268    HA   VAL  56           HA       VAL  56   9.572 -11.945  23.652
  269    HB   VAL  56           HB       VAL  56  11.869 -11.976  24.910
  270   1HG1  VAL  56          1HG1      VAL  56  10.911  -9.259  25.834
  271   2HG1  VAL  56          2HG1      VAL  56  12.157  -9.441  24.601
  272   3HG1  VAL  56          3HG1      VAL  56  12.427 -10.068  26.224
  273   1HG2  VAL  56          1HG2      VAL  56   9.877 -12.768  25.984
  274   2HG2  VAL  56          2HG2      VAL  56   9.247 -11.131  26.162
  275   3HG2  VAL  56          3HG2      VAL  56  10.642 -11.646  27.109
  276    H    LEU  57           H        LEU  57   7.763 -10.723  23.546
  277    HA   LEU  57           HA       LEU  57   8.042  -7.764  23.243
  278   1HB   LEU  57          1HB       LEU  57   5.640  -9.513  22.725
  279   2HB   LEU  57          2HB       LEU  57   5.788  -7.804  22.344
  280    HG   LEU  57           HG       LEU  57   7.523 -10.003  21.175
  281   1HD1  LEU  57          1HD1      LEU  57   5.151  -8.447  20.115
  282   2HD1  LEU  57          2HD1      LEU  57   5.326 -10.198  20.237
  283   3HD1  LEU  57          3HD1      LEU  57   6.277  -9.297  19.056
  284   1HD2  LEU  57          1HD2      LEU  57   7.499  -6.999  20.959
  285   2HD2  LEU  57          2HD2      LEU  57   7.997  -7.958  19.565
  286   3HD2  LEU  57          3HD2      LEU  57   8.872  -8.100  21.086
  287    H    ASP  58           H        ASP  58   6.945  -6.377  24.509
  288    HA   ASP  58           HA       ASP  58   5.890  -7.416  27.084
  289   1HB   ASP  58          1HB       ASP  58   7.624  -5.855  27.448
  290   2HB   ASP  58          2HB       ASP  58   7.091  -4.812  26.158
  291    HA   PRO  59           HA       PRO  59   1.882  -6.245  25.367
  292   1HB   PRO  59          1HB       PRO  59   0.311  -6.576  27.560
  293   2HB   PRO  59          2HB       PRO  59   1.032  -7.949  26.697
  294   1HG   PRO  59          1HG       PRO  59   1.959  -6.593  29.203
  295   2HG   PRO  59          2HG       PRO  59   1.833  -8.317  28.847
  296   1HD   PRO  59          1HD       PRO  59   4.203  -6.942  28.678
  297   2HD   PRO  59          2HD       PRO  59   3.839  -8.360  27.671
  298    H    ALA  60           H        ALA  60   3.304  -4.541  28.061
  299    HA   ALA  60           HA       ALA  60   1.236  -2.448  28.088
  300   1HB   ALA  60          1HB       ALA  60   2.885  -1.335  29.679
  301   2HB   ALA  60          2HB       ALA  60   3.884  -2.779  29.512
  302   3HB   ALA  60          3HB       ALA  60   2.264  -2.902  30.199
  303    H    LYS  61           H        LYS  61   4.632  -2.734  27.029
  304    HA   LYS  61           HA       LYS  61   4.795  -0.019  26.115
  305   1HB   LYS  61          1HB       LYS  61   6.605  -2.090  26.512
  306   2HB   LYS  61          2HB       LYS  61   6.577  -1.958  24.761
  307   1HG   LYS  61          1HG       LYS  61   6.960   0.525  25.027
  308   2HG   LYS  61          2HG       LYS  61   7.184   0.233  26.751
  309   1HD   LYS  61          1HD       LYS  61   8.801  -1.094  24.551
  310   2HD   LYS  61          2HD       LYS  61   9.346   0.294  25.491
  311   1HE   LYS  61          1HE       LYS  61   8.832  -1.219  27.565
  312   2HE   LYS  61          2HE       LYS  61   8.893  -2.543  26.400
  313   1HZ   LYS  61          1HZ       LYS  61  11.096  -2.123  25.909
  314   2HZ   LYS  61          2HZ       LYS  61  11.040  -1.843  27.584
  315   3HZ   LYS  61          3HZ       LYS  61  11.047  -0.534  26.500
  316    H    VAL  62           H        VAL  62   3.712  -3.015  24.595
  317    HA   VAL  62           HA       VAL  62   3.737  -2.017  21.887
  318    HB   VAL  62           HB       VAL  62   2.147  -4.227  23.229
  319   1HG1  VAL  62          1HG1      VAL  62   0.809  -3.579  21.366
  320   2HG1  VAL  62          2HG1      VAL  62   1.760  -4.951  20.796
  321   3HG1  VAL  62          3HG1      VAL  62   2.223  -3.308  20.348
  322   1HG2  VAL  62          1HG2      VAL  62   3.732  -5.700  22.212
  323   2HG2  VAL  62          2HG2      VAL  62   4.681  -4.400  22.929
  324   3HG2  VAL  62          3HG2      VAL  62   4.379  -4.414  21.193
  325    H    GLN  63           H        GLN  63   1.173  -2.179  24.383
  326    HA   GLN  63           HA       GLN  63  -0.875  -1.029  22.783
  327   1HB   GLN  63          1HB       GLN  63  -0.380  -1.284  25.727
  328   2HB   GLN  63          2HB       GLN  63  -1.610  -0.129  25.219
  329   1HG   GLN  63          1HG       GLN  63  -1.565  -3.005  24.262
  330   2HG   GLN  63          2HG       GLN  63  -2.459  -2.480  25.688
  331   1HE2  GLN  63          1HE2      GLN  63  -4.395  -1.222  25.358
  332   2HE2  GLN  63          2HE2      GLN  63  -5.063  -0.958  23.821
  333    H    SER  64           H        SER  64   1.725   0.448  24.668
  334    HA   SER  64           HA       SER  64   0.846   3.156  24.476
  335   1HB   SER  64          1HB       SER  64   2.724   2.351  25.932
  336   2HB   SER  64          2HB       SER  64   3.709   2.152  24.483
  337    HG   SER  64           HG       SER  64   4.081   4.199  24.525
  338    H    LEU  65           H        LEU  65   2.707   1.104  22.260
  339    HA   LEU  65           HA       LEU  65   3.230   3.250  20.379
  340   1HB   LEU  65          1HB       LEU  65   3.648   0.299  20.535
  341   2HB   LEU  65          2HB       LEU  65   3.557   0.966  18.915
  342    HG   LEU  65           HG       LEU  65   5.322   2.281  20.982
  343   1HD1  LEU  65          1HD1      LEU  65   6.110   0.043  21.113
  344   2HD1  LEU  65          2HD1      LEU  65   7.193   0.846  19.976
  345   3HD1  LEU  65          3HD1      LEU  65   5.913  -0.210  19.379
  346   1HD2  LEU  65          1HD2      LEU  65   5.392   2.034  17.957
  347   2HD2  LEU  65          2HD2      LEU  65   6.635   2.833  18.917
  348   3HD2  LEU  65          3HD2      LEU  65   4.996   3.479  18.886
  349    H    VAL  66           H        VAL  66   0.938   0.513  20.485
  350    HA   VAL  66           HA       VAL  66  -0.433   1.029  18.074
  351    HB   VAL  66           HB       VAL  66  -1.305  -0.102  20.735
  352   1HG1  VAL  66          1HG1      VAL  66  -3.349   0.727  19.866
  353   2HG1  VAL  66          2HG1      VAL  66  -3.310  -0.978  19.420
  354   3HG1  VAL  66          3HG1      VAL  66  -2.926   0.257  18.220
  355   1HG2  VAL  66          1HG2      VAL  66  -1.214  -2.222  19.546
  356   2HG2  VAL  66          2HG2      VAL  66   0.310  -1.368  19.313
  357   3HG2  VAL  66          3HG2      VAL  66  -0.895  -1.388  18.026
  358    H    ASP  67           H        ASP  67  -0.579   2.612  21.203
  359    HA   ASP  67           HA       ASP  67  -2.962   4.174  20.615
  360   1HB   ASP  67          1HB       ASP  67  -0.830   4.216  22.750
  361   2HB   ASP  67          2HB       ASP  67  -1.998   5.525  22.633
  362    H    THR  68           H        THR  68   0.541   4.654  20.323
  363    HA   THR  68           HA       THR  68   0.416   7.462  19.728
  364    HB   THR  68           HB       THR  68   2.526   5.555  18.699
  365    HG1  THR  68           HG1      THR  68   2.045   5.199  20.944
  366   1HG2  THR  68          1HG2      THR  68   2.699   8.391  19.745
  367   2HG2  THR  68          2HG2      THR  68   2.559   7.976  18.037
  368   3HG2  THR  68          3HG2      THR  68   3.980   7.474  18.952
  369    H    ILE  69           H        ILE  69   0.537   4.558  17.673
  370    HA   ILE  69           HA       ILE  69   0.481   5.960  15.178
  371    HB   ILE  69           HB       ILE  69  -0.556   3.175  15.782
  372   1HG1  ILE  69          1HG1      ILE  69   2.227   4.240  15.225
  373   2HG1  ILE  69          2HG1      ILE  69   1.696   3.306  16.617
  374   1HG2  ILE  69          1HG2      ILE  69   0.642   4.275  13.221
  375   2HG2  ILE  69          2HG2      ILE  69  -1.095   4.244  13.521
  376   3HG2  ILE  69          3HG2      ILE  69  -0.189   2.736  13.444
  377   1HD1  ILE  69          1HD1      ILE  69   1.155   1.417  15.000
  378   2HD1  ILE  69          2HD1      ILE  69   2.867   1.772  15.209
  379   3HD1  ILE  69          3HD1      ILE  69   2.019   2.338  13.770
  380    H    ARG  70           H        ARG  70  -2.084   4.713  17.287
  381    HA   ARG  70           HA       ARG  70  -4.210   5.429  15.429
  382   1HB   ARG  70          1HB       ARG  70  -4.016   4.277  18.175
  383   2HB   ARG  70          2HB       ARG  70  -5.505   5.130  17.814
  384   1HG   ARG  70          1HG       ARG  70  -5.844   3.719  15.826
  385   2HG   ARG  70          2HG       ARG  70  -4.327   2.883  16.151
  386   1HD   ARG  70          1HD       ARG  70  -6.519   1.765  16.960
  387   2HD   ARG  70          2HD       ARG  70  -5.177   1.846  18.096
  388    HE   ARG  70           HE       ARG  70  -7.674   3.447  18.221
  389   1HH1  ARG  70          1HH1      ARG  70  -4.502   2.752  19.430
  390   2HH1  ARG  70          2HH1      ARG  70  -4.793   3.495  20.965
  391   1HH2  ARG  70          1HH2      ARG  70  -8.045   4.417  20.217
  392   2HH2  ARG  70          2HH2      ARG  70  -6.789   4.436  21.409
  393    H    GLU  71           H        GLU  71  -2.701   6.992  18.244
  394    HA   GLU  71           HA       GLU  71  -4.659   9.200  18.149
  395   1HB   GLU  71          1HB       GLU  71  -3.709   8.244  20.298
  396   2HB   GLU  71          2HB       GLU  71  -2.170   8.980  19.855
  397   1HG   GLU  71          1HG       GLU  71  -3.299  10.546  21.281
  398   2HG   GLU  71          2HG       GLU  71  -3.415  11.181  19.641
  399    H    ASP  72           H        ASP  72  -1.295   8.587  17.259
  400    HA   ASP  72           HA       ASP  72  -1.301  11.038  15.634
  401   1HB   ASP  72          1HB       ASP  72  -0.645  11.780  17.934
  402   2HB   ASP  72          2HB       ASP  72   0.741  10.695  17.840
  403    HA   PRO  73           HA       PRO  73   1.323   7.687  13.876
  404   1HB   PRO  73          1HB       PRO  73   0.669   8.006  11.261
  405   2HB   PRO  73          2HB       PRO  73  -0.387   7.155  12.404
  406   1HG   PRO  73          1HG       PRO  73  -0.579   9.950  11.364
  407   2HG   PRO  73          2HG       PRO  73  -1.864   8.765  11.645
  408   1HD   PRO  73          1HD       PRO  73  -1.246  10.830  13.388
  409   2HD   PRO  73          2HD       PRO  73  -2.054   9.329  13.884
  410    H    ASP  74           H        ASP  74   1.591  10.996  13.831
  411    HA   ASP  74           HA       ASP  74   3.740  11.140  11.802
  412   1HB   ASP  74          1HB       ASP  74   3.847  13.570  12.720
  413   2HB   ASP  74          2HB       ASP  74   2.419  13.089  11.805
  414    H    SER  75           H        SER  75   3.402  11.443  15.351
  415    HA   SER  75           HA       SER  75   6.226  11.904  15.800
  416   1HB   SER  75          1HB       SER  75   4.262  10.743  17.788
  417   2HB   SER  75          2HB       SER  75   5.706  11.701  18.119
  418    HG   SER  75           HG       SER  75   4.158  13.075  16.465
  419    H    VAL  76           H        VAL  76   5.393   9.449  14.172
  420    HA   VAL  76           HA       VAL  76   6.788   7.375  15.829
  421    HB   VAL  76           HB       VAL  76   4.899   6.709  13.571
  422   1HG1  VAL  76          1HG1      VAL  76   4.734   4.605  14.638
  423   2HG1  VAL  76          2HG1      VAL  76   5.345   5.227  16.170
  424   3HG1  VAL  76          3HG1      VAL  76   6.439   5.021  14.798
  425   1HG2  VAL  76          1HG2      VAL  76   4.171   7.411  16.425
  426   2HG2  VAL  76          2HG2      VAL  76   3.105   6.520  15.338
  427   3HG2  VAL  76          3HG2      VAL  76   3.576   8.174  14.950
  428    HA   PRO  77           HA       PRO  77   9.420   8.077  12.145
  429   1HB   PRO  77          1HB       PRO  77  11.805   7.338  13.209
  430   2HB   PRO  77          2HB       PRO  77  11.047   8.897  13.582
  431   1HG   PRO  77          1HG       PRO  77  11.123   6.384  15.198
  432   2HG   PRO  77          2HG       PRO  77  11.287   8.066  15.727
  433   1HD   PRO  77          1HD       PRO  77   8.937   6.576  15.902
  434   2HD   PRO  77          2HD       PRO  77   8.993   8.352  15.888
  435    HA   PRO  78           HA       PRO  78   9.656   3.950  10.487
  436   1HB   PRO  78          1HB       PRO  78  11.675   4.188   8.658
  437   2HB   PRO  78          2HB       PRO  78  10.088   4.946   8.441
  438   1HG   PRO  78          1HG       PRO  78  12.646   6.150   9.423
  439   2HG   PRO  78          2HG       PRO  78  11.468   6.805   8.275
  440   1HD   PRO  78          1HD       PRO  78  11.548   7.571  10.898
  441   2HD   PRO  78          2HD       PRO  78  10.042   7.538   9.965
  442    H    ILE  79           H        ILE  79  11.255   2.114  10.060
  443    HA   ILE  79           HA       ILE  79  13.347   2.065  12.217
  444    HB   ILE  79           HB       ILE  79  13.073  -0.479  11.905
  445   1HG1  ILE  79          1HG1      ILE  79  10.349   0.231  10.804
  446   2HG1  ILE  79          2HG1      ILE  79  11.708   0.025   9.697
  447   1HG2  ILE  79          1HG2      ILE  79  10.800  -0.373  13.203
  448   2HG2  ILE  79          2HG2      ILE  79  11.018   1.373  13.103
  449   3HG2  ILE  79          3HG2      ILE  79  12.226   0.378  13.917
  450   1HD1  ILE  79          1HD1      ILE  79  10.725  -2.016  11.711
  451   2HD1  ILE  79          2HD1      ILE  79  12.123  -2.223  10.657
  452   3HD1  ILE  79          3HD1      ILE  79  10.507  -2.092   9.963
  453    H    ASP  80           H        ASP  80  15.263   0.662  11.666
  454    HA   ASP  80           HA       ASP  80  16.195   1.294   8.943
  455   1HB   ASP  80          1HB       ASP  80  17.459   0.267  11.485
  456   2HB   ASP  80          2HB       ASP  80  18.316   0.131   9.957
  457    H    VAL  81           H        VAL  81  16.369  -0.238   7.335
  458    HA   VAL  81           HA       VAL  81  16.098  -3.127   8.056
  459    HB   VAL  81           HB       VAL  81  14.349  -1.507   6.197
  460   1HG1  VAL  81          1HG1      VAL  81  15.027  -3.321   4.778
  461   2HG1  VAL  81          2HG1      VAL  81  13.442  -3.748   5.419
  462   3HG1  VAL  81          3HG1      VAL  81  14.891  -4.483   6.097
  463   1HG2  VAL  81          1HG2      VAL  81  13.841  -3.569   8.363
  464   2HG2  VAL  81          2HG2      VAL  81  12.579  -2.819   7.384
  465   3HG2  VAL  81          3HG2      VAL  81  13.551  -1.833   8.475
  466    H    LEU  82           H        LEU  82  17.339  -4.460   6.808
  467    HA   LEU  82           HA       LEU  82  19.269  -3.183   4.989
  468   1HB   LEU  82          1HB       LEU  82  18.973  -6.087   5.805
  469   2HB   LEU  82          2HB       LEU  82  20.360  -5.382   4.979
  470    HG   LEU  82           HG       LEU  82  19.475  -4.190   7.609
  471   1HD1  LEU  82          1HD1      LEU  82  20.868  -5.767   8.838
  472   2HD1  LEU  82          2HD1      LEU  82  21.253  -6.630   7.348
  473   3HD1  LEU  82          3HD1      LEU  82  19.605  -6.645   7.977
  474   1HD2  LEU  82          1HD2      LEU  82  22.214  -4.633   6.385
  475   2HD2  LEU  82          2HD2      LEU  82  21.833  -3.638   7.790
  476   3HD2  LEU  82          3HD2      LEU  82  21.271  -3.155   6.191
  477    H    TRP  83           H        TRP  83  19.289  -3.415   2.792
  478    HA   TRP  83           HA       TRP  83  17.087  -5.018   1.527
  479   1HB   TRP  83          1HB       TRP  83  16.860  -2.587   1.270
  480   2HB   TRP  83          2HB       TRP  83  18.497  -2.482   0.666
  481    HD1  TRP  83           HD1      TRP  83  16.631  -5.440  -0.735
  482    HE1  TRP  83           HE1      TRP  83  15.955  -4.916  -3.175
  483    HE3  TRP  83           HE3      TRP  83  17.685  -0.460  -0.876
  484    HZ2  TRP  83           HZ2      TRP  83  15.883  -2.661  -4.947
  485    HZ3  TRP  83           HZ3      TRP  83  17.316   0.856  -2.954
  486    HH2  TRP  83           HH2      TRP  83  16.428  -0.248  -4.983
  487    H    ILE  84           H        ILE  84  18.175  -6.917   0.982
  488    HA   ILE  84           HA       ILE  84  20.734  -6.656  -0.577
  489    HB   ILE  84           HB       ILE  84  19.801  -8.990   1.127
  490   1HG1  ILE  84          1HG1      ILE  84  22.015  -6.994   1.665
  491   2HG1  ILE  84          2HG1      ILE  84  20.427  -6.906   2.416
  492   1HG2  ILE  84          1HG2      ILE  84  22.434  -8.396  -0.260
  493   2HG2  ILE  84          2HG2      ILE  84  21.266  -9.621  -0.758
  494   3HG2  ILE  84          3HG2      ILE  84  22.117  -9.786   0.777
  495   1HD1  ILE  84          1HD1      ILE  84  20.783  -9.265   3.242
  496   2HD1  ILE  84          2HD1      ILE  84  21.878  -8.075   3.945
  497   3HD1  ILE  84          3HD1      ILE  84  22.445  -9.148   2.665
  498    H    LYS  85           H        LYS  85  20.952  -8.015  -2.415
  499    HA   LYS  85           HA       LYS  85  18.367  -9.133  -3.459
  500   1HB   LYS  85          1HB       LYS  85  20.632  -7.623  -4.724
  501   2HB   LYS  85          2HB       LYS  85  19.771  -8.798  -5.714
  502   1HG   LYS  85          1HG       LYS  85  17.664  -7.693  -5.277
  503   2HG   LYS  85          2HG       LYS  85  18.448  -6.591  -4.148
  504   1HD   LYS  85          1HD       LYS  85  19.595  -5.439  -5.844
  505   2HD   LYS  85          2HD       LYS  85  19.400  -6.760  -6.993
  506   1HE   LYS  85          1HE       LYS  85  17.875  -5.092  -7.710
  507   2HE   LYS  85          2HE       LYS  85  16.874  -6.272  -6.875
  508   1HZ   LYS  85          1HZ       LYS  85  17.812  -4.490  -4.967
  509   2HZ   LYS  85          2HZ       LYS  85  16.220  -4.661  -5.539
  510   3HZ   LYS  85          3HZ       LYS  85  17.279  -3.554  -6.278
  511    H    GLY  86           H        GLY  86  18.504 -11.025  -4.768
  512   1HA   GLY  86          1HA       GLY  86  20.578 -12.913  -3.838
  513   2HA   GLY  86          2HA       GLY  86  19.079 -13.347  -4.632
  514    H    ALA  87           H        ALA  87  20.894 -14.670  -5.761
  515    HA   ALA  87           HA       ALA  87  22.626 -13.391  -7.651
  516   1HB   ALA  87          1HB       ALA  87  23.233 -15.587  -7.093
  517   2HB   ALA  87          2HB       ALA  87  22.543 -15.787  -8.703
  518   3HB   ALA  87          3HB       ALA  87  21.587 -16.194  -7.274
  519    H    GLN  88           H        GLN  88  19.250 -13.654  -7.691
  520    HA   GLN  88           HA       GLN  88  19.194 -13.285 -10.671
  521   1HB   GLN  88          1HB       GLN  88  17.051 -14.607  -8.988
  522   2HB   GLN  88          2HB       GLN  88  17.082 -14.463 -10.747
  523   1HG   GLN  88          1HG       GLN  88  19.160 -15.802 -10.811
  524   2HG   GLN  88          2HG       GLN  88  19.102 -15.965  -9.058
  525   1HE2  GLN  88          1HE2      GLN  88  19.026 -18.393  -9.826
  526   2HE2  GLN  88          2HE2      GLN  88  17.479 -19.042 -10.071
  527    H    GLY  89           H        GLY  89  19.236 -11.319  -8.334
  528   1HA   GLY  89          1HA       GLY  89  18.334  -9.134  -8.214
  529   2HA   GLY  89          2HA       GLY  89  17.153  -9.581  -9.432
  530    H    GLY  90           H        GLY  90  16.664 -12.024  -7.449
  531   1HA   GLY  90          1HA       GLY  90  14.233 -11.196  -6.392
  532   2HA   GLY  90          2HA       GLY  90  15.201 -12.472  -5.672
  533    H    ASP  91           H        ASP  91  13.981  -9.374  -5.234
  534    HA   ASP  91           HA       ASP  91  16.013  -8.388  -3.404
  535   1HB   ASP  91          1HB       ASP  91  13.226  -7.497  -4.153
  536   2HB   ASP  91          2HB       ASP  91  14.083  -6.749  -2.815
  537    H    TYR  92           H        TYR  92  16.104  -8.686  -1.244
  538    HA   TYR  92           HA       TYR  92  13.818 -10.046   0.144
  539   1HB   TYR  92          1HB       TYR  92  16.786 -10.625   0.451
  540   2HB   TYR  92          2HB       TYR  92  15.500 -11.357   1.412
  541    HD1  TYR  92           HD1      TYR  92  17.207 -11.328  -1.829
  542    HD2  TYR  92           HD2      TYR  92  13.826 -12.867   0.328
  543    HE1  TYR  92           HE1      TYR  92  16.853 -13.020  -3.587
  544    HE2  TYR  92           HE2      TYR  92  13.476 -14.566  -1.438
  545    HH   TYR  92           HH       TYR  92  15.761 -14.925  -4.118
  546    H    PHE  93           H        PHE  93  13.185  -8.880   1.921
  547    HA   PHE  93           HA       PHE  93  14.968  -6.689   2.856
  548   1HB   PHE  93          1HB       PHE  93  12.006  -7.161   3.325
  549   2HB   PHE  93          2HB       PHE  93  12.918  -5.743   3.817
  550    HD1  PHE  93           HD1      PHE  93  11.127  -7.335   1.122
  551    HD2  PHE  93           HD2      PHE  93  14.073  -4.328   2.004
  552    HE1  PHE  93           HE1      PHE  93  10.803  -6.354  -1.128
  553    HE2  PHE  93           HE2      PHE  93  13.741  -3.354  -0.246
  554    HZ   PHE  93           HZ       PHE  93  12.109  -4.363  -1.813
  555    H    TYR  94           H        TYR  94  16.145  -7.137   4.588
  556    HA   TYR  94           HA       TYR  94  15.172  -9.137   6.588
  557   1HB   TYR  94          1HB       TYR  94  17.841  -8.185   5.617
  558   2HB   TYR  94          2HB       TYR  94  17.746  -8.607   7.324
  559    HD1  TYR  94           HD1      TYR  94  17.489 -10.860   8.048
  560    HD2  TYR  94           HD2      TYR  94  17.279  -9.874   3.876
  561    HE1  TYR  94           HE1      TYR  94  17.613 -13.268   7.466
  562    HE2  TYR  94           HE2      TYR  94  17.405 -12.277   3.298
  563    HH   TYR  94           HH       TYR  94  17.443 -14.778   5.825
  564    H    SER  95           H        SER  95  14.674  -8.453   8.639
  565    HA   SER  95           HA       SER  95  15.386  -5.637   9.414
  566   1HB   SER  95          1HB       SER  95  12.862  -6.305   8.802
  567   2HB   SER  95          2HB       SER  95  12.865  -6.849  10.471
  568    HG   SER  95           HG       SER  95  12.924  -4.869  11.123
  569    H    PHE  96           H        PHE  96  16.300  -5.462  11.387
  570    HA   PHE  96           HA       PHE  96  16.159  -7.764  13.297
  571   1HB   PHE  96          1HB       PHE  96  18.599  -6.221  12.382
  572   2HB   PHE  96          2HB       PHE  96  18.550  -7.159  13.874
  573    HD1  PHE  96           HD1      PHE  96  17.789  -9.635  13.686
  574    HD2  PHE  96           HD2      PHE  96  19.099  -7.293  10.351
  575    HE1  PHE  96           HE1      PHE  96  18.282 -11.712  12.422
  576    HE2  PHE  96           HE2      PHE  96  19.603  -9.354   9.087
  577    HZ   PHE  96           HZ       PHE  96  19.191 -11.571  10.121
  578    H    GLY  97           H        GLY  97  14.644  -6.490  14.458
  579   1HA   GLY  97          1HA       GLY  97  14.976  -5.133  16.645
  580   2HA   GLY  97          2HA       GLY  97  15.569  -3.876  15.560
  581    H    GLY  98           H        GLY  98  13.716  -2.561  16.333
  582   1HA   GLY  98          1HA       GLY  98  11.483  -1.782  16.186
  583   2HA   GLY  98          2HA       GLY  98  11.632  -2.334  14.522
  584    H    CYS  99           H        CYS  99  11.876  -4.652  17.125
  585    HA   CYS  99           HA       CYS  99   9.826  -6.299  16.017
  586   1HB   CYS  99          1HB       CYS  99  10.613  -6.512  18.914
  587   2HB   CYS  99          2HB       CYS  99  10.329  -7.793  17.735
  588    HG   CYS  99           HG       CYS  99  12.724  -7.726  17.136
  589    H    HIS 100           H        HIS 100   9.774  -4.433  19.092
  590    HA   HIS 100           HA       HIS 100   7.056  -4.884  19.692
  591   1HB   HIS 100          1HB       HIS 100   8.919  -2.586  20.299
  592   2HB   HIS 100          2HB       HIS 100   7.248  -2.578  20.857
  593    HD1  HIS 100           HD1      HIS 100  10.243  -4.952  20.952
  594    HD2  HIS 100           HD2      HIS 100   6.947  -3.896  23.283
  595    HE1  HIS 100           HE1      HIS 100  10.428  -6.281  23.101
  596    H    ARG 101           H        ARG 101   8.515  -2.467  17.539
  597    HA   ARG 101           HA       ARG 101   6.050  -1.054  17.054
  598   1HB   ARG 101          1HB       ARG 101   8.646  -1.235  15.514
  599   2HB   ARG 101          2HB       ARG 101   7.288  -0.257  14.961
  600   1HG   ARG 101          1HG       ARG 101   7.296   0.929  17.156
  601   2HG   ARG 101          2HG       ARG 101   8.713  -0.006  17.628
  602   1HD   ARG 101          1HD       ARG 101   8.769   1.561  15.057
  603   2HD   ARG 101          2HD       ARG 101   9.027   2.391  16.591
  604    HE   ARG 101           HE       ARG 101  10.678  -0.008  16.222
  605   1HH1  ARG 101          1HH1      ARG 101  10.306   3.398  15.812
  606   2HH1  ARG 101          2HH1      ARG 101  12.008   3.712  15.771
  607   1HH2  ARG 101          1HH2      ARG 101  12.903   0.387  16.173
  608   2HH2  ARG 101          2HH2      ARG 101  13.478   2.009  15.974
  609    H    TYR 102           H        TYR 102   7.500  -3.943  15.655
  610    HA   TYR 102           HA       TYR 102   5.811  -4.070  13.329
  611   1HB   TYR 102          1HB       TYR 102   7.784  -5.432  13.348
  612   2HB   TYR 102          2HB       TYR 102   7.348  -6.167  14.885
  613    HD1  TYR 102           HD1      TYR 102   5.526  -7.788  15.044
  614    HD2  TYR 102           HD2      TYR 102   6.780  -6.200  11.261
  615    HE1  TYR 102           HE1      TYR 102   4.318  -9.611  13.886
  616    HE2  TYR 102           HE2      TYR 102   5.577  -8.031  10.095
  617    HH   TYR 102           HH       TYR 102   4.723 -10.227  10.511
  618    H    ALA 103           H        ALA 103   5.533  -5.422  16.612
  619    HA   ALA 103           HA       ALA 103   3.114  -6.869  16.228
  620   1HB   ALA 103          1HB       ALA 103   3.817  -5.403  18.777
  621   2HB   ALA 103          2HB       ALA 103   4.663  -6.869  18.278
  622   3HB   ALA 103          3HB       ALA 103   2.930  -6.917  18.599
  623    H    ALA 104           H        ALA 104   3.636  -3.470  17.193
  624    HA   ALA 104           HA       ALA 104   0.885  -2.841  17.590
  625   1HB   ALA 104          1HB       ALA 104   2.468  -1.258  18.398
  626   2HB   ALA 104          2HB       ALA 104   1.676  -0.453  17.043
  627   3HB   ALA 104          3HB       ALA 104   3.279  -1.158  16.834
  628    H    TYR 105           H        TYR 105   2.934  -2.494  14.674
  629    HA   TYR 105           HA       TYR 105   0.811  -1.493  13.018
  630   1HB   TYR 105          1HB       TYR 105   3.570  -2.582  12.628
  631   2HB   TYR 105          2HB       TYR 105   2.513  -2.624  11.226
  632    HD1  TYR 105           HD1      TYR 105   4.384  -0.492  13.532
  633    HD2  TYR 105           HD2      TYR 105   1.577  -0.533  10.284
  634    HE1  TYR 105           HE1      TYR 105   4.805   1.919  13.140
  635    HE2  TYR 105           HE2      TYR 105   1.995   1.880   9.891
  636    HH   TYR 105           HH       TYR 105   3.823   3.813  12.122
  637    H    GLN 106           H        GLN 106   2.085  -4.755  13.639
  638    HA   GLN 106           HA       GLN 106   0.486  -6.139  11.746
  639   1HB   GLN 106          1HB       GLN 106   2.451  -7.063  13.048
  640   2HB   GLN 106          2HB       GLN 106   1.390  -7.170  14.449
  641   1HG   GLN 106          1HG       GLN 106   0.640  -8.441  11.818
  642   2HG   GLN 106          2HG       GLN 106   1.659  -9.287  12.973
  643   1HE2  GLN 106          1HE2      GLN 106   0.656  -9.738  15.174
  644   2HE2  GLN 106          2HE2      GLN 106  -1.032  -9.791  15.311
  645    H    GLN 107           H        GLN 107  -0.089  -5.449  15.205
  646    HA   GLN 107           HA       GLN 107  -2.619  -6.717  15.400
  647   1HB   GLN 107          1HB       GLN 107  -1.340  -5.921  17.360
  648   2HB   GLN 107          2HB       GLN 107  -1.621  -4.253  16.861
  649   1HG   GLN 107          1HG       GLN 107  -3.959  -4.421  17.241
  650   2HG   GLN 107          2HG       GLN 107  -3.900  -6.181  17.337
  651   1HE2  GLN 107          1HE2      GLN 107  -5.032  -5.653  19.524
  652   2HE2  GLN 107          2HE2      GLN 107  -4.023  -5.367  20.859
  653    H    LEU 108           H        LEU 108  -1.761  -3.396  14.442
  654    HA   LEU 108           HA       LEU 108  -4.502  -2.528  14.151
  655   1HB   LEU 108          1HB       LEU 108  -1.913  -1.463  12.994
  656   2HB   LEU 108          2HB       LEU 108  -3.465  -0.645  12.838
  657    HG   LEU 108           HG       LEU 108  -2.209  -1.414  15.494
  658   1HD1  LEU 108          1HD1      LEU 108  -0.960   0.345  14.099
  659   2HD1  LEU 108          2HD1      LEU 108  -1.438   0.822  15.729
  660   3HD1  LEU 108          3HD1      LEU 108  -2.373   1.373  14.337
  661   1HD2  LEU 108          1HD2      LEU 108  -4.747  -0.034  14.672
  662   2HD2  LEU 108          2HD2      LEU 108  -3.936   0.528  16.131
  663   3HD2  LEU 108          3HD2      LEU 108  -4.453  -1.148  16.006
  664    H    GLN 109           H        GLN 109  -3.181  -4.975  12.622
  665    HA   GLN 109           HA       GLN 109  -3.399  -5.956  10.494
  666   1HB   GLN 109          1HB       GLN 109  -5.979  -4.387  10.378
  667   2HB   GLN 109          2HB       GLN 109  -5.640  -5.979   9.697
  668   1HG   GLN 109          1HG       GLN 109  -5.767  -5.284  12.648
  669   2HG   GLN 109          2HG       GLN 109  -6.962  -6.216  11.747
  670   1HE2  GLN 109          1HE2      GLN 109  -5.334  -7.172  14.048
  671   2HE2  GLN 109          2HE2      GLN 109  -4.428  -8.486  13.471
  672    H    ARG 110           H        ARG 110  -2.059  -3.283  10.544
  673    HA   ARG 110           HA       ARG 110  -2.960  -1.737   8.298
  674   1HB   ARG 110          1HB       ARG 110  -0.259  -2.006   9.646
  675   2HB   ARG 110          2HB       ARG 110  -0.552  -0.879   8.326
  676   1HG   ARG 110          1HG       ARG 110  -2.387  -0.842  10.726
  677   2HG   ARG 110          2HG       ARG 110  -0.806  -0.078  10.842
  678   1HD   ARG 110          1HD       ARG 110  -1.289   1.432   9.050
  679   2HD   ARG 110          2HD       ARG 110  -2.736   0.538   8.593
  680    HE   ARG 110           HE       ARG 110  -3.907   1.587  10.370
  681   1HH1  ARG 110          1HH1      ARG 110  -0.497   2.086  10.531
  682   2HH1  ARG 110          2HH1      ARG 110  -0.600   3.291  11.771
  683   1HH2  ARG 110          1HH2      ARG 110  -4.058   3.153  11.989
  684   2HH2  ARG 110          2HH2      ARG 110  -2.615   3.893  12.598
  685    H    GLU 111           H        GLU 111  -2.003  -1.685   6.170
  686    HA   GLU 111           HA       GLU 111  -1.439  -4.373   5.162
  687   1HB   GLU 111          1HB       GLU 111  -1.743  -1.668   3.848
  688   2HB   GLU 111          2HB       GLU 111  -1.255  -3.097   2.937
  689   1HG   GLU 111          1HG       GLU 111  -3.682  -2.826   2.799
  690   2HG   GLU 111          2HG       GLU 111  -3.304  -4.266   3.743
  691    H    THR 112           H        THR 112   0.413  -1.309   5.442
  692    HA   THR 112           HA       THR 112   2.916  -2.929   5.025
  693    HB   THR 112           HB       THR 112   3.836  -0.926   3.820
  694    HG1  THR 112           HG1      THR 112   1.125  -0.127   4.008
  695   1HG2  THR 112          1HG2      THR 112   1.823  -2.811   2.840
  696   2HG2  THR 112          2HG2      THR 112   3.278  -2.217   2.042
  697   3HG2  THR 112          3HG2      THR 112   1.784  -1.296   1.939
  698    H    ILE 113           H        ILE 113   4.867  -1.413   5.641
  699    HA   ILE 113           HA       ILE 113   4.187   0.267   8.009
  700    HB   ILE 113           HB       ILE 113   4.769  -2.079   8.750
  701   1HG1  ILE 113          1HG1      ILE 113   6.769   0.037   9.588
  702   2HG1  ILE 113          2HG1      ILE 113   5.093   0.015  10.139
  703   1HG2  ILE 113          1HG2      ILE 113   7.593  -1.336   7.954
  704   2HG2  ILE 113          2HG2      ILE 113   6.559  -2.291   6.895
  705   3HG2  ILE 113          3HG2      ILE 113   6.989  -2.903   8.492
  706   1HD1  ILE 113          1HD1      ILE 113   6.371  -1.099  11.833
  707   2HD1  ILE 113          2HD1      ILE 113   7.248  -2.053  10.637
  708   3HD1  ILE 113          3HD1      ILE 113   5.540  -2.373  10.939
  709    HA   PRO 114           HA       PRO 114   7.370   2.754   6.004
  710   1HB   PRO 114          1HB       PRO 114   7.895   4.130   8.573
  711   2HB   PRO 114          2HB       PRO 114   7.256   4.797   7.061
  712   1HG   PRO 114          1HG       PRO 114   5.733   4.476   9.271
  713   2HG   PRO 114          2HG       PRO 114   5.078   4.337   7.631
  714   1HD   PRO 114          1HD       PRO 114   5.819   2.155   9.567
  715   2HD   PRO 114          2HD       PRO 114   4.429   2.273   8.474
  716    H    ALA 115           H        ALA 115   9.540   2.378   5.727
  717    HA   ALA 115           HA       ALA 115  11.257   1.614   7.991
  718   1HB   ALA 115          1HB       ALA 115  11.935  -0.524   7.028
  719   2HB   ALA 115          2HB       ALA 115  10.852  -0.282   5.657
  720   3HB   ALA 115          3HB       ALA 115  10.188  -0.528   7.273
  721    H    LYS 116           H        LYS 116  13.300   2.347   7.626
  722    HA   LYS 116           HA       LYS 116  13.857   3.771   5.152
  723   1HB   LYS 116          1HB       LYS 116  14.712   4.096   7.722
  724   2HB   LYS 116          2HB       LYS 116  16.081   3.200   7.079
  725   1HG   LYS 116          1HG       LYS 116  16.342   4.855   5.278
  726   2HG   LYS 116          2HG       LYS 116  14.925   5.724   5.859
  727   1HD   LYS 116          1HD       LYS 116  16.687   6.937   6.825
  728   2HD   LYS 116          2HD       LYS 116  16.212   5.853   8.128
  729   1HE   LYS 116          1HE       LYS 116  18.039   4.337   7.606
  730   2HE   LYS 116          2HE       LYS 116  18.452   5.266   6.165
  731   1HZ   LYS 116          1HZ       LYS 116  19.794   6.443   7.452
  732   2HZ   LYS 116          2HZ       LYS 116  19.203   5.713   8.867
  733   3HZ   LYS 116          3HZ       LYS 116  18.427   7.081   8.226
  734    H    LEU 117           H        LEU 117  14.359   2.574   3.341
  735    HA   LEU 117           HA       LEU 117  15.542  -0.075   3.552
  736   1HB   LEU 117          1HB       LEU 117  15.367   1.712   1.107
  737   2HB   LEU 117          2HB       LEU 117  15.671  -0.021   1.111
  738    HG   LEU 117           HG       LEU 117  13.123   1.361   2.018
  739   1HD1  LEU 117          1HD1      LEU 117  12.214  -0.138   0.120
  740   2HD1  LEU 117          2HD1      LEU 117  13.896  -0.307  -0.381
  741   3HD1  LEU 117          3HD1      LEU 117  13.143   1.285  -0.357
  742   1HD2  LEU 117          1HD2      LEU 117  14.068  -1.496   2.232
  743   2HD2  LEU 117          2HD2      LEU 117  12.349  -1.136   2.075
  744   3HD2  LEU 117          3HD2      LEU 117  13.255  -0.506   3.446
  745    H    VAL 118           H        VAL 118  17.676  -0.644   3.404
  746    HA   VAL 118           HA       VAL 118  19.693   1.500   2.872
  747    HB   VAL 118           HB       VAL 118  19.583  -0.421   5.217
  748   1HG1  VAL 118          1HG1      VAL 118  21.763   0.709   5.854
  749   2HG1  VAL 118          2HG1      VAL 118  21.830   1.333   4.206
  750   3HG1  VAL 118          3HG1      VAL 118  21.866  -0.407   4.494
  751   1HG2  VAL 118          1HG2      VAL 118  19.812   2.600   5.137
  752   2HG2  VAL 118          2HG2      VAL 118  19.562   1.591   6.561
  753   3HG2  VAL 118          3HG2      VAL 118  18.290   1.735   5.349
  754    H    GLN 119           H        GLN 119  20.517   0.684   0.959
  755    HA   GLN 119           HA       GLN 119  20.667  -1.946   0.078
  756   1HB   GLN 119          1HB       GLN 119  22.713   0.266  -0.294
  757   2HB   GLN 119          2HB       GLN 119  22.725  -1.246  -1.201
  758   1HG   GLN 119          1HG       GLN 119  21.567   0.336  -2.576
  759   2HG   GLN 119          2HG       GLN 119  20.331  -0.704  -1.880
  760   1HE2  GLN 119          1HE2      GLN 119  18.600   0.835  -1.712
  761   2HE2  GLN 119          2HE2      GLN 119  18.701   2.251  -0.786
  762    H    SER 120           H        SER 120  21.834  -3.735   0.653
  763    HA   SER 120           HA       SER 120  24.232  -3.407   2.407
  764   1HB   SER 120          1HB       SER 120  21.769  -5.058   2.955
  765   2HB   SER 120          2HB       SER 120  23.316  -5.472   3.675
  766    HG   SER 120           HG       SER 120  21.913  -3.020   3.907
  767    H    THR 121           H        THR 121  25.203  -5.763   2.678
  768    HA   THR 121           HA       THR 121  25.092  -7.170   0.026
  769    HB   THR 121           HB       THR 121  27.587  -7.623   0.499
  770    HG1  THR 121           HG1      THR 121  27.265  -5.308   2.087
  771   1HG2  THR 121          1HG2      THR 121  28.222  -5.328  -0.373
  772   2HG2  THR 121          2HG2      THR 121  26.529  -4.872  -0.176
  773   3HG2  THR 121          3HG2      THR 121  26.971  -6.159  -1.298
  774    H    LEU 122           H        LEU 122  25.760  -9.465   0.180
  775    HA   LEU 122           HA       LEU 122  24.437 -10.843   2.241
  776   1HB   LEU 122          1HB       LEU 122  25.203 -11.866   0.062
  777   2HB   LEU 122          2HB       LEU 122  26.835 -11.909   0.722
  778    HG   LEU 122           HG       LEU 122  25.935 -13.274   2.651
  779   1HD1  LEU 122          1HD1      LEU 122  23.626 -12.953   2.767
  780   2HD1  LEU 122          2HD1      LEU 122  23.690 -14.484   1.906
  781   3HD1  LEU 122          3HD1      LEU 122  23.423 -12.988   1.018
  782   1HD2  LEU 122          1HD2      LEU 122  27.035 -14.242   0.593
  783   2HD2  LEU 122          2HD2      LEU 122  25.419 -14.515  -0.063
  784   3HD2  LEU 122          3HD2      LEU 122  25.923 -15.342   1.412
  785    H    SER 123           H        SER 123  27.867  -9.874   2.063
  786    HA   SER 123           HA       SER 123  28.817 -11.199   4.364
  787   1HB   SER 123          1HB       SER 123  30.404 -10.000   3.037
  788   2HB   SER 123          2HB       SER 123  29.500  -8.494   3.188
  789    HG   SER 123           HG       SER 123  30.049  -8.391   5.335
  790    H    ASP 124           H        ASP 124  27.012  -8.141   4.083
  791    HA   ASP 124           HA       ASP 124  27.102  -7.326   6.768
  792   1HB   ASP 124          1HB       ASP 124  24.695  -7.095   4.940
  793   2HB   ASP 124          2HB       ASP 124  25.201  -6.005   6.194
  794    H    LEU 125           H        LEU 125  25.013  -9.659   5.110
  795    HA   LEU 125           HA       LEU 125  23.341 -10.159   7.394
  796   1HB   LEU 125          1HB       LEU 125  23.099 -10.738   4.774
  797   2HB   LEU 125          2HB       LEU 125  23.737 -12.283   5.316
  798    HG   LEU 125           HG       LEU 125  21.924 -12.349   7.056
  799   1HD1  LEU 125          1HD1      LEU 125  21.289  -9.707   5.802
  800   2HD1  LEU 125          2HD1      LEU 125  21.052 -10.253   7.459
  801   3HD1  LEU 125          3HD1      LEU 125  19.918 -10.737   6.208
  802   1HD2  LEU 125          1HD2      LEU 125  20.185 -13.010   5.476
  803   2HD2  LEU 125          2HD2      LEU 125  21.762 -13.494   4.851
  804   3HD2  LEU 125          3HD2      LEU 125  20.955 -12.070   4.197
  805    H    ARG 126           H        ARG 126  26.358 -11.576   6.206
  806    HA   ARG 126           HA       ARG 126  26.414 -13.856   7.932
  807   1HB   ARG 126          1HB       ARG 126  28.098 -13.882   6.299
  808   2HB   ARG 126          2HB       ARG 126  28.511 -12.191   6.549
  809   1HG   ARG 126          1HG       ARG 126  29.724 -12.658   8.533
  810   2HG   ARG 126          2HG       ARG 126  29.010 -14.258   8.693
  811   1HD   ARG 126          1HD       ARG 126  31.283 -14.498   7.871
  812   2HD   ARG 126          2HD       ARG 126  30.167 -14.934   6.577
  813    HE   ARG 126           HE       ARG 126  30.962 -12.126   6.510
  814   1HH1  ARG 126          1HH1      ARG 126  31.701 -15.378   5.638
  815   2HH1  ARG 126          2HH1      ARG 126  32.676 -14.933   4.277
  816   1HH2  ARG 126          1HH2      ARG 126  32.231 -11.525   4.738
  817   2HH2  ARG 126          2HH2      ARG 126  32.976 -12.751   3.768
  818    H    VAL 127           H        VAL 127  27.327 -10.467   8.471
  819    HA   VAL 127           HA       VAL 127  28.543 -10.743  11.005
  820    HB   VAL 127           HB       VAL 127  26.724  -8.498  10.074
  821   1HG1  VAL 127          1HG1      VAL 127  27.140  -8.424  12.481
  822   2HG1  VAL 127          2HG1      VAL 127  28.090  -7.166  11.691
  823   3HG1  VAL 127          3HG1      VAL 127  28.867  -8.659  12.215
  824   1HG2  VAL 127          1HG2      VAL 127  29.672  -9.064   9.700
  825   2HG2  VAL 127          2HG2      VAL 127  29.005  -7.438   9.555
  826   3HG2  VAL 127          3HG2      VAL 127  28.470  -8.711   8.461
  827    H    TYR 128           H        TYR 128  25.110 -10.644  10.066
  828    HA   TYR 128           HA       TYR 128  24.271 -10.833  12.911
  829   1HB   TYR 128          1HB       TYR 128  22.662 -10.859  10.344
  830   2HB   TYR 128          2HB       TYR 128  21.972 -10.882  11.965
  831    HD1  TYR 128           HD1      TYR 128  23.464  -8.845   9.372
  832    HD2  TYR 128           HD2      TYR 128  22.367  -8.944  13.519
  833    HE1  TYR 128           HE1      TYR 128  23.613  -6.373   9.468
  834    HE2  TYR 128           HE2      TYR 128  22.515  -6.471  13.619
  835    HH   TYR 128           HH       TYR 128  22.911  -4.607  12.490
  836    H    LEU 129           H        LEU 129  24.007 -12.853   9.978
  837    HA   LEU 129           HA       LEU 129  23.401 -15.220  11.708
  838   1HB   LEU 129          1HB       LEU 129  22.746 -14.686   8.804
  839   2HB   LEU 129          2HB       LEU 129  22.311 -16.132   9.705
  840    HG   LEU 129           HG       LEU 129  21.347 -13.309  10.233
  841   1HD1  LEU 129          1HD1      LEU 129  20.154 -14.193   8.387
  842   2HD1  LEU 129          2HD1      LEU 129  19.108 -14.521   9.768
  843   3HD1  LEU 129          3HD1      LEU 129  20.095 -15.813   9.083
  844   1HD2  LEU 129          1HD2      LEU 129  21.091 -15.856  11.824
  845   2HD2  LEU 129          2HD2      LEU 129  19.795 -14.658  11.872
  846   3HD2  LEU 129          3HD2      LEU 129  21.419 -14.218  12.393
  847    H    GLY 130           H        GLY 130  26.108 -14.513  11.312
  848   1HA   GLY 130          1HA       GLY 130  27.279 -15.749   9.019
  849   2HA   GLY 130          2HA       GLY 130  28.126 -15.413  10.528
  850    H    ALA 131           H        ALA 131  25.279 -17.546  10.095
  851    HA   ALA 131           HA       ALA 131  26.961 -19.943  10.359
  852   1HB   ALA 131          1HB       ALA 131  25.180 -18.931  12.574
  853   2HB   ALA 131          2HB       ALA 131  26.831 -19.538  12.677
  854   3HB   ALA 131          3HB       ALA 131  25.498 -20.657  12.393
  855    H    SER 132           H        SER 132  23.546 -18.883  10.761
  856    HA   SER 132           HA       SER 132  22.703 -21.225   9.113
  857   1HB   SER 132          1HB       SER 132  21.019 -19.249  10.683
  858   2HB   SER 132          2HB       SER 132  20.455 -20.742   9.932
  859    HG   SER 132           HG       SER 132  21.713 -21.911  11.344
  860    H    THR 133           H        THR 133  24.032 -18.996   7.835
  861    HA   THR 133           HA       THR 133  22.021 -17.287   6.638
  862    HB   THR 133           HB       THR 133  24.591 -17.570   5.179
  863    HG1  THR 133           HG1      THR 133  24.707 -16.558   7.794
  864   1HG2  THR 133          1HG2      THR 133  22.835 -15.635   5.189
  865   2HG2  THR 133          2HG2      THR 133  24.552 -15.230   5.181
  866   3HG2  THR 133          3HG2      THR 133  23.633 -15.148   6.685
  867    HA   PRO 134           HA       PRO 134  21.142 -20.529   3.523
  868   1HB   PRO 134          1HB       PRO 134  18.895 -19.461   2.455
  869   2HB   PRO 134          2HB       PRO 134  18.896 -20.215   4.059
  870   1HG   PRO 134          1HG       PRO 134  18.989 -17.318   3.321
  871   2HG   PRO 134          2HG       PRO 134  18.066 -18.120   4.604
  872   1HD   PRO 134          1HD       PRO 134  20.471 -16.791   5.011
  873   2HD   PRO 134          2HD       PRO 134  19.859 -18.067   6.078
  874    H    ASP 135           H        ASP 135  20.390 -20.180   1.013
  875    HA   ASP 135           HA       ASP 135  22.370 -18.266  -0.143
  876   1HB   ASP 135          1HB       ASP 135  22.490 -20.767  -0.634
  877   2HB   ASP 135          2HB       ASP 135  21.008 -20.564  -1.563
  878    H    LEU 136           H        LEU 136  21.616 -16.574  -1.202
  879    HA   LEU 136           HA       LEU 136  18.705 -16.278  -1.654
  880   1HB   LEU 136          1HB       LEU 136  20.984 -14.314  -2.018
  881   2HB   LEU 136          2HB       LEU 136  19.272 -13.927  -2.180
  882    HG   LEU 136           HG       LEU 136  20.589 -14.988   0.340
  883   1HD1  LEU 136          1HD1      LEU 136  21.172 -12.613  -0.410
  884   2HD1  LEU 136          2HD1      LEU 136  20.448 -12.757   1.193
  885   3HD1  LEU 136          3HD1      LEU 136  19.468 -12.224  -0.173
  886   1HD2  LEU 136          1HD2      LEU 136  17.757 -14.296  -0.423
  887   2HD2  LEU 136          2HD2      LEU 136  18.288 -14.055   1.239
  888   3HD2  LEU 136          3HD2      LEU 136  18.355 -15.662   0.525
  889    H    GLN 137           H        GLN 137  17.756 -16.181  -3.626
  890    HA   GLN 137           HA       GLN 137  19.482 -16.304  -6.068
  891   1HB   GLN 137          1HB       GLN 137  16.872 -17.812  -5.826
  892   2HB   GLN 137          2HB       GLN 137  18.178 -18.051  -6.982
  893   1HG   GLN 137          1HG       GLN 137  18.278 -18.641  -4.012
  894   2HG   GLN 137          2HG       GLN 137  18.222 -19.832  -5.310
  895   1HE2  GLN 137          1HE2      GLN 137  20.411 -18.662  -3.197
  896   2HE2  GLN 137          2HE2      GLN 137  21.804 -18.668  -4.155
  897   1H5*  ATP   1          1H5*      ATP   1  12.361   3.366  19.088
  898   2H5*  ATP   1          2H5*      ATP   1  10.724   3.075  18.587
  899    H4*  ATP   1           H4*      ATP   1  11.450   5.488  19.204
  900    H3*  ATP   1           H3*      ATP   1  10.920   4.412  22.026
  901   *HO3  ATP   1          *HO3      ATP   1  13.038   4.578  21.656
  902    H2*  ATP   1           H2*      ATP   1   9.966   6.440  22.567
  903   *HO2  ATP   1          *HO2      ATP   1  12.112   7.124  21.466
  904    H1*  ATP   1           H1*      ATP   1   9.529   7.078  19.675
  905    H8   ATP   1           H8       ATP   1   7.299   8.208  19.815
  906    H2   ATP   1           H2       ATP   1   7.207   3.510  24.206
  907   1HN6  ATP   1          1HN6      ATP   1   3.346   5.757  23.938
  908   2HN6  ATP   1          2HN6      ATP   1   3.379   6.599  22.408
  Start of MODEL   17
    1   1H    GLY  17          1H        GLY  17   6.416  -5.037 -27.082
    2   2H    GLY  17          2H        GLY  17   7.326  -3.723 -27.659
    3   3H    GLY  17          3H        GLY  17   7.597  -5.283 -28.275
    4   1HA   GLY  17          1HA       GLY  17   5.399  -5.320 -29.259
    5   2HA   GLY  17          2HA       GLY  17   5.099  -3.711 -28.603
    6    H    ALA  18           H        ALA  18   8.318  -3.811 -29.338
    7    HA   ALA  18           HA       ALA  18   8.150  -3.377 -32.222
    8   1HB   ALA  18          1HB       ALA  18   8.640  -1.032 -30.361
    9   2HB   ALA  18          2HB       ALA  18   7.266  -1.231 -31.448
   10   3HB   ALA  18          3HB       ALA  18   8.885  -0.998 -32.107
   11    HA   PRO  19           HA       PRO  19  12.145  -4.972 -30.222
   12   1HB   PRO  19          1HB       PRO  19  11.959  -6.335 -32.898
   13   2HB   PRO  19          2HB       PRO  19  12.544  -6.975 -31.349
   14   1HG   PRO  19          1HG       PRO  19  10.122  -7.600 -32.252
   15   2HG   PRO  19          2HG       PRO  19  10.397  -7.292 -30.529
   16   1HD   PRO  19          1HD       PRO  19   9.051  -5.554 -32.570
   17   2HD   PRO  19          2HD       PRO  19   8.733  -5.695 -30.827
   18    H    GLU  20           H        GLU  20  13.703  -3.409 -30.434
   19    HA   GLU  20           HA       GLU  20  14.041  -1.907 -32.912
   20   1HB   GLU  20          1HB       GLU  20  16.045  -0.952 -31.639
   21   2HB   GLU  20          2HB       GLU  20  14.467  -0.702 -30.892
   22   1HG   GLU  20          1HG       GLU  20  14.825  -2.490 -29.335
   23   2HG   GLU  20          2HG       GLU  20  16.254  -3.047 -30.206
   24    H    GLY  21           H        GLY  21  14.376  -4.410 -33.756
   25   1HA   GLY  21          1HA       GLY  21  15.922  -5.597 -35.097
   26   2HA   GLY  21          2HA       GLY  21  17.177  -4.470 -34.584
   27    HA   PRO  22           HA       PRO  22  17.755  -8.832 -32.723
   28   1HB   PRO  22          1HB       PRO  22  20.529  -7.802 -33.272
   29   2HB   PRO  22          2HB       PRO  22  19.895  -9.454 -33.415
   30   1HG   PRO  22          1HG       PRO  22  20.247  -7.939 -35.573
   31   2HG   PRO  22          2HG       PRO  22  18.838  -9.005 -35.431
   32   1HD   PRO  22          1HD       PRO  22  18.985  -6.021 -35.175
   33   2HD   PRO  22          2HD       PRO  22  17.653  -7.034 -35.771
   34    H    GLY  23           H        GLY  23  19.497  -5.765 -32.148
   35   1HA   GLY  23          1HA       GLY  23  19.816  -4.646 -30.087
   36   2HA   GLY  23          2HA       GLY  23  18.923  -5.939 -29.288
   37    HA   PRO  24           HA       PRO  24  23.336  -7.740 -29.672
   38   1HB   PRO  24          1HB       PRO  24  25.241  -6.402 -31.079
   39   2HB   PRO  24          2HB       PRO  24  24.057  -7.464 -31.866
   40   1HG   PRO  24          1HG       PRO  24  24.050  -4.480 -31.612
   41   2HG   PRO  24          2HG       PRO  24  23.678  -5.486 -33.022
   42   1HD   PRO  24          1HD       PRO  24  21.738  -4.386 -31.400
   43   2HD   PRO  24          2HD       PRO  24  21.500  -5.895 -32.305
   44    H    SER  25           H        SER  25  25.064  -4.758 -30.133
   45    HA   SER  25           HA       SER  25  25.927  -4.778 -27.341
   46   1HB   SER  25          1HB       SER  25  27.172  -2.671 -28.091
   47   2HB   SER  25          2HB       SER  25  27.598  -4.161 -28.932
   48    HG   SER  25           HG       SER  25  26.748  -3.418 -30.706
   49    H    GLY  26           H        GLY  26  24.454  -2.207 -29.364
   50   1HA   GLY  26          1HA       GLY  26  22.713  -0.712 -28.789
   51   2HA   GLY  26          2HA       GLY  26  22.523  -1.576 -27.264
   52    H    GLY  27           H        GLY  27  22.376   1.027 -26.900
   53   1HA   GLY  27          1HA       GLY  27  23.342   2.656 -25.483
   54   2HA   GLY  27          2HA       GLY  27  24.802   1.669 -25.404
   55    H    ALA  28           H        ALA  28  25.244   1.466 -28.234
   56    HA   ALA  28           HA       ALA  28  26.790   3.790 -28.716
   57   1HB   ALA  28          1HB       ALA  28  26.900   2.999 -31.064
   58   2HB   ALA  28          2HB       ALA  28  25.600   1.856 -30.729
   59   3HB   ALA  28          3HB       ALA  28  27.159   1.679 -29.923
   60    H    GLN  29           H        GLN  29  23.633   2.903 -30.166
   61    HA   GLN  29           HA       GLN  29  23.294   5.484 -31.420
   62   1HB   GLN  29          1HB       GLN  29  22.140   3.412 -32.191
   63   2HB   GLN  29          2HB       GLN  29  21.183   3.425 -30.710
   64   1HG   GLN  29          1HG       GLN  29  20.160   5.523 -31.297
   65   2HG   GLN  29          2HG       GLN  29  21.272   5.752 -32.647
   66   1HE2  GLN  29          1HE2      GLN  29  19.411   5.826 -34.153
   67   2HE2  GLN  29          2HE2      GLN  29  18.598   4.400 -34.586
   68    H    GLY  30           H        GLY  30  22.530   7.348 -30.522
   69   1HA   GLY  30          1HA       GLY  30  21.718   8.821 -28.885
   70   2HA   GLY  30          2HA       GLY  30  20.555   7.550 -28.507
   71    H    GLY  31           H        GLY  31  20.645   7.067 -26.368
   72   1HA   GLY  31          1HA       GLY  31  22.723   5.873 -25.009
   73   2HA   GLY  31          2HA       GLY  31  23.044   7.593 -24.791
   74    H    SER  32           H        SER  32  20.115   5.521 -24.730
   75    HA   SER  32           HA       SER  32  18.626   7.066 -22.920
   76   1HB   SER  32          1HB       SER  32  17.480   4.912 -22.320
   77   2HB   SER  32          2HB       SER  32  17.620   5.172 -24.059
   78    HG   SER  32           HG       SER  32  19.317   3.583 -22.436
   79    H    ILE  33           H        ILE  33  18.230   6.675 -20.583
   80    HA   ILE  33           HA       ILE  33  20.147   5.159 -19.022
   81    HB   ILE  33           HB       ILE  33  21.572   7.077 -19.671
   82   1HG1  ILE  33          1HG1      ILE  33  20.748   7.378 -16.775
   83   2HG1  ILE  33          2HG1      ILE  33  21.643   5.974 -17.357
   84   1HG2  ILE  33          1HG2      ILE  33  19.557   8.641 -19.888
   85   2HG2  ILE  33          2HG2      ILE  33  20.990   9.326 -19.121
   86   3HG2  ILE  33          3HG2      ILE  33  19.625   8.806 -18.133
   87   1HD1  ILE  33          1HD1      ILE  33  22.531   8.863 -17.621
   88   2HD1  ILE  33          2HD1      ILE  33  23.426   7.458 -18.200
   89   3HD1  ILE  33          3HD1      ILE  33  23.177   7.694 -16.470
   90    H    HIS  34           H        HIS  34  19.713   5.430 -16.669
   91    HA   HIS  34           HA       HIS  34  17.370   6.997 -15.875
   92   1HB   HIS  34          1HB       HIS  34  17.259   3.977 -16.070
   93   2HB   HIS  34          2HB       HIS  34  16.155   4.911 -15.061
   94    HD1  HIS  34           HD1      HIS  34  15.050   7.065 -16.556
   95    HD2  HIS  34           HD2      HIS  34  16.195   3.605 -18.580
   96    HE1  HIS  34           HE1      HIS  34  13.820   7.090 -18.770
   97    H    SER  35           H        SER  35  17.051   6.909 -13.531
   98    HA   SER  35           HA       SER  35  19.577   6.483 -12.115
   99   1HB   SER  35          1HB       SER  35  18.029   8.406 -11.639
  100   2HB   SER  35          2HB       SER  35  16.872   7.249 -10.980
  101    HG   SER  35           HG       SER  35  18.429   8.310  -9.485
  102    H    GLY  36           H        GLY  36  18.253   5.707  -9.589
  103   1HA   GLY  36          1HA       GLY  36  16.764   3.395  -9.548
  104   2HA   GLY  36          2HA       GLY  36  18.372   2.814  -9.981
  105    H    ARG  37           H        ARG  37  20.021   4.410  -8.473
  106    HA   ARG  37           HA       ARG  37  19.770   3.249  -5.850
  107   1HB   ARG  37          1HB       ARG  37  21.478   5.644  -6.552
  108   2HB   ARG  37          2HB       ARG  37  21.782   4.419  -5.321
  109   1HG   ARG  37          1HG       ARG  37  21.773   3.973  -8.324
  110   2HG   ARG  37          2HG       ARG  37  23.197   4.008  -7.285
  111   1HD   ARG  37          1HD       ARG  37  20.988   1.951  -7.371
  112   2HD   ARG  37          2HD       ARG  37  22.726   1.702  -7.538
  113    HE   ARG  37           HE       ARG  37  21.277   1.800  -5.041
  114   1HH1  ARG  37          1HH1      ARG  37  24.210   2.646  -6.644
  115   2HH1  ARG  37          2HH1      ARG  37  25.169   2.595  -5.202
  116   1HH2  ARG  37          1HH2      ARG  37  22.512   1.730  -3.149
  117   2HH2  ARG  37          2HH2      ARG  37  24.208   2.076  -3.223
  118    H    ILE  38           H        ILE  38  18.103   3.893  -4.535
  119    HA   ILE  38           HA       ILE  38  17.877   6.801  -3.923
  120    HB   ILE  38           HB       ILE  38  15.497   5.037  -4.614
  121   1HG1  ILE  38          1HG1      ILE  38  16.904   7.265  -6.105
  122   2HG1  ILE  38          2HG1      ILE  38  16.709   5.593  -6.627
  123   1HG2  ILE  38          1HG2      ILE  38  15.166   6.874  -2.856
  124   2HG2  ILE  38          2HG2      ILE  38  14.142   6.991  -4.282
  125   3HG2  ILE  38          3HG2      ILE  38  15.556   8.032  -4.129
  126   1HD1  ILE  38          1HD1      ILE  38  14.170   6.032  -6.488
  127   2HD1  ILE  38          2HD1      ILE  38  15.042   6.778  -7.827
  128   3HD1  ILE  38          3HD1      ILE  38  14.597   7.742  -6.419
  129    H    ALA  39           H        ALA  39  18.667   6.489  -1.861
  130    HA   ALA  39           HA       ALA  39  17.424   4.414  -0.126
  131   1HB   ALA  39          1HB       ALA  39  19.174   5.307   1.526
  132   2HB   ALA  39          2HB       ALA  39  19.813   6.244   0.175
  133   3HB   ALA  39          3HB       ALA  39  19.793   4.482   0.096
  134    H    ALA  40           H        ALA  40  15.434   5.176   0.540
  135    HA   ALA  40           HA       ALA  40  15.425   7.562   2.276
  136   1HB   ALA  40          1HB       ALA  40  13.323   7.442   0.121
  137   2HB   ALA  40          2HB       ALA  40  14.892   8.163  -0.226
  138   3HB   ALA  40          3HB       ALA  40  13.883   8.831   1.054
  139    H    VAL  41           H        VAL  41  12.857   7.828   2.888
  140    HA   VAL  41           HA       VAL  41  12.224   5.365   4.301
  141    HB   VAL  41           HB       VAL  41  10.672   7.951   4.000
  142   1HG1  VAL  41          1HG1      VAL  41   9.474   7.150   6.050
  143   2HG1  VAL  41          2HG1      VAL  41  10.263   5.588   5.849
  144   3HG1  VAL  41          3HG1      VAL  41   9.141   6.176   4.620
  145   1HG2  VAL  41          1HG2      VAL  41  12.780   8.318   5.144
  146   2HG2  VAL  41          2HG2      VAL  41  12.528   6.892   6.149
  147   3HG2  VAL  41          3HG2      VAL  41  11.499   8.310   6.354
  148    H    HIS  42           H        HIS  42  10.523   3.949   3.866
  149    HA   HIS  42           HA       HIS  42   8.744   4.448   1.550
  150   1HB   HIS  42          1HB       HIS  42  10.903   2.354   1.679
  151   2HB   HIS  42          2HB       HIS  42   9.424   2.007   0.788
  152    HD1  HIS  42           HD1      HIS  42   9.319   2.843  -1.552
  153    HD2  HIS  42           HD2      HIS  42  12.230   4.839   0.660
  154    HE1  HIS  42           HE1      HIS  42  10.560   4.331  -3.177
  155    H    ASN  43           H        ASN  43   7.055   2.750   1.411
  156    HA   ASN  43           HA       ASN  43   6.406   1.629   4.104
  157   1HB   ASN  43          1HB       ASN  43   4.109   1.333   3.003
  158   2HB   ASN  43          2HB       ASN  43   4.620   2.990   3.317
  159   1HD2  ASN  43          1HD2      ASN  43   2.918   3.260   1.430
  160   2HD2  ASN  43          2HD2      ASN  43   3.560   3.223  -0.136
  161    H    VAL  44           H        VAL  44   7.625  -0.295   4.007
  162    HA   VAL  44           HA       VAL  44   7.411  -2.025   1.645
  163    HB   VAL  44           HB       VAL  44   9.521  -1.677   3.059
  164   1HG1  VAL  44          1HG1      VAL  44   8.260  -2.120   5.240
  165   2HG1  VAL  44          2HG1      VAL  44   9.802  -2.953   5.042
  166   3HG1  VAL  44          3HG1      VAL  44   8.290  -3.825   4.789
  167   1HG2  VAL  44          1HG2      VAL  44  10.252  -4.005   2.714
  168   2HG2  VAL  44          2HG2      VAL  44   9.326  -3.422   1.332
  169   3HG2  VAL  44          3HG2      VAL  44   8.574  -4.501   2.507
  170    HA   PRO  45           HA       PRO  45   3.641  -4.021   3.193
  171   1HB   PRO  45          1HB       PRO  45   4.782  -6.361   1.705
  172   2HB   PRO  45          2HB       PRO  45   3.131  -5.715   1.686
  173   1HG   PRO  45          1HG       PRO  45   4.816  -5.239  -0.316
  174   2HG   PRO  45          2HG       PRO  45   3.695  -3.992   0.250
  175   1HD   PRO  45          1HD       PRO  45   6.651  -4.207   0.671
  176   2HD   PRO  45          2HD       PRO  45   5.634  -2.761   0.521
  177    H    LEU  46           H        LEU  46   3.171  -5.233   4.992
  178    HA   LEU  46           HA       LEU  46   5.291  -6.179   6.676
  179   1HB   LEU  46          1HB       LEU  46   2.334  -6.796   6.745
  180   2HB   LEU  46          2HB       LEU  46   3.461  -7.141   8.044
  181    HG   LEU  46           HG       LEU  46   3.374  -4.312   7.058
  182   1HD1  LEU  46          1HD1      LEU  46   1.431  -3.847   8.558
  183   2HD1  LEU  46          2HD1      LEU  46   1.193  -5.587   8.715
  184   3HD1  LEU  46          3HD1      LEU  46   1.016  -4.813   7.141
  185   1HD2  LEU  46          1HD2      LEU  46   4.888  -4.844   8.882
  186   2HD2  LEU  46          2HD2      LEU  46   3.587  -5.619   9.786
  187   3HD2  LEU  46          3HD2      LEU  46   3.562  -3.880   9.525
  188    H    SER  47           H        SER  47   3.196  -7.676   4.338
  189    HA   SER  47           HA       SER  47   3.567 -10.399   5.051
  190   1HB   SER  47          1HB       SER  47   2.967 -10.804   2.608
  191   2HB   SER  47          2HB       SER  47   1.814  -9.855   3.543
  192    HG   SER  47           HG       SER  47   3.685  -9.003   1.621
  193    H    VAL  48           H        VAL  48   5.714  -8.256   3.232
  194    HA   VAL  48           HA       VAL  48   7.399 -10.606   2.482
  195    HB   VAL  48           HB       VAL  48   8.461  -9.204   0.877
  196   1HG1  VAL  48          1HG1      VAL  48   6.646  -8.711  -0.562
  197   2HG1  VAL  48          2HG1      VAL  48   5.571  -8.352   0.786
  198   3HG1  VAL  48          3HG1      VAL  48   6.064 -10.015   0.472
  199   1HG2  VAL  48          1HG2      VAL  48   7.026  -6.917   2.243
  200   2HG2  VAL  48          2HG2      VAL  48   7.809  -6.774   0.674
  201   3HG2  VAL  48          3HG2      VAL  48   8.766  -7.154   2.104
  202    H    LEU  49           H        LEU  49   7.290  -9.317   5.260
  203    HA   LEU  49           HA       LEU  49  10.034  -8.223   5.479
  204   1HB   LEU  49          1HB       LEU  49   7.811  -8.666   7.493
  205   2HB   LEU  49          2HB       LEU  49   9.423  -8.137   7.958
  206    HG   LEU  49           HG       LEU  49   7.596  -6.671   6.029
  207   1HD1  LEU  49          1HD1      LEU  49   8.437  -5.879   8.828
  208   2HD1  LEU  49          2HD1      LEU  49   6.934  -6.736   8.491
  209   3HD1  LEU  49          3HD1      LEU  49   7.202  -5.126   7.823
  210   1HD2  LEU  49          1HD2      LEU  49  10.427  -6.245   6.949
  211   2HD2  LEU  49          2HD2      LEU  49   9.413  -4.824   6.699
  212   3HD2  LEU  49          3HD2      LEU  49   9.704  -5.938   5.369
  213    H    ILE  50           H        ILE  50  11.729  -9.412   6.190
  214    HA   ILE  50           HA       ILE  50  11.245 -12.300   6.790
  215    HB   ILE  50           HB       ILE  50  13.816 -10.870   6.072
  216   1HG1  ILE  50          1HG1      ILE  50  12.042 -12.632   4.360
  217   2HG1  ILE  50          2HG1      ILE  50  12.047 -10.871   4.279
  218   1HG2  ILE  50          1HG2      ILE  50  14.193 -12.931   7.327
  219   2HG2  ILE  50          2HG2      ILE  50  14.601 -13.200   5.633
  220   3HG2  ILE  50          3HG2      ILE  50  13.075 -13.804   6.280
  221   1HD1  ILE  50          1HD1      ILE  50  14.298 -12.771   3.606
  222   2HD1  ILE  50          2HD1      ILE  50  14.574 -11.050   3.877
  223   3HD1  ILE  50          3HD1      ILE  50  13.529 -11.579   2.560
  224    H    ARG  51           H        ARG  51  11.182 -12.756   8.914
  225    HA   ARG  51           HA       ARG  51  13.163 -11.438  10.744
  226   1HB   ARG  51          1HB       ARG  51  10.229 -11.974  11.285
  227   2HB   ARG  51          2HB       ARG  51  11.393 -11.430  12.493
  228   1HG   ARG  51          1HG       ARG  51  11.818  -9.397  11.209
  229   2HG   ARG  51          2HG       ARG  51  10.738  -9.945   9.930
  230   1HD   ARG  51          1HD       ARG  51   8.820  -9.757  11.332
  231   2HD   ARG  51          2HD       ARG  51   9.805  -9.616  12.788
  232    HE   ARG  51           HE       ARG  51   9.146  -7.448  10.953
  233   1HH1  ARG  51          1HH1      ARG  51  11.387  -8.734  13.236
  234   2HH1  ARG  51          2HH1      ARG  51  12.034  -7.187  13.672
  235   1HH2  ARG  51          1HH2      ARG  51   9.979  -5.421  11.509
  236   2HH2  ARG  51          2HH2      ARG  51  11.237  -5.312  12.694
  237    HA   PRO  52           HA       PRO  52  13.291 -15.952  11.596
  238   1HB   PRO  52          1HB       PRO  52  15.850 -16.429  11.081
  239   2HB   PRO  52          2HB       PRO  52  14.747 -16.048   9.742
  240   1HG   PRO  52          1HG       PRO  52  16.770 -14.305  11.091
  241   2HG   PRO  52          2HG       PRO  52  16.331 -14.397   9.380
  242   1HD   PRO  52          1HD       PRO  52  15.319 -12.521  11.294
  243   2HD   PRO  52          2HD       PRO  52  14.710 -12.776   9.645
  244    H    LEU  53           H        LEU  53  13.636 -13.592  13.522
  245    HA   LEU  53           HA       LEU  53  15.303 -15.030  15.541
  246   1HB   LEU  53          1HB       LEU  53  16.457 -13.058  14.226
  247   2HB   LEU  53          2HB       LEU  53  15.495 -12.031  15.279
  248    HG   LEU  53           HG       LEU  53  17.342 -14.224  16.280
  249   1HD1  LEU  53          1HD1      LEU  53  18.729 -12.579  15.226
  250   2HD1  LEU  53          2HD1      LEU  53  18.774 -12.232  16.956
  251   3HD1  LEU  53          3HD1      LEU  53  17.767 -11.253  15.887
  252   1HD2  LEU  53          1HD2      LEU  53  15.697 -13.751  17.937
  253   2HD2  LEU  53          2HD2      LEU  53  15.739 -12.022  17.597
  254   3HD2  LEU  53          3HD2      LEU  53  17.102 -12.796  18.404
  255    HA   PRO  54           HA       PRO  54  11.085 -13.976  17.232
  256   1HB   PRO  54          1HB       PRO  54  12.217 -15.924  19.224
  257   2HB   PRO  54          2HB       PRO  54  10.573 -15.819  18.563
  258   1HG   PRO  54          1HG       PRO  54  12.269 -17.664  17.687
  259   2HG   PRO  54          2HG       PRO  54  11.183 -16.830  16.563
  260   1HD   PRO  54          1HD       PRO  54  14.131 -16.444  16.986
  261   2HD   PRO  54          2HD       PRO  54  13.185 -16.318  15.487
  262    H    SER  55           H        SER  55  10.542 -13.151  19.516
  263    HA   SER  55           HA       SER  55  12.805 -12.244  21.147
  264   1HB   SER  55          1HB       SER  55  11.253 -10.379  19.367
  265   2HB   SER  55          2HB       SER  55  11.931  -9.789  20.881
  266    HG   SER  55           HG       SER  55  13.839 -11.158  19.793
  267    H    VAL  56           H        VAL  56  12.007 -10.976  23.044
  268    HA   VAL  56           HA       VAL  56   9.353 -12.005  23.907
  269    HB   VAL  56           HB       VAL  56  11.553 -12.227  25.300
  270   1HG1  VAL  56          1HG1      VAL  56  10.765  -9.467  26.248
  271   2HG1  VAL  56          2HG1      VAL  56  12.040  -9.706  25.054
  272   3HG1  VAL  56          3HG1      VAL  56  12.201 -10.398  26.665
  273   1HG2  VAL  56          1HG2      VAL  56  10.239 -11.880  27.425
  274   2HG2  VAL  56          2HG2      VAL  56   9.413 -12.860  26.214
  275   3HG2  VAL  56          3HG2      VAL  56   8.955 -11.172  26.445
  276    H    LEU  57           H        LEU  57   7.667 -10.659  23.598
  277    HA   LEU  57           HA       LEU  57   8.152  -7.735  23.375
  278   1HB   LEU  57          1HB       LEU  57   5.667  -9.331  22.767
  279   2HB   LEU  57          2HB       LEU  57   5.924  -7.633  22.399
  280    HG   LEU  57           HG       LEU  57   7.630  -9.900  21.313
  281   1HD1  LEU  57          1HD1      LEU  57   6.457  -9.214  19.138
  282   2HD1  LEU  57          2HD1      LEU  57   5.295  -8.360  20.154
  283   3HD1  LEU  57          3HD1      LEU  57   5.476 -10.109  20.299
  284   1HD2  LEU  57          1HD2      LEU  57   7.653  -6.903  21.028
  285   2HD2  LEU  57          2HD2      LEU  57   8.174  -7.899  19.670
  286   3HD2  LEU  57          3HD2      LEU  57   9.003  -8.020  21.218
  287    H    ASP  58           H        ASP  58   7.097  -6.262  24.596
  288    HA   ASP  58           HA       ASP  58   5.939  -7.212  27.158
  289   1HB   ASP  58          1HB       ASP  58   7.728  -5.708  27.511
  290   2HB   ASP  58          2HB       ASP  58   7.234  -4.664  26.205
  291    HA   PRO  59           HA       PRO  59   2.002  -5.906  25.373
  292   1HB   PRO  59          1HB       PRO  59   0.387  -6.178  27.543
  293   2HB   PRO  59          2HB       PRO  59   1.065  -7.576  26.685
  294   1HG   PRO  59          1HG       PRO  59   2.003  -6.271  29.213
  295   2HG   PRO  59          2HG       PRO  59   1.824  -7.987  28.840
  296   1HD   PRO  59          1HD       PRO  59   4.242  -6.684  28.719
  297   2HD   PRO  59          2HD       PRO  59   3.851  -8.091  27.708
  298    H    ALA  60           H        ALA  60   3.423  -4.260  28.120
  299    HA   ALA  60           HA       ALA  60   1.433  -2.101  28.103
  300   1HB   ALA  60          1HB       ALA  60   4.083  -2.460  29.524
  301   2HB   ALA  60          2HB       ALA  60   2.467  -2.583  30.219
  302   3HB   ALA  60          3HB       ALA  60   3.085  -1.016  29.695
  303    H    LYS  61           H        LYS  61   4.762  -2.568  26.958
  304    HA   LYS  61           HA       LYS  61   5.016   0.149  26.022
  305   1HB   LYS  61          1HB       LYS  61   6.771  -1.957  26.480
  306   2HB   LYS  61          2HB       LYS  61   6.757  -1.863  24.727
  307   1HG   LYS  61          1HG       LYS  61   7.204   0.612  24.937
  308   2HG   LYS  61          2HG       LYS  61   7.396   0.359  26.672
  309   1HD   LYS  61          1HD       LYS  61   9.012  -1.064  24.532
  310   2HD   LYS  61          2HD       LYS  61   9.576   0.336  25.441
  311   1HE   LYS  61          1HE       LYS  61   8.996  -1.108  27.548
  312   2HE   LYS  61          2HE       LYS  61   9.050  -2.463  26.420
  313   1HZ   LYS  61          1HZ       LYS  61  11.237  -2.434  26.635
  314   2HZ   LYS  61          2HZ       LYS  61  11.191  -1.015  27.569
  315   3HZ   LYS  61          3HZ       LYS  61  11.270  -0.918  25.875
  316    H    VAL  62           H        VAL  62   3.840  -2.859  24.581
  317    HA   VAL  62           HA       VAL  62   3.880  -1.856  21.853
  318    HB   VAL  62           HB       VAL  62   2.302  -4.101  23.156
  319   1HG1  VAL  62          1HG1      VAL  62   2.000  -4.814  20.713
  320   2HG1  VAL  62          2HG1      VAL  62   2.488  -3.175  20.281
  321   3HG1  VAL  62          3HG1      VAL  62   1.034  -3.436  21.243
  322   1HG2  VAL  62          1HG2      VAL  62   3.935  -5.557  22.202
  323   2HG2  VAL  62          2HG2      VAL  62   4.851  -4.244  22.938
  324   3HG2  VAL  62          3HG2      VAL  62   4.599  -4.271  21.194
  325    H    GLN  63           H        GLN  63   1.292  -2.294  24.265
  326    HA   GLN  63           HA       GLN  63  -0.850  -1.148  22.865
  327   1HB   GLN  63          1HB       GLN  63  -0.077  -1.196  25.779
  328   2HB   GLN  63          2HB       GLN  63  -1.530  -0.346  25.262
  329   1HG   GLN  63          1HG       GLN  63  -1.781  -2.805  25.991
  330   2HG   GLN  63          2HG       GLN  63  -2.560  -2.327  24.487
  331   1HE2  GLN  63          1HE2      GLN  63  -0.872  -4.832  25.765
  332   2HE2  GLN  63          2HE2      GLN  63  -0.059  -5.394  24.385
  333    H    SER  64           H        SER  64   1.755   0.473  24.662
  334    HA   SER  64           HA       SER  64   0.731   3.131  24.422
  335   1HB   SER  64          1HB       SER  64   3.565   2.084  24.658
  336   2HB   SER  64          2HB       SER  64   3.157   3.799  24.712
  337    HG   SER  64           HG       SER  64   1.850   3.380  26.504
  338    H    LEU  65           H        LEU  65   2.826   1.190  22.295
  339    HA   LEU  65           HA       LEU  65   3.232   3.311  20.375
  340   1HB   LEU  65          1HB       LEU  65   3.728   0.360  20.524
  341   2HB   LEU  65          2HB       LEU  65   3.723   1.089  18.927
  342    HG   LEU  65           HG       LEU  65   5.334   2.360  21.142
  343   1HD1  LEU  65          1HD1      LEU  65   6.078  -0.063  19.493
  344   2HD1  LEU  65          2HD1      LEU  65   6.145   0.121  21.245
  345   3HD1  LEU  65          3HD1      LEU  65   7.290   0.990  20.223
  346   1HD2  LEU  65          1HD2      LEU  65   5.121   3.619  19.067
  347   2HD2  LEU  65          2HD2      LEU  65   5.597   2.210  18.121
  348   3HD2  LEU  65          3HD2      LEU  65   6.765   2.994  19.182
  349    H    VAL  66           H        VAL  66   0.976   0.579  20.635
  350    HA   VAL  66           HA       VAL  66  -0.341   0.845  18.153
  351    HB   VAL  66           HB       VAL  66  -1.314  -0.008  20.892
  352   1HG1  VAL  66          1HG1      VAL  66  -3.304   0.685  19.768
  353   2HG1  VAL  66          2HG1      VAL  66  -3.222  -1.066  19.588
  354   3HG1  VAL  66          3HG1      VAL  66  -2.767  -0.021  18.245
  355   1HG2  VAL  66          1HG2      VAL  66  -1.000  -2.225  20.089
  356   2HG2  VAL  66          2HG2      VAL  66   0.433  -1.342  19.562
  357   3HG2  VAL  66          3HG2      VAL  66  -0.866  -1.681  18.417
  358    H    ASP  67           H        ASP  67  -0.727   2.621  21.187
  359    HA   ASP  67           HA       ASP  67  -3.031   4.144  20.274
  360   1HB   ASP  67          1HB       ASP  67  -1.164   4.251  22.638
  361   2HB   ASP  67          2HB       ASP  67  -2.265   5.588  22.334
  362    H    THR  68           H        THR  68   0.475   4.594  20.254
  363    HA   THR  68           HA       THR  68   0.438   7.396  19.629
  364    HB   THR  68           HB       THR  68   2.577   5.451  18.744
  365    HG1  THR  68           HG1      THR  68   1.673   6.008  21.242
  366   1HG2  THR  68          1HG2      THR  68   2.583   7.948  18.143
  367   2HG2  THR  68          2HG2      THR  68   4.030   7.318  18.930
  368   3HG2  THR  68          3HG2      THR  68   2.850   8.241  19.861
  369    H    ILE  69           H        ILE  69   0.844   4.522  17.543
  370    HA   ILE  69           HA       ILE  69   0.900   5.910  15.069
  371    HB   ILE  69           HB       ILE  69  -0.248   3.152  15.610
  372   1HG1  ILE  69          1HG1      ILE  69   2.586   4.137  15.177
  373   2HG1  ILE  69          2HG1      ILE  69   1.968   3.219  16.544
  374   1HG2  ILE  69          1HG2      ILE  69  -0.661   4.224  13.326
  375   2HG2  ILE  69          2HG2      ILE  69   0.219   2.701  13.288
  376   3HG2  ILE  69          3HG2      ILE  69   1.088   4.224  13.105
  377   1HD1  ILE  69          1HD1      ILE  69   2.398   2.248  13.714
  378   2HD1  ILE  69          2HD1      ILE  69   1.446   1.349  14.895
  379   3HD1  ILE  69          3HD1      ILE  69   3.156   1.654  15.191
  380    H    ARG  70           H        ARG  70  -1.837   4.669  16.967
  381    HA   ARG  70           HA       ARG  70  -3.808   5.516  14.996
  382   1HB   ARG  70          1HB       ARG  70  -3.831   4.224  17.682
  383   2HB   ARG  70          2HB       ARG  70  -5.272   5.146  17.284
  384   1HG   ARG  70          1HG       ARG  70  -5.470   3.866  15.158
  385   2HG   ARG  70          2HG       ARG  70  -4.066   2.909  15.628
  386   1HD   ARG  70          1HD       ARG  70  -5.273   2.187  17.678
  387   2HD   ARG  70          2HD       ARG  70  -6.684   3.104  17.151
  388    HE   ARG  70           HE       ARG  70  -6.109   1.416  15.012
  389   1HH1  ARG  70          1HH1      ARG  70  -6.729   1.120  18.391
  390   2HH1  ARG  70          2HH1      ARG  70  -7.462  -0.444  18.255
  391   1HH2  ARG  70          1HH2      ARG  70  -7.063  -0.624  14.815
  392   2HH2  ARG  70          2HH2      ARG  70  -7.651  -1.431  16.230
  393    H    GLU  71           H        GLU  71  -2.411   6.948  17.918
  394    HA   GLU  71           HA       GLU  71  -4.348   9.160  17.904
  395   1HB   GLU  71          1HB       GLU  71  -3.350   8.237  20.016
  396   2HB   GLU  71          2HB       GLU  71  -1.788   8.874  19.502
  397   1HG   GLU  71          1HG       GLU  71  -2.702  11.145  19.452
  398   2HG   GLU  71          2HG       GLU  71  -4.298  10.533  19.882
  399    H    ASP  72           H        ASP  72  -0.987   8.598  16.962
  400    HA   ASP  72           HA       ASP  72  -1.071  11.038  15.305
  401   1HB   ASP  72          1HB       ASP  72  -0.243  11.641  17.658
  402   2HB   ASP  72          2HB       ASP  72   1.188  10.690  17.274
  403    HA   PRO  73           HA       PRO  73   1.258   7.522  13.404
  404   1HB   PRO  73          1HB       PRO  73   0.703   8.145  10.780
  405   2HB   PRO  73          2HB       PRO  73  -0.376   7.192  11.815
  406   1HG   PRO  73          1HG       PRO  73  -0.512  10.086  11.089
  407   2HG   PRO  73          2HG       PRO  73  -1.818   8.899  11.229
  408   1HD   PRO  73          1HD       PRO  73  -1.282  10.735  13.168
  409   2HD   PRO  73          2HD       PRO  73  -1.964   9.138  13.538
  410    H    ASP  74           H        ASP  74   1.531  10.971  12.875
  411    HA   ASP  74           HA       ASP  74   4.027  10.737  11.343
  412   1HB   ASP  74          1HB       ASP  74   2.545  12.610  10.865
  413   2HB   ASP  74          2HB       ASP  74   2.611  13.133  12.547
  414    H    SER  75           H        SER  75   3.096  11.092  14.704
  415    HA   SER  75           HA       SER  75   5.723  12.049  15.570
  416   1HB   SER  75          1HB       SER  75   3.579  12.493  16.829
  417   2HB   SER  75          2HB       SER  75   3.544  10.782  17.259
  418    HG   SER  75           HG       SER  75   5.700  12.543  17.789
  419    H    VAL  76           H        VAL  76   5.235   9.357  14.066
  420    HA   VAL  76           HA       VAL  76   6.798   7.639  15.959
  421    HB   VAL  76           HB       VAL  76   5.022   6.529  13.785
  422   1HG1  VAL  76          1HG1      VAL  76   5.623   5.390  16.524
  423   2HG1  VAL  76          2HG1      VAL  76   6.721   5.148  15.162
  424   3HG1  VAL  76          3HG1      VAL  76   5.068   4.543  15.081
  425   1HG2  VAL  76          1HG2      VAL  76   3.493   7.921  14.963
  426   2HG2  VAL  76          2HG2      VAL  76   4.216   7.525  16.522
  427   3HG2  VAL  76          3HG2      VAL  76   3.281   6.312  15.651
  428    HA   PRO  77           HA       PRO  77   9.477   8.193  12.319
  429   1HB   PRO  77          1HB       PRO  77  11.832   7.333  13.434
  430   2HB   PRO  77          2HB       PRO  77  11.155   8.947  13.700
  431   1HG   PRO  77          1HG       PRO  77  11.127   6.545  15.467
  432   2HG   PRO  77          2HG       PRO  77  11.268   8.257  15.897
  433   1HD   PRO  77          1HD       PRO  77   8.919   6.745  16.080
  434   2HD   PRO  77          2HD       PRO  77   8.974   8.519  16.015
  435    HA   PRO  78           HA       PRO  78   9.703   4.077  10.642
  436   1HB   PRO  78          1HB       PRO  78  11.641   4.326   8.757
  437   2HB   PRO  78          2HB       PRO  78  10.079   5.149   8.618
  438   1HG   PRO  78          1HG       PRO  78  12.717   6.226   9.532
  439   2HG   PRO  78          2HG       PRO  78  11.519   6.963   8.459
  440   1HD   PRO  78          1HD       PRO  78  11.753   7.596  11.131
  441   2HD   PRO  78          2HD       PRO  78  10.238   7.746  10.226
  442    H    ILE  79           H        ILE  79  11.261   2.238  10.184
  443    HA   ILE  79           HA       ILE  79  13.433   2.175  12.261
  444    HB   ILE  79           HB       ILE  79  13.126  -0.361  11.963
  445   1HG1  ILE  79          1HG1      ILE  79  10.447   0.476  10.828
  446   2HG1  ILE  79          2HG1      ILE  79  11.800   0.041   9.783
  447   1HG2  ILE  79          1HG2      ILE  79  11.040   1.477  13.145
  448   2HG2  ILE  79          2HG2      ILE  79  12.315   0.585  13.975
  449   3HG2  ILE  79          3HG2      ILE  79  10.924  -0.274  13.317
  450   1HD1  ILE  79          1HD1      ILE  79  10.411  -1.927  10.171
  451   2HD1  ILE  79          2HD1      ILE  79  10.546  -1.708  11.916
  452   3HD1  ILE  79          3HD1      ILE  79  11.970  -2.141  10.969
  453    H    ASP  80           H        ASP  80  15.290   0.682  11.630
  454    HA   ASP  80           HA       ASP  80  16.107   1.325   8.849
  455   1HB   ASP  80          1HB       ASP  80  17.773   1.812  10.502
  456   2HB   ASP  80          2HB       ASP  80  17.602   0.225  11.247
  457    H    VAL  81           H        VAL  81  16.437  -0.236   7.305
  458    HA   VAL  81           HA       VAL  81  16.102  -3.107   8.058
  459    HB   VAL  81           HB       VAL  81  14.403  -1.505   6.138
  460   1HG1  VAL  81          1HG1      VAL  81  15.114  -3.330   4.749
  461   2HG1  VAL  81          2HG1      VAL  81  13.511  -3.747   5.352
  462   3HG1  VAL  81          3HG1      VAL  81  14.940  -4.483   6.072
  463   1HG2  VAL  81          1HG2      VAL  81  12.601  -2.800   7.290
  464   2HG2  VAL  81          2HG2      VAL  81  13.552  -1.816   8.402
  465   3HG2  VAL  81          3HG2      VAL  81  13.833  -3.555   8.304
  466    H    LEU  82           H        LEU  82  17.364  -4.473   6.849
  467    HA   LEU  82           HA       LEU  82  19.338  -3.218   5.054
  468   1HB   LEU  82          1HB       LEU  82  19.063  -6.119   5.888
  469   2HB   LEU  82          2HB       LEU  82  20.471  -5.376   5.134
  470    HG   LEU  82           HG       LEU  82  19.404  -4.286   7.745
  471   1HD1  LEU  82          1HD1      LEU  82  21.411  -6.538   7.471
  472   2HD1  LEU  82          2HD1      LEU  82  19.749  -6.738   8.025
  473   3HD1  LEU  82          3HD1      LEU  82  20.883  -5.776   8.971
  474   1HD2  LEU  82          1HD2      LEU  82  22.142  -4.385   6.446
  475   2HD2  LEU  82          2HD2      LEU  82  21.799  -3.671   8.021
  476   3HD2  LEU  82          3HD2      LEU  82  21.098  -2.969   6.565
  477    H    TRP  83           H        TRP  83  19.087  -3.180   2.895
  478    HA   TRP  83           HA       TRP  83  17.027  -4.929   1.627
  479   1HB   TRP  83          1HB       TRP  83  16.813  -2.510   1.281
  480   2HB   TRP  83          2HB       TRP  83  18.462  -2.427   0.705
  481    HD1  TRP  83           HD1      TRP  83  16.649  -5.441  -0.627
  482    HE1  TRP  83           HE1      TRP  83  16.027  -5.023  -3.095
  483    HE3  TRP  83           HE3      TRP  83  17.634  -0.453  -0.937
  484    HZ2  TRP  83           HZ2      TRP  83  15.966  -2.850  -4.961
  485    HZ3  TRP  83           HZ3      TRP  83  17.288   0.775  -3.070
  486    HH2  TRP  83           HH2      TRP  83  16.459  -0.418  -5.076
  487    H    ILE  84           H        ILE  84  17.956  -6.817   0.867
  488    HA   ILE  84           HA       ILE  84  20.584  -6.599  -0.581
  489    HB   ILE  84           HB       ILE  84  19.687  -8.987   1.053
  490   1HG1  ILE  84          1HG1      ILE  84  21.546  -6.701   1.775
  491   2HG1  ILE  84          2HG1      ILE  84  20.028  -7.103   2.575
  492   1HG2  ILE  84          1HG2      ILE  84  21.369  -9.225  -0.866
  493   2HG2  ILE  84          2HG2      ILE  84  21.927  -9.766   0.717
  494   3HG2  ILE  84          3HG2      ILE  84  22.447  -8.203   0.086
  495   1HD1  ILE  84          1HD1      ILE  84  22.602  -8.685   2.561
  496   2HD1  ILE  84          2HD1      ILE  84  21.064  -9.401   3.041
  497   3HD1  ILE  84          3HD1      ILE  84  21.727  -8.044   3.951
  498    H    LYS  85           H        LYS  85  20.682  -7.604  -2.525
  499    HA   LYS  85           HA       LYS  85  18.182  -8.848  -3.556
  500   1HB   LYS  85          1HB       LYS  85  20.032  -6.942  -4.577
  501   2HB   LYS  85          2HB       LYS  85  20.291  -8.390  -5.543
  502   1HG   LYS  85          1HG       LYS  85  17.967  -8.448  -6.178
  503   2HG   LYS  85          2HG       LYS  85  17.578  -7.155  -5.056
  504   1HD   LYS  85          1HD       LYS  85  19.078  -5.628  -6.285
  505   2HD   LYS  85          2HD       LYS  85  19.454  -6.918  -7.424
  506   1HE   LYS  85          1HE       LYS  85  17.481  -5.081  -7.845
  507   2HE   LYS  85          2HE       LYS  85  17.454  -6.697  -8.537
  508   1HZ   LYS  85          1HZ       LYS  85  16.314  -7.318  -6.336
  509   2HZ   LYS  85          2HZ       LYS  85  15.412  -6.517  -7.530
  510   3HZ   LYS  85          3HZ       LYS  85  16.013  -5.656  -6.195
  511    H    GLY  86           H        GLY  86  18.358 -10.819  -4.832
  512   1HA   GLY  86          1HA       GLY  86  20.510 -12.608  -3.823
  513   2HA   GLY  86          2HA       GLY  86  18.986 -13.133  -4.530
  514    H    ALA  87           H        ALA  87  20.641 -14.514  -5.718
  515    HA   ALA  87           HA       ALA  87  22.329 -13.326  -7.722
  516   1HB   ALA  87          1HB       ALA  87  22.914 -15.518  -7.085
  517   2HB   ALA  87          2HB       ALA  87  22.201 -15.739  -8.682
  518   3HB   ALA  87          3HB       ALA  87  21.258 -16.104  -7.235
  519    H    GLN  88           H        GLN  88  18.946 -13.543  -7.590
  520    HA   GLN  88           HA       GLN  88  18.778 -13.230 -10.574
  521   1HB   GLN  88          1HB       GLN  88  16.669 -14.574  -8.871
  522   2HB   GLN  88          2HB       GLN  88  16.773 -14.530 -10.633
  523   1HG   GLN  88          1HG       GLN  88  19.041 -15.707 -10.369
  524   2HG   GLN  88          2HG       GLN  88  18.566 -16.007  -8.697
  525   1HE2  GLN  88          1HE2      GLN  88  18.789 -18.363  -9.742
  526   2HE2  GLN  88          2HE2      GLN  88  17.349 -19.007 -10.362
  527    H    GLY  89           H        GLY  89  18.987 -11.074  -8.702
  528   1HA   GLY  89          1HA       GLY  89  17.986  -8.980  -8.417
  529   2HA   GLY  89          2HA       GLY  89  16.763  -9.494  -9.563
  530    H    GLY  90           H        GLY  90  16.406 -11.871  -7.483
  531   1HA   GLY  90          1HA       GLY  90  14.010 -11.021  -6.348
  532   2HA   GLY  90          2HA       GLY  90  14.993 -12.316  -5.680
  533    H    ASP  91           H        ASP  91  13.760  -9.282  -5.087
  534    HA   ASP  91           HA       ASP  91  15.887  -8.292  -3.353
  535   1HB   ASP  91          1HB       ASP  91  13.028  -7.435  -3.839
  536   2HB   ASP  91          2HB       ASP  91  14.065  -6.651  -2.659
  537    H    TYR  92           H        TYR  92  16.079  -8.676  -1.197
  538    HA   TYR  92           HA       TYR  92  13.844 -10.094   0.227
  539   1HB   TYR  92          1HB       TYR  92  16.832 -10.589   0.469
  540   2HB   TYR  92          2HB       TYR  92  15.593 -11.352   1.465
  541    HD1  TYR  92           HD1      TYR  92  14.129 -13.080   0.559
  542    HD2  TYR  92           HD2      TYR  92  17.026 -11.126  -1.943
  543    HE1  TYR  92           HE1      TYR  92  13.788 -14.805  -1.183
  544    HE2  TYR  92           HE2      TYR  92  16.683 -12.856  -3.678
  545    HH   TYR  92           HH       TYR  92  15.698 -14.782  -4.188
  546    H    PHE  93           H        PHE  93  13.162  -8.881   1.939
  547    HA   PHE  93           HA       PHE  93  14.929  -6.706   2.930
  548   1HB   PHE  93          1HB       PHE  93  11.962  -7.194   3.360
  549   2HB   PHE  93          2HB       PHE  93  12.861  -5.782   3.888
  550    HD1  PHE  93           HD1      PHE  93  14.025  -4.322   2.116
  551    HD2  PHE  93           HD2      PHE  93  11.113  -7.334   1.142
  552    HE1  PHE  93           HE1      PHE  93  13.710  -3.307  -0.118
  553    HE2  PHE  93           HE2      PHE  93  10.803  -6.309  -1.090
  554    HZ   PHE  93           HZ       PHE  93  12.105  -4.295  -1.720
  555    H    TYR  94           H        TYR  94  15.994  -7.006   4.763
  556    HA   TYR  94           HA       TYR  94  15.034  -9.033   6.745
  557   1HB   TYR  94          1HB       TYR  94  17.732  -8.134   5.799
  558   2HB   TYR  94          2HB       TYR  94  17.593  -8.579   7.499
  559    HD1  TYR  94           HD1      TYR  94  17.113 -10.837   8.186
  560    HD2  TYR  94           HD2      TYR  94  17.321  -9.786   4.028
  561    HE1  TYR  94           HE1      TYR  94  17.185 -13.240   7.574
  562    HE2  TYR  94           HE2      TYR  94  17.396 -12.185   3.422
  563    HH   TYR  94           HH       TYR  94  17.610 -14.274   4.203
  564    H    SER  95           H        SER  95  14.419  -8.300   8.710
  565    HA   SER  95           HA       SER  95  15.161  -5.491   9.487
  566   1HB   SER  95          1HB       SER  95  12.634  -6.272   8.891
  567   2HB   SER  95          2HB       SER  95  12.666  -6.682  10.604
  568    HG   SER  95           HG       SER  95  12.635  -4.654  11.067
  569    H    PHE  96           H        PHE  96  16.266  -5.381  11.357
  570    HA   PHE  96           HA       PHE  96  16.050  -7.618  13.347
  571   1HB   PHE  96          1HB       PHE  96  18.501  -6.169  12.312
  572   2HB   PHE  96          2HB       PHE  96  18.493  -7.055  13.836
  573    HD1  PHE  96           HD1      PHE  96  17.500  -9.503  13.705
  574    HD2  PHE  96           HD2      PHE  96  19.057  -7.334  10.361
  575    HE1  PHE  96           HE1      PHE  96  17.898 -11.638  12.508
  576    HE2  PHE  96           HE2      PHE  96  19.468  -9.455   9.164
  577    HZ   PHE  96           HZ       PHE  96  18.882 -11.613  10.233
  578    H    GLY  97           H        GLY  97  14.550  -6.214  14.464
  579   1HA   GLY  97          1HA       GLY  97  15.074  -4.856  16.651
  580   2HA   GLY  97          2HA       GLY  97  15.623  -3.632  15.504
  581    H    GLY  98           H        GLY  98  13.815  -2.360  16.571
  582   1HA   GLY  98          1HA       GLY  98  11.595  -1.557  16.602
  583   2HA   GLY  98          2HA       GLY  98  11.644  -1.963  14.889
  584    H    CYS  99           H        CYS  99  12.131  -4.664  16.942
  585    HA   CYS  99           HA       CYS  99   9.988  -6.163  15.973
  586   1HB   CYS  99          1HB       CYS  99  10.926  -6.436  18.830
  587   2HB   CYS  99          2HB       CYS  99  10.424  -7.703  17.711
  588    HG   CYS  99           HG       CYS  99  13.225  -6.866  18.031
  589    H    HIS 100           H        HIS 100  10.039  -4.300  19.035
  590    HA   HIS 100           HA       HIS 100   7.336  -4.796  19.743
  591   1HB   HIS 100          1HB       HIS 100   9.279  -2.575  20.356
  592   2HB   HIS 100          2HB       HIS 100   7.607  -2.444  20.895
  593    HD1  HIS 100           HD1      HIS 100  10.493  -4.940  21.095
  594    HD2  HIS 100           HD2      HIS 100   7.124  -3.804  23.278
  595    HE1  HIS 100           HE1      HIS 100  10.541  -6.284  23.244
  596    H    ARG 101           H        ARG 101   8.740  -2.352  17.586
  597    HA   ARG 101           HA       ARG 101   6.253  -0.943  17.181
  598   1HB   ARG 101          1HB       ARG 101   8.833  -1.064  15.608
  599   2HB   ARG 101          2HB       ARG 101   7.456  -0.102  15.077
  600   1HG   ARG 101          1HG       ARG 101   7.461   1.066  17.276
  601   2HG   ARG 101          2HG       ARG 101   8.884   0.138  17.743
  602   1HD   ARG 101          1HD       ARG 101   8.917   1.742  15.193
  603   2HD   ARG 101          2HD       ARG 101   9.199   2.539  16.741
  604    HE   ARG 101           HE       ARG 101  10.838   0.145  16.300
  605   1HH1  ARG 101          1HH1      ARG 101  10.469   3.558  15.961
  606   2HH1  ARG 101          2HH1      ARG 101  12.171   3.869  15.896
  607   1HH2  ARG 101          1HH2      ARG 101  13.063   0.534  16.221
  608   2HH2  ARG 101          2HH2      ARG 101  13.639   2.158  16.042
  609    H    TYR 102           H        TYR 102   7.711  -3.789  15.699
  610    HA   TYR 102           HA       TYR 102   5.998  -3.899  13.395
  611   1HB   TYR 102          1HB       TYR 102   7.949  -5.284  13.375
  612   2HB   TYR 102          2HB       TYR 102   7.545  -6.007  14.927
  613    HD1  TYR 102           HD1      TYR 102   5.701  -7.608  15.137
  614    HD2  TYR 102           HD2      TYR 102   6.912  -6.079  11.314
  615    HE1  TYR 102           HE1      TYR 102   4.460  -9.435  14.019
  616    HE2  TYR 102           HE2      TYR 102   5.676  -7.915  10.190
  617    HH   TYR 102           HH       TYR 102   4.838 -10.604  11.444
  618    H    ALA 103           H        ALA 103   5.738  -5.240  16.679
  619    HA   ALA 103           HA       ALA 103   3.300  -6.670  16.318
  620   1HB   ALA 103          1HB       ALA 103   4.528  -5.329  18.735
  621   2HB   ALA 103          2HB       ALA 103   4.521  -7.047  18.337
  622   3HB   ALA 103          3HB       ALA 103   3.026  -6.249  18.826
  623    H    ALA 104           H        ALA 104   3.894  -3.282  17.262
  624    HA   ALA 104           HA       ALA 104   1.173  -2.580  17.712
  625   1HB   ALA 104          1HB       ALA 104   3.579  -0.970  16.842
  626   2HB   ALA 104          2HB       ALA 104   2.823  -1.024  18.435
  627   3HB   ALA 104          3HB       ALA 104   2.000  -0.225  17.095
  628    H    TYR 105           H        TYR 105   3.149  -2.381  14.744
  629    HA   TYR 105           HA       TYR 105   1.016  -1.349  13.111
  630   1HB   TYR 105          1HB       TYR 105   3.749  -2.486  12.703
  631   2HB   TYR 105          2HB       TYR 105   2.671  -2.578  11.320
  632    HD1  TYR 105           HD1      TYR 105   4.771  -0.426  13.335
  633    HD2  TYR 105           HD2      TYR 105   1.573  -0.459  10.466
  634    HE1  TYR 105           HE1      TYR 105   5.226   1.954  12.789
  635    HE2  TYR 105           HE2      TYR 105   2.021   1.920   9.936
  636    HH   TYR 105           HH       TYR 105   3.103   3.792  10.662
  637    H    GLN 106           H        GLN 106   2.250  -4.633  13.732
  638    HA   GLN 106           HA       GLN 106   0.575  -6.003  11.901
  639   1HB   GLN 106          1HB       GLN 106   2.544  -6.971  13.140
  640   2HB   GLN 106          2HB       GLN 106   1.545  -7.011  14.590
  641   1HG   GLN 106          1HG       GLN 106   0.640  -8.315  12.025
  642   2HG   GLN 106          2HG       GLN 106   1.676  -9.170  13.159
  643   1HE2  GLN 106          1HE2      GLN 106   0.749  -9.566  15.390
  644   2HE2  GLN 106          2HE2      GLN 106  -0.930  -9.537  15.609
  645    H    GLN 107           H        GLN 107   0.117  -5.410  15.401
  646    HA   GLN 107           HA       GLN 107  -2.419  -6.580  15.677
  647   1HB   GLN 107          1HB       GLN 107  -0.959  -5.692  17.516
  648   2HB   GLN 107          2HB       GLN 107  -1.453  -4.064  17.057
  649   1HG   GLN 107          1HG       GLN 107  -3.512  -6.189  17.676
  650   2HG   GLN 107          2HG       GLN 107  -2.751  -5.260  18.958
  651   1HE2  GLN 107          1HE2      GLN 107  -5.495  -4.920  18.617
  652   2HE2  GLN 107          2HE2      GLN 107  -5.815  -3.401  17.931
  653    H    LEU 108           H        LEU 108  -1.560  -3.307  14.573
  654    HA   LEU 108           HA       LEU 108  -4.319  -2.433  14.386
  655   1HB   LEU 108          1HB       LEU 108  -1.752  -1.365  13.189
  656   2HB   LEU 108          2HB       LEU 108  -3.310  -0.560  13.013
  657    HG   LEU 108           HG       LEU 108  -2.048  -1.268  15.684
  658   1HD1  LEU 108          1HD1      LEU 108  -2.241   1.494  14.472
  659   2HD1  LEU 108          2HD1      LEU 108  -0.818   0.477  14.254
  660   3HD1  LEU 108          3HD1      LEU 108  -1.300   0.981  15.874
  661   1HD2  LEU 108          1HD2      LEU 108  -4.606   0.055  14.840
  662   2HD2  LEU 108          2HD2      LEU 108  -3.799   0.677  16.276
  663   3HD2  LEU 108          3HD2      LEU 108  -4.287  -1.011  16.207
  664    H    GLN 109           H        GLN 109  -3.014  -4.875  12.815
  665    HA   GLN 109           HA       GLN 109  -3.281  -5.851  10.688
  666   1HB   GLN 109          1HB       GLN 109  -5.909  -4.358  10.716
  667   2HB   GLN 109          2HB       GLN 109  -5.557  -5.921   9.978
  668   1HG   GLN 109          1HG       GLN 109  -4.995  -6.740  12.341
  669   2HG   GLN 109          2HG       GLN 109  -5.742  -5.251  12.922
  670   1HE2  GLN 109          1HE2      GLN 109  -7.396  -5.890  10.142
  671   2HE2  GLN 109          2HE2      GLN 109  -8.665  -6.832  10.761
  672    H    ARG 110           H        ARG 110  -1.879  -3.318  10.582
  673    HA   ARG 110           HA       ARG 110  -2.967  -1.718   8.422
  674   1HB   ARG 110          1HB       ARG 110  -0.254  -1.906   9.731
  675   2HB   ARG 110          2HB       ARG 110  -0.537  -0.845   8.359
  676   1HG   ARG 110          1HG       ARG 110  -2.113  -0.784  10.957
  677   2HG   ARG 110          2HG       ARG 110  -0.791   0.311  10.572
  678   1HD   ARG 110          1HD       ARG 110  -3.578   0.237   9.474
  679   2HD   ARG 110          2HD       ARG 110  -2.577   1.623   9.893
  680    HE   ARG 110           HE       ARG 110  -1.254   0.650   7.721
  681   1HH1  ARG 110          1HH1      ARG 110  -4.580   1.269   8.401
  682   2HH1  ARG 110          2HH1      ARG 110  -4.984   1.626   6.756
  683   1HH2  ARG 110          1HH2      ARG 110  -1.766   1.116   5.573
  684   2HH2  ARG 110          2HH2      ARG 110  -3.392   1.541   5.156
  685    H    GLU 111           H        GLU 111  -1.970  -1.563   6.288
  686    HA   GLU 111           HA       GLU 111  -1.457  -4.231   5.187
  687   1HB   GLU 111          1HB       GLU 111  -1.891  -1.488   4.031
  688   2HB   GLU 111          2HB       GLU 111  -1.212  -2.758   3.013
  689   1HG   GLU 111          1HG       GLU 111  -3.739  -3.167   4.626
  690   2HG   GLU 111          2HG       GLU 111  -3.759  -2.529   2.986
  691    H    THR 112           H        THR 112   0.416  -1.185   5.534
  692    HA   THR 112           HA       THR 112   2.908  -2.810   5.060
  693    HB   THR 112           HB       THR 112   3.832  -0.781   3.900
  694    HG1  THR 112           HG1      THR 112   1.119   0.022   4.065
  695   1HG2  THR 112          1HG2      THR 112   3.260  -2.025   2.095
  696   2HG2  THR 112          2HG2      THR 112   1.766  -1.101   2.025
  697   3HG2  THR 112          3HG2      THR 112   1.808  -2.636   2.889
  698    H    ILE 113           H        ILE 113   4.876  -1.331   5.698
  699    HA   ILE 113           HA       ILE 113   4.232   0.263   8.140
  700    HB   ILE 113           HB       ILE 113   4.854  -2.093   8.779
  701   1HG1  ILE 113          1HG1      ILE 113   6.867   0.011   9.610
  702   2HG1  ILE 113          2HG1      ILE 113   5.215  -0.056  10.218
  703   1HG2  ILE 113          1HG2      ILE 113   6.572  -2.261   6.865
  704   2HG2  ILE 113          2HG2      ILE 113   7.078  -2.886   8.434
  705   3HG2  ILE 113          3HG2      ILE 113   7.641  -1.308   7.893
  706   1HD1  ILE 113          1HD1      ILE 113   7.397  -2.129  10.555
  707   2HD1  ILE 113          2HD1      ILE 113   5.705  -2.448  10.938
  708   3HD1  ILE 113          3HD1      ILE 113   6.591  -1.205  11.822
  709    HA   PRO 114           HA       PRO 114   7.353   2.871   6.191
  710   1HB   PRO 114          1HB       PRO 114   7.872   4.162   8.809
  711   2HB   PRO 114          2HB       PRO 114   7.209   4.871   7.327
  712   1HG   PRO 114          1HG       PRO 114   5.714   4.437   9.540
  713   2HG   PRO 114          2HG       PRO 114   5.045   4.356   7.902
  714   1HD   PRO 114          1HD       PRO 114   5.832   2.107   9.742
  715   2HD   PRO 114          2HD       PRO 114   4.438   2.249   8.660
  716    H    ALA 115           H        ALA 115   9.500   2.442   5.847
  717    HA   ALA 115           HA       ALA 115  11.275   1.709   8.078
  718   1HB   ALA 115          1HB       ALA 115  10.226  -0.449   7.420
  719   2HB   ALA 115          2HB       ALA 115  11.957  -0.424   7.084
  720   3HB   ALA 115          3HB       ALA 115  10.801  -0.204   5.771
  721    H    LYS 116           H        LYS 116  13.305   2.440   7.659
  722    HA   LYS 116           HA       LYS 116  13.796   3.854   5.163
  723   1HB   LYS 116          1HB       LYS 116  14.701   4.203   7.718
  724   2HB   LYS 116          2HB       LYS 116  16.068   3.326   7.044
  725   1HG   LYS 116          1HG       LYS 116  16.282   4.977   5.248
  726   2HG   LYS 116          2HG       LYS 116  14.848   5.822   5.829
  727   1HD   LYS 116          1HD       LYS 116  16.848   6.974   6.633
  728   2HD   LYS 116          2HD       LYS 116  16.002   6.241   7.994
  729   1HE   LYS 116          1HE       LYS 116  18.156   4.654   6.620
  730   2HE   LYS 116          2HE       LYS 116  18.623   5.940   7.733
  731   1HZ   LYS 116          1HZ       LYS 116  16.527   4.170   8.671
  732   2HZ   LYS 116          2HZ       LYS 116  17.858   4.821   9.501
  733   3HZ   LYS 116          3HZ       LYS 116  18.058   3.460   8.504
  734    H    LEU 117           H        LEU 117  14.306   2.673   3.350
  735    HA   LEU 117           HA       LEU 117  15.503   0.025   3.564
  736   1HB   LEU 117          1HB       LEU 117  15.277   1.788   1.105
  737   2HB   LEU 117          2HB       LEU 117  15.581   0.054   1.122
  738    HG   LEU 117           HG       LEU 117  13.050   1.448   2.059
  739   1HD1  LEU 117          1HD1      LEU 117  12.100  -0.060   0.199
  740   2HD1  LEU 117          2HD1      LEU 117  13.771  -0.265  -0.325
  741   3HD1  LEU 117          3HD1      LEU 117  13.043   1.339  -0.320
  742   1HD2  LEU 117          1HD2      LEU 117  12.276  -1.048   2.165
  743   2HD2  LEU 117          2HD2      LEU 117  13.212  -0.402   3.509
  744   3HD2  LEU 117          3HD2      LEU 117  13.998  -1.407   2.290
  745    H    VAL 118           H        VAL 118  17.644  -0.521   3.399
  746    HA   VAL 118           HA       VAL 118  19.627   1.631   2.786
  747    HB   VAL 118           HB       VAL 118  19.585  -0.212   5.196
  748   1HG1  VAL 118          1HG1      VAL 118  21.760   1.591   4.113
  749   2HG1  VAL 118          2HG1      VAL 118  21.858  -0.140   4.437
  750   3HG1  VAL 118          3HG1      VAL 118  21.733   1.001   5.774
  751   1HG2  VAL 118          1HG2      VAL 118  19.661   2.813   4.981
  752   2HG2  VAL 118          2HG2      VAL 118  19.561   1.871   6.468
  753   3HG2  VAL 118          3HG2      VAL 118  18.214   1.866   5.330
  754    H    GLN 119           H        GLN 119  20.462   0.762   0.905
  755    HA   GLN 119           HA       GLN 119  20.638  -1.894   0.113
  756   1HB   GLN 119          1HB       GLN 119  22.664   0.323  -0.331
  757   2HB   GLN 119          2HB       GLN 119  22.691  -1.217  -1.188
  758   1HG   GLN 119          1HG       GLN 119  21.524   0.309  -2.614
  759   2HG   GLN 119          2HG       GLN 119  20.295  -0.720  -1.889
  760   1HE2  GLN 119          1HE2      GLN 119  18.554   0.821  -1.798
  761   2HE2  GLN 119          2HE2      GLN 119  18.637   2.261  -0.907
  762    H    SER 120           H        SER 120  21.848  -3.649   0.722
  763    HA   SER 120           HA       SER 120  24.248  -3.232   2.450
  764   1HB   SER 120          1HB       SER 120  21.778  -4.818   3.121
  765   2HB   SER 120          2HB       SER 120  23.332  -5.265   3.805
  766    HG   SER 120           HG       SER 120  22.026  -2.759   4.004
  767    H    THR 121           H        THR 121  25.174  -5.635   2.845
  768    HA   THR 121           HA       THR 121  25.088  -7.104   0.230
  769    HB   THR 121           HB       THR 121  27.570  -7.557   0.725
  770    HG1  THR 121           HG1      THR 121  27.303  -5.205   2.260
  771   1HG2  THR 121          1HG2      THR 121  27.003  -6.111  -1.092
  772   2HG2  THR 121          2HG2      THR 121  28.221  -5.255  -0.147
  773   3HG2  THR 121          3HG2      THR 121  26.519  -4.816   0.003
  774    H    LEU 122           H        LEU 122  25.742  -9.382   0.432
  775    HA   LEU 122           HA       LEU 122  24.412 -10.726   2.527
  776   1HB   LEU 122          1HB       LEU 122  25.131 -11.741   0.315
  777   2HB   LEU 122          2HB       LEU 122  26.762 -11.843   0.969
  778    HG   LEU 122           HG       LEU 122  25.828 -13.206   2.880
  779   1HD1  LEU 122          1HD1      LEU 122  23.320 -12.814   1.263
  780   2HD1  LEU 122          2HD1      LEU 122  23.531 -12.822   3.011
  781   3HD1  LEU 122          3HD1      LEU 122  23.546 -14.337   2.119
  782   1HD2  LEU 122          1HD2      LEU 122  26.932 -14.403   1.138
  783   2HD2  LEU 122          2HD2      LEU 122  25.590 -14.158   0.020
  784   3HD2  LEU 122          3HD2      LEU 122  25.406 -15.252   1.391
  785    H    SER 123           H        SER 123  27.609  -9.330   2.490
  786    HA   SER 123           HA       SER 123  28.774 -10.870   4.602
  787   1HB   SER 123          1HB       SER 123  30.073  -9.353   3.123
  788   2HB   SER 123          2HB       SER 123  29.279  -7.968   3.874
  789    HG   SER 123           HG       SER 123  31.153  -9.757   4.938
  790    H    ASP 124           H        ASP 124  27.013  -7.746   4.661
  791    HA   ASP 124           HA       ASP 124  27.125  -7.315   7.452
  792   1HB   ASP 124          1HB       ASP 124  26.150  -5.759   5.640
  793   2HB   ASP 124          2HB       ASP 124  24.669  -6.701   5.791
  794    H    LEU 125           H        LEU 125  24.828  -9.241   5.522
  795    HA   LEU 125           HA       LEU 125  23.156  -9.960   7.717
  796   1HB   LEU 125          1HB       LEU 125  22.916 -10.331   5.086
  797   2HB   LEU 125          2HB       LEU 125  23.629 -11.895   5.463
  798    HG   LEU 125           HG       LEU 125  21.797 -12.047   7.313
  799   1HD1  LEU 125          1HD1      LEU 125  19.696 -10.813   6.593
  800   2HD1  LEU 125          2HD1      LEU 125  20.712  -9.826   5.553
  801   3HD1  LEU 125          3HD1      LEU 125  20.939  -9.789   7.298
  802   1HD2  LEU 125          1HD2      LEU 125  21.844 -13.404   5.247
  803   2HD2  LEU 125          2HD2      LEU 125  20.997 -12.115   4.392
  804   3HD2  LEU 125          3HD2      LEU 125  20.197 -12.975   5.708
  805    H    ARG 126           H        ARG 126  26.134 -11.384   6.443
  806    HA   ARG 126           HA       ARG 126  26.187 -13.769   7.998
  807   1HB   ARG 126          1HB       ARG 126  27.820 -13.056   6.159
  808   2HB   ARG 126          2HB       ARG 126  28.589 -12.025   7.362
  809   1HG   ARG 126          1HG       ARG 126  29.880 -13.948   7.586
  810   2HG   ARG 126          2HG       ARG 126  28.641 -14.266   8.796
  811   1HD   ARG 126          1HD       ARG 126  27.358 -15.426   6.841
  812   2HD   ARG 126          2HD       ARG 126  28.917 -15.422   6.025
  813    HE   ARG 126           HE       ARG 126  29.255 -16.490   8.654
  814   1HH1  ARG 126          1HH1      ARG 126  27.842 -17.148   5.579
  815   2HH1  ARG 126          2HH1      ARG 126  27.986 -18.867   5.732
  816   1HH2  ARG 126          1HH2      ARG 126  29.451 -18.731   8.871
  817   2HH2  ARG 126          2HH2      ARG 126  28.897 -19.764   7.596
  818    H    VAL 127           H        VAL 127  27.075 -10.438   8.836
  819    HA   VAL 127           HA       VAL 127  28.279 -10.975  11.353
  820    HB   VAL 127           HB       VAL 127  26.581  -8.594  10.538
  821   1HG1  VAL 127          1HG1      VAL 127  27.939  -7.458  12.334
  822   2HG1  VAL 127          2HG1      VAL 127  28.535  -9.047  12.810
  823   3HG1  VAL 127          3HG1      VAL 127  26.818  -8.672  12.948
  824   1HG2  VAL 127          1HG2      VAL 127  28.478  -8.890   9.042
  825   2HG2  VAL 127          2HG2      VAL 127  29.561  -9.140  10.408
  826   3HG2  VAL 127          3HG2      VAL 127  28.831  -7.557  10.139
  827    H    TYR 128           H        TYR 128  24.894 -10.772  10.335
  828    HA   TYR 128           HA       TYR 128  23.945 -11.076  13.133
  829   1HB   TYR 128          1HB       TYR 128  22.462 -10.926  10.497
  830   2HB   TYR 128          2HB       TYR 128  21.681 -11.083  12.068
  831    HD1  TYR 128           HD1      TYR 128  21.897  -9.270  13.769
  832    HD2  TYR 128           HD2      TYR 128  23.370  -8.843   9.762
  833    HE1  TYR 128           HE1      TYR 128  21.999  -6.811  14.069
  834    HE2  TYR 128           HE2      TYR 128  23.473  -6.386  10.058
  835    HH   TYR 128           HH       TYR 128  22.287  -4.663  11.550
  836    H    LEU 129           H        LEU 129  23.728 -12.937  10.087
  837    HA   LEU 129           HA       LEU 129  23.028 -15.375  11.680
  838   1HB   LEU 129          1HB       LEU 129  22.477 -14.671   8.790
  839   2HB   LEU 129          2HB       LEU 129  22.004 -16.168   9.582
  840    HG   LEU 129           HG       LEU 129  21.037 -13.373  10.248
  841   1HD1  LEU 129          1HD1      LEU 129  18.808 -14.537   9.656
  842   2HD1  LEU 129          2HD1      LEU 129  19.803 -15.806   8.937
  843   3HD1  LEU 129          3HD1      LEU 129  19.896 -14.155   8.322
  844   1HD2  LEU 129          1HD2      LEU 129  19.433 -14.813  11.763
  845   2HD2  LEU 129          2HD2      LEU 129  21.035 -14.389  12.357
  846   3HD2  LEU 129          3HD2      LEU 129  20.740 -15.998  11.695
  847    H    GLY 130           H        GLY 130  25.761 -14.650  11.364
  848   1HA   GLY 130          1HA       GLY 130  26.979 -15.869   9.097
  849   2HA   GLY 130          2HA       GLY 130  27.793 -15.547  10.624
  850    H    ALA 131           H        ALA 131  24.943 -17.659  10.144
  851    HA   ALA 131           HA       ALA 131  26.610 -20.070  10.426
  852   1HB   ALA 131          1HB       ALA 131  25.052 -20.777  12.409
  853   2HB   ALA 131          2HB       ALA 131  24.791 -19.042  12.598
  854   3HB   ALA 131          3HB       ALA 131  26.416 -19.708  12.738
  855    H    SER 132           H        SER 132  23.176 -19.043  10.780
  856    HA   SER 132           HA       SER 132  22.391 -21.340   9.045
  857   1HB   SER 132          1HB       SER 132  21.214 -20.913  11.241
  858   2HB   SER 132          2HB       SER 132  20.608 -19.406  10.553
  859    HG   SER 132           HG       SER 132  19.545 -20.571   8.981
  860    H    THR 133           H        THR 133  23.750 -19.103   7.852
  861    HA   THR 133           HA       THR 133  21.817 -17.319   6.658
  862    HB   THR 133           HB       THR 133  24.383 -17.676   5.208
  863    HG1  THR 133           HG1      THR 133  24.612 -16.658   7.792
  864   1HG2  THR 133          1HG2      THR 133  22.716 -15.671   5.255
  865   2HG2  THR 133          2HG2      THR 133  24.447 -15.335   5.285
  866   3HG2  THR 133          3HG2      THR 133  23.509 -15.261   6.775
  867    HA   PRO 134           HA       PRO 134  20.814 -20.440   3.465
  868   1HB   PRO 134          1HB       PRO 134  18.629 -19.253   2.410
  869   2HB   PRO 134          2HB       PRO 134  18.587 -20.008   4.013
  870   1HG   PRO 134          1HG       PRO 134  18.849 -17.119   3.280
  871   2HG   PRO 134          2HG       PRO 134  17.865 -17.869   4.550
  872   1HD   PRO 134          1HD       PRO 134  20.340 -16.687   4.993
  873   2HD   PRO 134          2HD       PRO 134  19.640 -17.932   6.045
  874    H    ASP 135           H        ASP 135  20.089 -20.007   0.963
  875    HA   ASP 135           HA       ASP 135  22.134 -18.138  -0.158
  876   1HB   ASP 135          1HB       ASP 135  22.218 -20.645  -0.655
  877   2HB   ASP 135          2HB       ASP 135  20.758 -20.409  -1.610
  878    H    LEU 136           H        LEU 136  21.428 -16.461  -1.291
  879    HA   LEU 136           HA       LEU 136  18.524 -16.082  -1.698
  880   1HB   LEU 136          1HB       LEU 136  20.860 -14.217  -2.188
  881   2HB   LEU 136          2HB       LEU 136  19.160 -13.773  -2.303
  882    HG   LEU 136           HG       LEU 136  20.521 -14.811   0.200
  883   1HD1  LEU 136          1HD1      LEU 136  19.530 -12.018  -0.441
  884   2HD1  LEU 136          2HD1      LEU 136  21.217 -12.511  -0.569
  885   3HD1  LEU 136          3HD1      LEU 136  20.410 -12.527   1.000
  886   1HD2  LEU 136          1HD2      LEU 136  18.270 -15.391   0.478
  887   2HD2  LEU 136          2HD2      LEU 136  17.694 -14.028  -0.490
  888   3HD2  LEU 136          3HD2      LEU 136  18.290 -13.761   1.146
  889    H    GLN 137           H        GLN 137  17.527 -16.090  -3.647
  890    HA   GLN 137           HA       GLN 137  19.188 -16.329  -6.131
  891   1HB   GLN 137          1HB       GLN 137  16.567 -17.783  -5.742
  892   2HB   GLN 137          2HB       GLN 137  17.830 -18.091  -6.931
  893   1HG   GLN 137          1HG       GLN 137  18.011 -18.564  -3.945
  894   2HG   GLN 137          2HG       GLN 137  17.932 -19.801  -5.199
  895   1HE2  GLN 137          1HE2      GLN 137  20.163 -18.570  -3.172
  896   2HE2  GLN 137          2HE2      GLN 137  21.535 -18.592  -4.161
  897   1H5*  ATP   1          1H5*      ATP   1   9.598   2.049  19.756
  898   2H5*  ATP   1          2H5*      ATP   1  10.810   2.027  21.003
  899    H4*  ATP   1           H4*      ATP   1  11.072   4.185  18.881
  900    H3*  ATP   1           H3*      ATP   1  11.799   3.955  21.785
  901   *HO3  ATP   1          *HO3      ATP   1  13.155   4.450  20.001
  902    H2*  ATP   1           H2*      ATP   1  10.231   5.450  22.507
  903   *HO2  ATP   1          *HO2      ATP   1  12.130   6.681  21.102
  904    H1*  ATP   1           H1*      ATP   1   9.752   6.441  19.653
  905    H8   ATP   1           H8       ATP   1   7.738   8.014  19.928
  906    H2   ATP   1           H2       ATP   1   7.130   3.353  24.303
  907   1HN6  ATP   1          1HN6      ATP   1   3.604   6.117  24.181
  908   2HN6  ATP   1          2HN6      ATP   1   3.661   6.882  22.612
  Start of MODEL   18
    1   1H    GLY  17          1H        GLY  17  29.916  12.510 -22.590
    2   2H    GLY  17          2H        GLY  17  28.566  12.221 -23.581
    3   3H    GLY  17          3H        GLY  17  29.469  13.648 -23.766
    4   1HA   GLY  17          1HA       GLY  17  30.087  12.222 -25.536
    5   2HA   GLY  17          2HA       GLY  17  31.421  12.253 -24.383
    6    H    ALA  18           H        ALA  18  29.876  10.613 -22.426
    7    HA   ALA  18           HA       ALA  18  30.826   8.049 -23.128
    8   1HB   ALA  18          1HB       ALA  18  29.016   7.303 -21.378
    9   2HB   ALA  18          2HB       ALA  18  28.763   9.035 -21.170
   10   3HB   ALA  18          3HB       ALA  18  30.346   8.331 -20.846
   11    HA   PRO  19           HA       PRO  19  28.184   6.183 -26.160
   12   1HB   PRO  19          1HB       PRO  19  27.394   4.318 -23.930
   13   2HB   PRO  19          2HB       PRO  19  27.783   3.940 -25.620
   14   1HG   PRO  19          1HG       PRO  19  29.577   3.602 -23.655
   15   2HG   PRO  19          2HG       PRO  19  30.059   4.140 -25.272
   16   1HD   PRO  19          1HD       PRO  19  29.998   5.682 -22.732
   17   2HD   PRO  19          2HD       PRO  19  30.898   6.016 -24.226
   18    H    GLU  20           H        GLU  20  26.109   6.668 -26.836
   19    HA   GLU  20           HA       GLU  20  24.343   8.140 -25.104
   20   1HB   GLU  20          1HB       GLU  20  22.748   8.015 -27.007
   21   2HB   GLU  20          2HB       GLU  20  24.355   8.516 -27.526
   22   1HG   GLU  20          1HG       GLU  20  23.771   6.881 -29.117
   23   2HG   GLU  20          2HG       GLU  20  24.765   5.981 -27.974
   24    H    GLY  21           H        GLY  21  22.451   7.467 -24.064
   25   1HA   GLY  21          1HA       GLY  21  20.910   5.216 -24.363
   26   2HA   GLY  21          2HA       GLY  21  22.288   4.612 -23.443
   27    HA   PRO  22           HA       PRO  22  20.569   6.261 -19.731
   28   1HB   PRO  22          1HB       PRO  22  22.699   7.286 -18.380
   29   2HB   PRO  22          2HB       PRO  22  22.522   5.548 -18.690
   30   1HG   PRO  22          1HG       PRO  22  24.176   7.573 -20.149
   31   2HG   PRO  22          2HG       PRO  22  24.606   5.932 -19.640
   32   1HD   PRO  22          1HD       PRO  22  23.821   6.554 -22.208
   33   2HD   PRO  22          2HD       PRO  22  23.554   4.957 -21.476
   34    H    GLY  23           H        GLY  23  20.615   8.186 -22.060
   35   1HA   GLY  23          1HA       GLY  23  19.856  10.563 -20.555
   36   2HA   GLY  23          2HA       GLY  23  21.330  10.792 -21.493
   37    HA   PRO  24           HA       PRO  24  18.044   9.859 -24.840
   38   1HB   PRO  24          1HB       PRO  24  15.532   9.108 -24.115
   39   2HB   PRO  24          2HB       PRO  24  16.873   7.950 -24.212
   40   1HG   PRO  24          1HG       PRO  24  15.717   9.313 -21.809
   41   2HG   PRO  24          2HG       PRO  24  16.191   7.619 -22.016
   42   1HD   PRO  24          1HD       PRO  24  17.786   9.489 -20.767
   43   2HD   PRO  24          2HD       PRO  24  18.440   8.076 -21.621
   44    H    SER  25           H        SER  25  16.714  11.392 -25.912
   45    HA   SER  25           HA       SER  25  16.446  13.965 -24.848
   46   1HB   SER  25          1HB       SER  25  14.700  14.318 -26.630
   47   2HB   SER  25          2HB       SER  25  16.191  13.589 -27.227
   48    HG   SER  25           HG       SER  25  13.745  12.637 -27.404
   49    H    GLY  26           H        GLY  26  13.619  11.830 -25.388
   50   1HA   GLY  26          1HA       GLY  26  11.830  13.256 -23.750
   51   2HA   GLY  26          2HA       GLY  26  11.690  11.529 -24.083
   52    H    GLY  27           H        GLY  27  12.973  13.921 -21.843
   53   1HA   GLY  27          1HA       GLY  27  12.607  12.325 -19.544
   54   2HA   GLY  27          2HA       GLY  27  14.278  12.096 -20.058
   55    H    ALA  28           H        ALA  28  11.926  14.705 -19.385
   56    HA   ALA  28           HA       ALA  28  14.006  16.700 -19.031
   57   1HB   ALA  28          1HB       ALA  28  12.176  18.125 -18.195
   58   2HB   ALA  28          2HB       ALA  28  11.107  16.724 -18.134
   59   3HB   ALA  28          3HB       ALA  28  11.700  17.313 -19.687
   60    H    GLN  29           H        GLN  29  13.103  14.090 -17.168
   61    HA   GLN  29           HA       GLN  29  13.266  15.314 -14.533
   62   1HB   GLN  29          1HB       GLN  29  13.476  12.435 -15.461
   63   2HB   GLN  29          2HB       GLN  29  13.484  12.923 -13.766
   64   1HG   GLN  29          1HG       GLN  29  11.213  12.343 -14.322
   65   2HG   GLN  29          2HG       GLN  29  11.282  14.101 -14.200
   66   1HE2  GLN  29          1HE2      GLN  29   9.332  14.060 -15.687
   67   2HE2  GLN  29          2HE2      GLN  29   9.583  13.887 -17.357
   68    H    GLY  30           H        GLY  30  15.518  13.503 -16.619
   69   1HA   GLY  30          1HA       GLY  30  17.786  14.864 -15.376
   70   2HA   GLY  30          2HA       GLY  30  17.710  13.142 -14.999
   71    H    GLY  31           H        GLY  31  19.858  13.319 -16.261
   72   1HA   GLY  31          1HA       GLY  31  19.414  12.271 -18.931
   73   2HA   GLY  31          2HA       GLY  31  20.124  13.885 -18.967
   74    H    SER  32           H        SER  32  20.713  11.355 -16.546
   75    HA   SER  32           HA       SER  32  23.249  10.532 -17.668
   76   1HB   SER  32          1HB       SER  32  23.254  12.541 -15.400
   77   2HB   SER  32          2HB       SER  32  24.646  11.542 -15.817
   78    HG   SER  32           HG       SER  32  23.376  12.976 -17.846
   79    H    ILE  33           H        ILE  33  23.965   8.676 -16.627
   80    HA   ILE  33           HA       ILE  33  22.595   7.897 -14.071
   81    HB   ILE  33           HB       ILE  33  23.226   6.090 -16.425
   82   1HG1  ILE  33          1HG1      ILE  33  21.248   7.798 -16.607
   83   2HG1  ILE  33          2HG1      ILE  33  20.953   6.113 -17.013
   84   1HG2  ILE  33          1HG2      ILE  33  21.749   4.506 -15.041
   85   2HG2  ILE  33          2HG2      ILE  33  22.017   5.619 -13.700
   86   3HG2  ILE  33          3HG2      ILE  33  23.384   4.796 -14.449
   87   1HD1  ILE  33          1HD1      ILE  33  20.497   6.955 -14.173
   88   2HD1  ILE  33          2HD1      ILE  33  19.664   5.736 -15.132
   89   3HD1  ILE  33          3HD1      ILE  33  19.317   7.445 -15.386
   90    H    HIS  34           H        HIS  34  24.025   7.328 -12.512
   91    HA   HIS  34           HA       HIS  34  26.456   5.868 -13.058
   92   1HB   HIS  34          1HB       HIS  34  27.161   8.107 -13.861
   93   2HB   HIS  34          2HB       HIS  34  26.756   8.787 -12.285
   94    HD1  HIS  34           HD1      HIS  34  28.951   5.978 -13.664
   95    HD2  HIS  34           HD2      HIS  34  28.898   8.744 -10.546
   96    HE1  HIS  34           HE1      HIS  34  31.137   5.693 -12.417
   97    H    SER  35           H        SER  35  24.346   7.629 -10.932
   98    HA   SER  35           HA       SER  35  24.841   5.792  -8.758
   99   1HB   SER  35          1HB       SER  35  26.865   7.325  -8.648
  100   2HB   SER  35          2HB       SER  35  25.751   8.640  -8.274
  101    HG   SER  35           HG       SER  35  26.429   7.786  -6.352
  102    H    GLY  36           H        GLY  36  22.518   6.554 -10.085
  103   1HA   GLY  36          1HA       GLY  36  21.131   8.651  -8.606
  104   2HA   GLY  36          2HA       GLY  36  20.398   7.551  -9.774
  105    H    ARG  37           H        ARG  37  22.261   6.636  -6.894
  106    HA   ARG  37           HA       ARG  37  20.554   4.586  -6.050
  107   1HB   ARG  37          1HB       ARG  37  22.855   5.228  -5.117
  108   2HB   ARG  37          2HB       ARG  37  22.003   6.399  -4.110
  109   1HG   ARG  37          1HG       ARG  37  20.662   4.620  -3.111
  110   2HG   ARG  37          2HG       ARG  37  21.392   3.428  -4.187
  111   1HD   ARG  37          1HD       ARG  37  22.537   3.270  -2.073
  112   2HD   ARG  37          2HD       ARG  37  23.638   4.061  -3.200
  113    HE   ARG  37           HE       ARG  37  22.189   6.107  -1.896
  114   1HH1  ARG  37          1HH1      ARG  37  24.390   3.548  -1.192
  115   2HH1  ARG  37          2HH1      ARG  37  25.100   4.355   0.167
  116   1HH2  ARG  37          1HH2      ARG  37  23.105   7.175  -0.127
  117   2HH2  ARG  37          2HH2      ARG  37  24.373   6.408   0.770
  118    H    ILE  38           H        ILE  38  19.004   4.558  -4.213
  119    HA   ILE  38           HA       ILE  38  17.699   7.171  -3.618
  120    HB   ILE  38           HB       ILE  38  16.197   4.751  -4.689
  121   1HG1  ILE  38          1HG1      ILE  38  16.960   7.405  -5.932
  122   2HG1  ILE  38          2HG1      ILE  38  17.427   5.797  -6.484
  123   1HG2  ILE  38          1HG2      ILE  38  15.156   7.558  -4.192
  124   2HG2  ILE  38          2HG2      ILE  38  15.006   6.269  -2.998
  125   3HG2  ILE  38          3HG2      ILE  38  14.223   6.111  -4.565
  126   1HD1  ILE  38          1HD1      ILE  38  14.903   5.343  -6.746
  127   2HD1  ILE  38          2HD1      ILE  38  15.650   6.419  -7.927
  128   3HD1  ILE  38          3HD1      ILE  38  14.700   7.089  -6.601
  129    H    ALA  39           H        ALA  39  18.238   7.019  -1.467
  130    HA   ALA  39           HA       ALA  39  17.219   4.636   0.060
  131   1HB   ALA  39          1HB       ALA  39  19.546   6.505   0.549
  132   2HB   ALA  39          2HB       ALA  39  19.576   4.750   0.373
  133   3HB   ALA  39          3HB       ALA  39  18.883   5.480   1.822
  134    H    ALA  40           H        ALA  40  15.221   5.261   0.782
  135    HA   ALA  40           HA       ALA  40  15.074   7.586   2.587
  136   1HB   ALA  40          1HB       ALA  40  13.505   8.837   1.381
  137   2HB   ALA  40          2HB       ALA  40  13.015   7.461   0.392
  138   3HB   ALA  40          3HB       ALA  40  14.560   8.254   0.096
  139    H    VAL  41           H        VAL  41  12.478   7.721   3.146
  140    HA   VAL  41           HA       VAL  41  11.929   5.184   4.460
  141    HB   VAL  41           HB       VAL  41  10.220   7.674   4.202
  142   1HG1  VAL  41          1HG1      VAL  41   9.085   6.744   6.234
  143   2HG1  VAL  41          2HG1      VAL  41  10.002   5.255   6.012
  144   3HG1  VAL  41          3HG1      VAL  41   8.839   5.768   4.788
  145   1HG2  VAL  41          1HG2      VAL  41  12.198   8.292   5.376
  146   2HG2  VAL  41          2HG2      VAL  41  12.259   6.752   6.233
  147   3HG2  VAL  41          3HG2      VAL  41  11.020   7.941   6.639
  148    H    HIS  42           H        HIS  42  10.359   3.687   3.907
  149    HA   HIS  42           HA       HIS  42   8.609   4.176   1.557
  150   1HB   HIS  42          1HB       HIS  42  10.846   2.178   1.744
  151   2HB   HIS  42          2HB       HIS  42   9.419   1.769   0.796
  152    HD1  HIS  42           HD1      HIS  42   9.418   2.566  -1.553
  153    HD2  HIS  42           HD2      HIS  42  12.041   4.780   0.806
  154    HE1  HIS  42           HE1      HIS  42  10.640   4.133  -3.117
  155    H    ASN  43           H        ASN  43   6.751   2.848   1.580
  156    HA   ASN  43           HA       ASN  43   6.170   1.530   4.154
  157   1HB   ASN  43          1HB       ASN  43   4.519   2.016   1.656
  158   2HB   ASN  43          2HB       ASN  43   3.908   1.187   3.086
  159   1HD2  ASN  43          1HD2      ASN  43   2.596   3.522   2.426
  160   2HD2  ASN  43          2HD2      ASN  43   3.029   4.769   3.488
  161    H    VAL  44           H        VAL  44   7.425  -0.374   4.133
  162    HA   VAL  44           HA       VAL  44   7.299  -2.148   1.787
  163    HB   VAL  44           HB       VAL  44   9.393  -1.703   3.211
  164   1HG1  VAL  44          1HG1      VAL  44   8.208  -3.861   4.959
  165   2HG1  VAL  44          2HG1      VAL  44   8.143  -2.152   5.391
  166   3HG1  VAL  44          3HG1      VAL  44   9.701  -2.957   5.208
  167   1HG2  VAL  44          1HG2      VAL  44   9.267  -3.473   1.505
  168   2HG2  VAL  44          2HG2      VAL  44   8.538  -4.561   2.686
  169   3HG2  VAL  44          3HG2      VAL  44  10.198  -4.012   2.902
  170    HA   PRO  45           HA       PRO  45   3.563  -4.188   3.372
  171   1HB   PRO  45          1HB       PRO  45   4.777  -6.532   1.943
  172   2HB   PRO  45          2HB       PRO  45   3.106  -5.937   1.909
  173   1HG   PRO  45          1HG       PRO  45   4.773  -5.452  -0.102
  174   2HG   PRO  45          2HG       PRO  45   3.620  -4.225   0.445
  175   1HD   PRO  45          1HD       PRO  45   6.583  -4.351   0.862
  176   2HD   PRO  45          2HD       PRO  45   5.525  -2.936   0.688
  177    H    LEU  46           H        LEU  46   3.102  -5.374   5.188
  178    HA   LEU  46           HA       LEU  46   5.234  -6.278   6.896
  179   1HB   LEU  46          1HB       LEU  46   2.274  -6.904   6.954
  180   2HB   LEU  46          2HB       LEU  46   3.396  -7.246   8.258
  181    HG   LEU  46           HG       LEU  46   3.285  -4.421   7.254
  182   1HD1  LEU  46          1HD1      LEU  46   1.165  -5.688   8.992
  183   2HD1  LEU  46          2HD1      LEU  46   0.935  -4.984   7.393
  184   3HD1  LEU  46          3HD1      LEU  46   1.366  -3.952   8.758
  185   1HD2  LEU  46          1HD2      LEU  46   4.843  -4.891   9.048
  186   2HD2  LEU  46          2HD2      LEU  46   3.595  -5.723   9.976
  187   3HD2  LEU  46          3HD2      LEU  46   3.497  -3.985   9.730
  188    H    SER  47           H        SER  47   3.207  -7.788   4.490
  189    HA   SER  47           HA       SER  47   3.650 -10.510   5.291
  190   1HB   SER  47          1HB       SER  47   1.837  -9.562   3.729
  191   2HB   SER  47          2HB       SER  47   3.053  -9.673   2.458
  192    HG   SER  47           HG       SER  47   3.223 -11.862   2.838
  193    H    VAL  48           H        VAL  48   5.815  -8.327   3.659
  194    HA   VAL  48           HA       VAL  48   7.417 -10.675   2.688
  195    HB   VAL  48           HB       VAL  48   8.399  -9.259   1.053
  196   1HG1  VAL  48          1HG1      VAL  48   5.439  -8.669   1.266
  197   2HG1  VAL  48          2HG1      VAL  48   6.176 -10.049   0.455
  198   3HG1  VAL  48          3HG1      VAL  48   6.410  -8.423  -0.183
  199   1HG2  VAL  48          1HG2      VAL  48   7.750  -6.821   0.912
  200   2HG2  VAL  48          2HG2      VAL  48   8.784  -7.232   2.279
  201   3HG2  VAL  48          3HG2      VAL  48   7.057  -6.987   2.521
  202    H    LEU  49           H        LEU  49   7.354  -9.365   5.468
  203    HA   LEU  49           HA       LEU  49  10.125  -8.311   5.628
  204   1HB   LEU  49          1HB       LEU  49   7.920  -8.638   7.688
  205   2HB   LEU  49          2HB       LEU  49   9.539  -8.077   8.087
  206    HG   LEU  49           HG       LEU  49   7.662  -6.731   6.118
  207   1HD1  LEU  49          1HD1      LEU  49   8.558  -5.772   8.847
  208   2HD1  LEU  49          2HD1      LEU  49   7.053  -6.653   8.593
  209   3HD1  LEU  49          3HD1      LEU  49   7.297  -5.083   7.825
  210   1HD2  LEU  49          1HD2      LEU  49   9.745  -6.030   5.367
  211   2HD2  LEU  49          2HD2      LEU  49  10.510  -6.250   6.939
  212   3HD2  LEU  49          3HD2      LEU  49   9.490  -4.845   6.644
  213    H    ILE  50           H        ILE  50  11.766  -9.675   6.019
  214    HA   ILE  50           HA       ILE  50  11.216 -12.458   6.832
  215    HB   ILE  50           HB       ILE  50  13.872 -11.141   6.257
  216   1HG1  ILE  50          1HG1      ILE  50  11.866 -12.444   4.403
  217   2HG1  ILE  50          2HG1      ILE  50  12.448 -10.786   4.334
  218   1HG2  ILE  50          1HG2      ILE  50  13.051 -14.030   5.932
  219   2HG2  ILE  50          2HG2      ILE  50  13.774 -13.409   7.416
  220   3HG2  ILE  50          3HG2      ILE  50  14.680 -13.356   5.906
  221   1HD1  ILE  50          1HD1      ILE  50  14.795 -11.791   4.040
  222   2HD1  ILE  50          2HD1      ILE  50  13.692 -11.928   2.673
  223   3HD1  ILE  50          3HD1      ILE  50  13.972 -13.318   3.719
  224    H    ARG  51           H        ARG  51  11.274 -13.041   8.926
  225    HA   ARG  51           HA       ARG  51  13.126 -11.617  10.803
  226   1HB   ARG  51          1HB       ARG  51  10.205 -12.282  11.235
  227   2HB   ARG  51          2HB       ARG  51  11.308 -11.845  12.540
  228   1HG   ARG  51          1HG       ARG  51  11.829  -9.729  11.310
  229   2HG   ARG  51          2HG       ARG  51  10.595 -10.152  10.128
  230   1HD   ARG  51          1HD       ARG  51   8.848  -9.952  11.716
  231   2HD   ARG  51          2HD       ARG  51   9.964 -10.012  13.080
  232    HE   ARG  51           HE       ARG  51   9.336  -7.643  11.471
  233   1HH1  ARG  51          1HH1      ARG  51  11.534  -9.259  13.581
  234   2HH1  ARG  51          2HH1      ARG  51  12.280  -7.799  14.138
  235   1HH2  ARG  51          1HH2      ARG  51  10.299  -5.728  12.186
  236   2HH2  ARG  51          2HH2      ARG  51  11.581  -5.800  13.348
  237    HA   PRO  52           HA       PRO  52  13.554 -16.128  11.553
  238   1HB   PRO  52          1HB       PRO  52  16.142 -16.428  11.038
  239   2HB   PRO  52          2HB       PRO  52  15.029 -16.047   9.706
  240   1HG   PRO  52          1HG       PRO  52  16.901 -14.238  11.187
  241   2HG   PRO  52          2HG       PRO  52  16.542 -14.305   9.456
  242   1HD   PRO  52          1HD       PRO  52  15.333 -12.548  11.357
  243   2HD   PRO  52          2HD       PRO  52  14.776 -12.830   9.693
  244    H    LEU  53           H        LEU  53  13.676 -13.831  13.593
  245    HA   LEU  53           HA       LEU  53  15.418 -15.239  15.556
  246   1HB   LEU  53          1HB       LEU  53  15.962 -12.668  14.355
  247   2HB   LEU  53          2HB       LEU  53  15.632 -12.410  16.062
  248    HG   LEU  53           HG       LEU  53  17.341 -14.129  16.631
  249   1HD1  LEU  53          1HD1      LEU  53  18.940 -14.573  14.524
  250   2HD1  LEU  53          2HD1      LEU  53  17.427 -14.383  13.641
  251   3HD1  LEU  53          3HD1      LEU  53  17.578 -15.630  14.878
  252   1HD2  LEU  53          1HD2      LEU  53  17.803 -11.574  16.175
  253   2HD2  LEU  53          2HD2      LEU  53  18.666 -12.174  14.759
  254   3HD2  LEU  53          3HD2      LEU  53  19.164 -12.679  16.371
  255    HA   PRO  54           HA       PRO  54  11.657 -14.563  17.922
  256   1HB   PRO  54          1HB       PRO  54  12.488 -15.406  20.370
  257   2HB   PRO  54          2HB       PRO  54  12.241 -16.532  19.021
  258   1HG   PRO  54          1HG       PRO  54  14.786 -15.311  20.026
  259   2HG   PRO  54          2HG       PRO  54  14.450 -16.995  19.589
  260   1HD   PRO  54          1HD       PRO  54  15.704 -15.247  17.887
  261   2HD   PRO  54          2HD       PRO  54  14.678 -16.578  17.307
  262    H    SER  55           H        SER  55  10.920 -13.288  19.900
  263    HA   SER  55           HA       SER  55  12.825 -11.299  20.949
  264   1HB   SER  55          1HB       SER  55  10.494 -10.548  19.173
  265   2HB   SER  55          2HB       SER  55  11.293  -9.403  20.247
  266    HG   SER  55           HG       SER  55  13.218 -10.591  18.981
  267    H    VAL  56           H        VAL  56  11.837 -10.002  22.664
  268    HA   VAL  56           HA       VAL  56   9.526 -11.399  23.958
  269    HB   VAL  56           HB       VAL  56  11.882 -11.258  25.095
  270   1HG1  VAL  56          1HG1      VAL  56  10.828  -8.554  25.948
  271   2HG1  VAL  56          2HG1      VAL  56  12.024  -8.730  24.665
  272   3HG1  VAL  56          3HG1      VAL  56  12.401  -9.268  26.299
  273   1HG2  VAL  56          1HG2      VAL  56   9.982 -12.099  26.299
  274   2HG2  VAL  56          2HG2      VAL  56   9.288 -10.485  26.450
  275   3HG2  VAL  56          3HG2      VAL  56  10.754 -10.901  27.338
  276    H    LEU  57           H        LEU  57   7.656 -10.274  23.882
  277    HA   LEU  57           HA       LEU  57   7.770  -7.321  23.430
  278   1HB   LEU  57          1HB       LEU  57   5.421  -9.192  23.138
  279   2HB   LEU  57          2HB       LEU  57   5.496  -7.511  22.630
  280    HG   LEU  57           HG       LEU  57   7.242  -9.741  21.540
  281   1HD1  LEU  57          1HD1      LEU  57   4.784  -8.322  20.484
  282   2HD1  LEU  57          2HD1      LEU  57   5.023 -10.056  20.702
  283   3HD1  LEU  57          3HD1      LEU  57   5.894  -9.200  19.430
  284   1HD2  LEU  57          1HD2      LEU  57   8.535  -7.813  21.278
  285   2HD2  LEU  57          2HD2      LEU  57   7.128  -6.761  21.120
  286   3HD2  LEU  57          3HD2      LEU  57   7.607  -7.805  19.780
  287    H    ASP  58           H        ASP  58   6.653  -5.928  24.693
  288    HA   ASP  58           HA       ASP  58   5.655  -6.951  27.316
  289   1HB   ASP  58          1HB       ASP  58   7.571  -5.548  27.623
  290   2HB   ASP  58          2HB       ASP  58   6.963  -4.341  26.507
  291    HA   PRO  59           HA       PRO  59   1.723  -5.398  25.812
  292   1HB   PRO  59          1HB       PRO  59   0.271  -5.386  28.119
  293   2HB   PRO  59          2HB       PRO  59   0.753  -6.886  27.302
  294   1HG   PRO  59          1HG       PRO  59   2.002  -5.532  29.663
  295   2HG   PRO  59          2HG       PRO  59   1.658  -7.244  29.407
  296   1HD   PRO  59          1HD       PRO  59   4.154  -6.161  29.026
  297   2HD   PRO  59          2HD       PRO  59   3.569  -7.576  28.126
  298    H    ALA  60           H        ALA  60   3.451  -3.704  28.339
  299    HA   ALA  60           HA       ALA  60   1.659  -1.404  28.362
  300   1HB   ALA  60          1HB       ALA  60   3.201  -2.155  30.265
  301   2HB   ALA  60          2HB       ALA  60   3.198  -0.431  29.895
  302   3HB   ALA  60          3HB       ALA  60   4.521  -1.452  29.330
  303    H    LYS  61           H        LYS  61   4.782  -2.171  26.814
  304    HA   LYS  61           HA       LYS  61   5.027   0.490  25.688
  305   1HB   LYS  61          1HB       LYS  61   6.745  -1.685  26.075
  306   2HB   LYS  61          2HB       LYS  61   6.570  -1.622  24.331
  307   1HG   LYS  61          1HG       LYS  61   7.134   0.828  24.431
  308   2HG   LYS  61          2HG       LYS  61   7.456   0.622  26.153
  309   1HD   LYS  61          1HD       LYS  61   8.842  -0.925  23.939
  310   2HD   LYS  61          2HD       LYS  61   9.528   0.477  24.757
  311   1HE   LYS  61          1HE       LYS  61   9.055  -0.893  26.947
  312   2HE   LYS  61          2HE       LYS  61   8.991  -2.276  25.853
  313   1HZ   LYS  61          1HZ       LYS  61  11.248  -0.927  26.838
  314   2HZ   LYS  61          2HZ       LYS  61  11.208  -0.747  25.149
  315   3HZ   LYS  61          3HZ       LYS  61  11.187  -2.298  25.842
  316    H    VAL  62           H        VAL  62   3.665  -2.581  24.583
  317    HA   VAL  62           HA       VAL  62   3.429  -1.791  21.813
  318    HB   VAL  62           HB       VAL  62   1.905  -3.849  23.442
  319   1HG1  VAL  62          1HG1      VAL  62   1.881  -3.173  20.493
  320   2HG1  VAL  62          2HG1      VAL  62   0.504  -3.310  21.586
  321   3HG1  VAL  62          3HG1      VAL  62   1.389  -4.756  21.097
  322   1HG2  VAL  62          1HG2      VAL  62   3.403  -5.446  22.470
  323   2HG2  VAL  62          2HG2      VAL  62   4.413  -4.127  23.059
  324   3HG2  VAL  62          3HG2      VAL  62   4.046  -4.254  21.340
  325    H    GLN  63           H        GLN  63   1.314  -1.505  24.649
  326    HA   GLN  63           HA       GLN  63  -0.965  -0.510  23.188
  327   1HB   GLN  63          1HB       GLN  63  -0.102  -0.511  26.070
  328   2HB   GLN  63          2HB       GLN  63  -1.435   0.541  25.596
  329   1HG   GLN  63          1HG       GLN  63  -1.395  -2.386  24.834
  330   2HG   GLN  63          2HG       GLN  63  -2.032  -1.847  26.387
  331   1HE2  GLN  63          1HE2      GLN  63  -4.073  -2.867  25.200
  332   2HE2  GLN  63          2HE2      GLN  63  -5.018  -1.775  24.306
  333    H    SER  64           H        SER  64   1.839   1.035  24.707
  334    HA   SER  64           HA       SER  64   0.966   3.740  24.360
  335   1HB   SER  64          1HB       SER  64   2.938   2.910  25.760
  336   2HB   SER  64          2HB       SER  64   3.840   2.801  24.249
  337    HG   SER  64           HG       SER  64   2.596   5.110  25.324
  338    H    LEU  65           H        LEU  65   2.693   1.485  22.234
  339    HA   LEU  65           HA       LEU  65   3.123   3.488  20.167
  340   1HB   LEU  65          1HB       LEU  65   3.597   0.555  20.523
  341   2HB   LEU  65          2HB       LEU  65   3.498   1.141  18.871
  342    HG   LEU  65           HG       LEU  65   5.250   2.584  20.863
  343   1HD1  LEU  65          1HD1      LEU  65   6.070   0.371  21.128
  344   2HD1  LEU  65          2HD1      LEU  65   7.136   1.107  19.931
  345   3HD1  LEU  65          3HD1      LEU  65   5.860   0.003  19.417
  346   1HD2  LEU  65          1HD2      LEU  65   4.918   3.657  18.703
  347   2HD2  LEU  65          2HD2      LEU  65   5.324   2.165  17.857
  348   3HD2  LEU  65          3HD2      LEU  65   6.562   3.025  18.769
  349    H    VAL  66           H        VAL  66   0.902   0.723  20.605
  350    HA   VAL  66           HA       VAL  66  -0.530   0.961  18.189
  351    HB   VAL  66           HB       VAL  66  -1.322   0.080  20.971
  352   1HG1  VAL  66          1HG1      VAL  66  -3.352  -0.933  19.802
  353   2HG1  VAL  66          2HG1      VAL  66  -3.013   0.173  18.472
  354   3HG1  VAL  66          3HG1      VAL  66  -3.401   0.809  20.070
  355   1HG2  VAL  66          1HG2      VAL  66   0.268  -1.294  19.608
  356   2HG2  VAL  66          2HG2      VAL  66  -0.989  -1.454  18.380
  357   3HG2  VAL  66          3HG2      VAL  66  -1.233  -2.139  19.987
  358    H    ASP  67           H        ASP  67  -0.689   2.853  21.152
  359    HA   ASP  67           HA       ASP  67  -3.107   4.288  20.408
  360   1HB   ASP  67          1HB       ASP  67  -0.981   4.640  22.524
  361   2HB   ASP  67          2HB       ASP  67  -2.245   5.841  22.291
  362    H    THR  68           H        THR  68   0.400   4.936  20.202
  363    HA   THR  68           HA       THR  68   0.146   7.636  19.274
  364    HB   THR  68           HB       THR  68   2.394   5.782  18.460
  365    HG1  THR  68           HG1      THR  68   2.090   7.076  20.962
  366   1HG2  THR  68          1HG2      THR  68   2.505   8.635  19.440
  367   2HG2  THR  68          2HG2      THR  68   2.202   8.246  17.748
  368   3HG2  THR  68          3HG2      THR  68   3.714   7.753  18.507
  369    H    ILE  69           H        ILE  69   0.636   4.570  17.481
  370    HA   ILE  69           HA       ILE  69   0.531   5.655  14.876
  371    HB   ILE  69           HB       ILE  69  -0.538   2.976  15.817
  372   1HG1  ILE  69          1HG1      ILE  69   2.221   3.910  14.974
  373   2HG1  ILE  69          2HG1      ILE  69   1.761   3.249  16.534
  374   1HG2  ILE  69          1HG2      ILE  69  -1.189   3.707  13.475
  375   2HG2  ILE  69          2HG2      ILE  69  -0.206   2.251  13.522
  376   3HG2  ILE  69          3HG2      ILE  69   0.529   3.794  13.093
  377   1HD1  ILE  69          1HD1      ILE  69   1.856   1.773  13.896
  378   2HD1  ILE  69          2HD1      ILE  69   1.140   1.107  15.361
  379   3HD1  ILE  69          3HD1      ILE  69   2.858   1.490  15.317
  380    H    ARG  70           H        ARG  70  -2.098   4.609  17.026
  381    HA   ARG  70           HA       ARG  70  -4.179   5.253  15.088
  382   1HB   ARG  70          1HB       ARG  70  -4.048   4.253  17.899
  383   2HB   ARG  70          2HB       ARG  70  -5.537   5.057  17.436
  384   1HG   ARG  70          1HG       ARG  70  -5.804   3.524  15.540
  385   2HG   ARG  70          2HG       ARG  70  -4.268   2.751  15.928
  386   1HD   ARG  70          1HD       ARG  70  -5.148   2.015  18.089
  387   2HD   ARG  70          2HD       ARG  70  -6.663   2.866  17.787
  388    HE   ARG  70           HE       ARG  70  -6.291   1.090  15.627
  389   1HH1  ARG  70          1HH1      ARG  70  -6.681   1.042  19.052
  390   2HH1  ARG  70          2HH1      ARG  70  -7.465  -0.502  19.075
  391   1HH2  ARG  70          1HH2      ARG  70  -7.312  -0.927  15.637
  392   2HH2  ARG  70          2HH2      ARG  70  -7.822  -1.617  17.141
  393    H    GLU  71           H        GLU  71  -2.471   7.060  17.541
  394    HA   GLU  71           HA       GLU  71  -4.511   9.222  17.506
  395   1HB   GLU  71          1HB       GLU  71  -2.060   8.698  19.210
  396   2HB   GLU  71          2HB       GLU  71  -2.866  10.251  19.204
  397   1HG   GLU  71          1HG       GLU  71  -4.372   7.679  19.689
  398   2HG   GLU  71          2HG       GLU  71  -3.633   8.599  20.999
  399    H    ASP  72           H        ASP  72  -1.230   8.529  16.431
  400    HA   ASP  72           HA       ASP  72  -1.333  10.767  14.573
  401   1HB   ASP  72          1HB       ASP  72  -0.729  11.932  16.646
  402   2HB   ASP  72          2HB       ASP  72   0.638  10.842  16.864
  403    HA   PRO  73           HA       PRO  73   1.309   7.160  13.301
  404   1HB   PRO  73          1HB       PRO  73   0.805   7.392  10.591
  405   2HB   PRO  73          2HB       PRO  73  -0.200   6.463  11.718
  406   1HG   PRO  73          1HG       PRO  73  -0.610   9.220  10.642
  407   2HG   PRO  73          2HG       PRO  73  -1.789   7.924  10.893
  408   1HD   PRO  73          1HD       PRO  73  -1.561  10.000  12.605
  409   2HD   PRO  73          2HD       PRO  73  -1.999   8.381  13.171
  410    H    ASP  74           H        ASP  74   1.481  10.526  12.498
  411    HA   ASP  74           HA       ASP  74   3.933  10.261  10.904
  412   1HB   ASP  74          1HB       ASP  74   2.390  12.626  11.985
  413   2HB   ASP  74          2HB       ASP  74   3.929  12.808  11.145
  414    H    SER  75           H        SER  75   3.107  10.743  14.267
  415    HA   SER  75           HA       SER  75   5.765  11.740  15.005
  416   1HB   SER  75          1HB       SER  75   4.763  11.197  17.374
  417   2HB   SER  75          2HB       SER  75   4.097  12.539  16.443
  418    HG   SER  75           HG       SER  75   2.914  10.257  17.248
  419    H    VAL  76           H        VAL  76   5.307   8.961  13.708
  420    HA   VAL  76           HA       VAL  76   6.723   7.351  15.811
  421    HB   VAL  76           HB       VAL  76   5.120   6.112  13.577
  422   1HG1  VAL  76          1HG1      VAL  76   5.453   5.111  16.409
  423   2HG1  VAL  76          2HG1      VAL  76   6.748   4.882  15.229
  424   3HG1  VAL  76          3HG1      VAL  76   5.151   4.192  14.934
  425   1HG2  VAL  76          1HG2      VAL  76   3.246   5.991  15.321
  426   2HG2  VAL  76          2HG2      VAL  76   3.497   7.556  14.548
  427   3HG2  VAL  76          3HG2      VAL  76   4.106   7.270  16.179
  428    HA   PRO  77           HA       PRO  77   9.833   8.062  12.462
  429   1HB   PRO  77          1HB       PRO  77  11.432   6.543  14.501
  430   2HB   PRO  77          2HB       PRO  77  11.866   8.003  13.594
  431   1HG   PRO  77          1HG       PRO  77  11.148   8.140  16.153
  432   2HG   PRO  77          2HG       PRO  77  10.654   9.388  14.996
  433   1HD   PRO  77          1HD       PRO  77   9.024   7.166  16.199
  434   2HD   PRO  77          2HD       PRO  77   8.531   8.816  15.751
  435    HA   PRO  78           HA       PRO  78   9.689   3.969  10.633
  436   1HB   PRO  78          1HB       PRO  78  11.755   4.093   8.872
  437   2HB   PRO  78          2HB       PRO  78  10.278   5.047   8.660
  438   1HG   PRO  78          1HG       PRO  78  12.924   5.876   9.793
  439   2HG   PRO  78          2HG       PRO  78  11.892   6.725   8.632
  440   1HD   PRO  78          1HD       PRO  78  11.935   7.342  11.304
  441   2HD   PRO  78          2HD       PRO  78  10.489   7.555  10.294
  442    H    ILE  79           H        ILE  79  11.144   2.016  10.208
  443    HA   ILE  79           HA       ILE  79  13.108   1.725  12.457
  444    HB   ILE  79           HB       ILE  79  12.754  -0.760  11.976
  445   1HG1  ILE  79          1HG1      ILE  79  10.281   0.229  10.540
  446   2HG1  ILE  79          2HG1      ILE  79  11.750  -0.214   9.671
  447   1HG2  ILE  79          1HG2      ILE  79  10.585   1.083  12.982
  448   2HG2  ILE  79          2HG2      ILE  79  11.706   0.090  13.914
  449   3HG2  ILE  79          3HG2      ILE  79  10.386  -0.668  13.024
  450   1HD1  ILE  79          1HD1      ILE  79  11.682  -2.450  10.758
  451   2HD1  ILE  79          2HD1      ILE  79  10.256  -2.140   9.767
  452   3HD1  ILE  79          3HD1      ILE  79  10.157  -2.004  11.522
  453    H    ASP  80           H        ASP  80  14.986   0.246  11.940
  454    HA   ASP  80           HA       ASP  80  16.150   1.038   9.342
  455   1HB   ASP  80          1HB       ASP  80  17.188  -0.196  11.895
  456   2HB   ASP  80          2HB       ASP  80  18.152  -0.257  10.427
  457    H    VAL  81           H        VAL  81  16.270  -0.366   7.638
  458    HA   VAL  81           HA       VAL  81  15.951  -3.300   8.139
  459    HB   VAL  81           HB       VAL  81  14.328  -1.548   6.274
  460   1HG1  VAL  81          1HG1      VAL  81  14.983  -3.427   4.912
  461   2HG1  VAL  81          2HG1      VAL  81  13.338  -3.729   5.468
  462   3HG1  VAL  81          3HG1      VAL  81  14.690  -4.555   6.236
  463   1HG2  VAL  81          1HG2      VAL  81  13.699  -3.492   8.510
  464   2HG2  VAL  81          2HG2      VAL  81  12.471  -2.860   7.414
  465   3HG2  VAL  81          3HG2      VAL  81  13.367  -1.761   8.462
  466    H    LEU  82           H        LEU  82  17.172  -4.569   6.808
  467    HA   LEU  82           HA       LEU  82  19.146  -3.173   5.086
  468   1HB   LEU  82          1HB       LEU  82  19.040  -6.142   5.674
  469   2HB   LEU  82          2HB       LEU  82  20.419  -5.204   5.125
  470    HG   LEU  82           HG       LEU  82  19.077  -4.648   7.782
  471   1HD1  LEU  82          1HD1      LEU  82  20.896  -5.981   8.796
  472   2HD1  LEU  82          2HD1      LEU  82  21.416  -6.474   7.183
  473   3HD1  LEU  82          3HD1      LEU  82  19.836  -6.969   7.792
  474   1HD2  LEU  82          1HD2      LEU  82  20.495  -2.849   6.972
  475   2HD2  LEU  82          2HD2      LEU  82  21.778  -3.989   6.568
  476   3HD2  LEU  82          3HD2      LEU  82  21.359  -3.694   8.255
  477    H    TRP  83           H        TRP  83  19.120  -3.249   2.914
  478    HA   TRP  83           HA       TRP  83  17.004  -4.869   1.552
  479   1HB   TRP  83          1HB       TRP  83  16.869  -2.411   1.336
  480   2HB   TRP  83          2HB       TRP  83  18.510  -2.372   0.734
  481    HD1  TRP  83           HD1      TRP  83  16.567  -5.249  -0.721
  482    HE1  TRP  83           HE1      TRP  83  15.909  -4.661  -3.152
  483    HE3  TRP  83           HE3      TRP  83  17.718  -0.293  -0.757
  484    HZ2  TRP  83           HZ2      TRP  83  15.892  -2.368  -4.878
  485    HZ3  TRP  83           HZ3      TRP  83  17.387   1.076  -2.801
  486    HH2  TRP  83           HH2      TRP  83  16.484   0.038  -4.859
  487    H    ILE  84           H        ILE  84  17.909  -6.722   0.695
  488    HA   ILE  84           HA       ILE  84  20.566  -6.491  -0.690
  489    HB   ILE  84           HB       ILE  84  19.681  -8.903   0.912
  490   1HG1  ILE  84          1HG1      ILE  84  21.419  -6.550   1.718
  491   2HG1  ILE  84          2HG1      ILE  84  19.924  -7.073   2.489
  492   1HG2  ILE  84          1HG2      ILE  84  22.450  -8.053   0.038
  493   2HG2  ILE  84          2HG2      ILE  84  21.418  -9.079  -0.960
  494   3HG2  ILE  84          3HG2      ILE  84  21.941  -9.635   0.629
  495   1HD1  ILE  84          1HD1      ILE  84  22.607  -8.458   2.488
  496   2HD1  ILE  84          2HD1      ILE  84  21.122  -9.315   2.898
  497   3HD1  ILE  84          3HD1      ILE  84  21.645  -7.941   3.872
  498    H    LYS  85           H        LYS  85  20.762  -7.719  -2.577
  499    HA   LYS  85           HA       LYS  85  18.210  -8.912  -3.609
  500   1HB   LYS  85          1HB       LYS  85  20.478  -7.400  -4.879
  501   2HB   LYS  85          2HB       LYS  85  19.574  -8.548  -5.865
  502   1HG   LYS  85          1HG       LYS  85  17.491  -7.411  -5.331
  503   2HG   LYS  85          2HG       LYS  85  18.352  -6.312  -4.256
  504   1HD   LYS  85          1HD       LYS  85  19.423  -5.193  -6.017
  505   2HD   LYS  85          2HD       LYS  85  19.180  -6.532  -7.135
  506   1HE   LYS  85          1HE       LYS  85  17.651  -4.805  -7.785
  507   2HE   LYS  85          2HE       LYS  85  16.686  -6.051  -7.002
  508   1HZ   LYS  85          1HZ       LYS  85  17.320  -4.562  -4.913
  509   2HZ   LYS  85          2HZ       LYS  85  15.936  -4.282  -5.860
  510   3HZ   LYS  85          3HZ       LYS  85  17.345  -3.364  -6.113
  511    H    GLY  86           H        GLY  86  18.365 -10.796  -4.921
  512   1HA   GLY  86          1HA       GLY  86  20.479 -12.659  -4.027
  513   2HA   GLY  86          2HA       GLY  86  18.969 -13.115  -4.786
  514    H    ALA  87           H        ALA  87  20.765 -14.413  -5.963
  515    HA   ALA  87           HA       ALA  87  22.444 -13.114  -7.886
  516   1HB   ALA  87          1HB       ALA  87  23.078 -15.308  -7.348
  517   2HB   ALA  87          2HB       ALA  87  22.356 -15.506  -8.945
  518   3HB   ALA  87          3HB       ALA  87  21.434 -15.925  -7.498
  519    H    GLN  88           H        GLN  88  19.070 -13.396  -7.854
  520    HA   GLN  88           HA       GLN  88  18.948 -13.024 -10.831
  521   1HB   GLN  88          1HB       GLN  88  16.852 -14.362  -9.102
  522   2HB   GLN  88          2HB       GLN  88  16.839 -14.211 -10.861
  523   1HG   GLN  88          1HG       GLN  88  18.926 -15.535 -10.979
  524   2HG   GLN  88          2HG       GLN  88  18.908 -15.708  -9.226
  525   1HE2  GLN  88          1HE2      GLN  88  18.832 -18.132 -10.012
  526   2HE2  GLN  88          2HE2      GLN  88  17.284 -18.790 -10.222
  527    H    GLY  89           H        GLY  89  19.033 -11.058  -8.498
  528   1HA   GLY  89          1HA       GLY  89  18.124  -8.876  -8.363
  529   2HA   GLY  89          2HA       GLY  89  16.913  -9.334  -9.548
  530    H    GLY  90           H        GLY  90  16.478 -11.773  -7.561
  531   1HA   GLY  90          1HA       GLY  90  14.079 -10.942  -6.435
  532   2HA   GLY  90          2HA       GLY  90  15.057 -12.231  -5.755
  533    H    ASP  91           H        ASP  91  13.869  -9.131  -5.252
  534    HA   ASP  91           HA       ASP  91  15.952  -8.197  -3.442
  535   1HB   ASP  91          1HB       ASP  91  13.203  -7.241  -4.224
  536   2HB   ASP  91          2HB       ASP  91  13.969  -6.574  -2.790
  537    H    TYR  92           H        TYR  92  16.044  -8.501  -1.273
  538    HA   TYR  92           HA       TYR  92  13.769  -9.903   0.093
  539   1HB   TYR  92          1HB       TYR  92  16.740 -10.473   0.368
  540   2HB   TYR  92          2HB       TYR  92  15.470 -11.220   1.336
  541    HD1  TYR  92           HD1      TYR  92  17.120 -11.129  -1.938
  542    HD2  TYR  92           HD2      TYR  92  13.802 -12.736   0.269
  543    HE1  TYR  92           HE1      TYR  92  16.752 -12.807  -3.708
  544    HE2  TYR  92           HE2      TYR  92  13.437 -14.419  -1.510
  545    HH   TYR  92           HH       TYR  92  15.727 -14.923  -4.058
  546    H    PHE  93           H        PHE  93  13.151  -8.837   1.935
  547    HA   PHE  93           HA       PHE  93  14.910  -6.646   2.930
  548   1HB   PHE  93          1HB       PHE  93  11.946  -7.118   3.394
  549   2HB   PHE  93          2HB       PHE  93  12.866  -5.695   3.851
  550    HD1  PHE  93           HD1      PHE  93  11.031  -7.318   1.209
  551    HD2  PHE  93           HD2      PHE  93  14.004  -4.312   2.002
  552    HE1  PHE  93           HE1      PHE  93  10.674  -6.366  -1.048
  553    HE2  PHE  93           HE2      PHE  93  13.640  -3.368  -0.256
  554    HZ   PHE  93           HZ       PHE  93  11.978  -4.391  -1.781
  555    H    TYR  94           H        TYR  94  16.009  -7.059   4.722
  556    HA   TYR  94           HA       TYR  94  15.043  -9.164   6.617
  557   1HB   TYR  94          1HB       TYR  94  17.713  -8.125   5.759
  558   2HB   TYR  94          2HB       TYR  94  17.576  -8.576   7.457
  559    HD1  TYR  94           HD1      TYR  94  17.100 -10.842   8.137
  560    HD2  TYR  94           HD2      TYR  94  17.491  -9.799   3.994
  561    HE1  TYR  94           HE1      TYR  94  17.285 -13.244   7.545
  562    HE2  TYR  94           HE2      TYR  94  17.679 -12.197   3.404
  563    HH   TYR  94           HH       TYR  94  17.094 -14.719   5.751
  564    H    SER  95           H        SER  95  14.353  -8.552   8.604
  565    HA   SER  95           HA       SER  95  14.854  -5.724   9.499
  566   1HB   SER  95          1HB       SER  95  12.393  -7.294   9.269
  567   2HB   SER  95          2HB       SER  95  12.608  -6.660  10.898
  568    HG   SER  95           HG       SER  95  12.466  -4.685  10.202
  569    H    PHE  96           H        PHE  96  16.152  -5.661  11.253
  570    HA   PHE  96           HA       PHE  96  16.060  -7.928  13.225
  571   1HB   PHE  96          1HB       PHE  96  18.411  -6.267  12.283
  572   2HB   PHE  96          2HB       PHE  96  18.429  -7.255  13.742
  573    HD1  PHE  96           HD1      PHE  96  17.567  -9.758  13.403
  574    HD2  PHE  96           HD2      PHE  96  19.116  -7.257  10.286
  575    HE1  PHE  96           HE1      PHE  96  18.119 -11.768  12.058
  576    HE2  PHE  96           HE2      PHE  96  19.676  -9.257   8.951
  577    HZ   PHE  96           HZ       PHE  96  19.176 -11.516   9.835
  578    H    GLY  97           H        GLY  97  14.455  -6.649  14.307
  579   1HA   GLY  97          1HA       GLY  97  14.812  -5.330  16.546
  580   2HA   GLY  97          2HA       GLY  97  15.333  -4.041  15.457
  581    H    GLY  98           H        GLY  98  13.529  -2.708  16.104
  582   1HA   GLY  98          1HA       GLY  98  11.285  -1.976  16.068
  583   2HA   GLY  98          2HA       GLY  98  11.316  -2.655  14.443
  584    H    CYS  99           H        CYS  99  11.897  -4.924  16.949
  585    HA   CYS  99           HA       CYS  99   9.813  -6.654  16.274
  586   1HB   CYS  99          1HB       CYS  99  10.792  -6.360  19.116
  587   2HB   CYS  99          2HB       CYS  99  10.292  -7.826  18.276
  588    HG   CYS  99           HG       CYS  99  13.052  -7.203  18.420
  589    H    HIS 100           H        HIS 100   9.795  -4.224  18.902
  590    HA   HIS 100           HA       HIS 100   7.062  -4.737  19.639
  591   1HB   HIS 100          1HB       HIS 100   8.985  -2.471  20.154
  592   2HB   HIS 100          2HB       HIS 100   7.305  -2.357  20.675
  593    HD1  HIS 100           HD1      HIS 100  10.315  -4.656  21.087
  594    HD2  HIS 100           HD2      HIS 100   6.755  -3.707  23.038
  595    HE1  HIS 100           HE1      HIS 100  10.345  -5.915  23.286
  596    H    ARG 101           H        ARG 101   8.465  -2.003  17.763
  597    HA   ARG 101           HA       ARG 101   6.005  -0.811  17.086
  598   1HB   ARG 101          1HB       ARG 101   8.575  -0.960  15.486
  599   2HB   ARG 101          2HB       ARG 101   7.203   0.051  15.041
  600   1HG   ARG 101          1HG       ARG 101   7.340   1.086  17.350
  601   2HG   ARG 101          2HG       ARG 101   8.844   0.201  17.589
  602   1HD   ARG 101          1HD       ARG 101   8.468   1.987  15.184
  603   2HD   ARG 101          2HD       ARG 101   8.988   2.646  16.733
  604    HE   ARG 101           HE       ARG 101  10.562   0.345  15.824
  605   1HH1  ARG 101          1HH1      ARG 101  10.092   3.762  15.833
  606   2HH1  ARG 101          2HH1      ARG 101  11.754   4.125  15.507
  607   1HH2  ARG 101          1HH2      ARG 101  12.737   0.803  15.401
  608   2HH2  ARG 101          2HH2      ARG 101  13.250   2.451  15.263
  609    H    TYR 102           H        TYR 102   7.533  -3.691  15.760
  610    HA   TYR 102           HA       TYR 102   5.860  -3.908  13.429
  611   1HB   TYR 102          1HB       TYR 102   7.868  -5.232  13.517
  612   2HB   TYR 102          2HB       TYR 102   7.401  -5.952  15.054
  613    HD1  TYR 102           HD1      TYR 102   6.983  -6.082  11.417
  614    HD2  TYR 102           HD2      TYR 102   5.529  -7.542  15.180
  615    HE1  TYR 102           HE1      TYR 102   5.825  -7.941  10.251
  616    HE2  TYR 102           HE2      TYR 102   4.363  -9.389  14.021
  617    HH   TYR 102           HH       TYR 102   5.033 -10.352  10.968
  618    H    ALA 103           H        ALA 103   5.600  -5.180  16.746
  619    HA   ALA 103           HA       ALA 103   3.182  -6.649  16.408
  620   1HB   ALA 103          1HB       ALA 103   4.402  -6.973  18.436
  621   2HB   ALA 103          2HB       ALA 103   2.898  -6.180  18.907
  622   3HB   ALA 103          3HB       ALA 103   4.391  -5.247  18.799
  623    H    ALA 104           H        ALA 104   3.701  -3.248  17.383
  624    HA   ALA 104           HA       ALA 104   0.976  -2.587  17.782
  625   1HB   ALA 104          1HB       ALA 104   2.659  -1.014  18.469
  626   2HB   ALA 104          2HB       ALA 104   1.723  -0.229  17.197
  627   3HB   ALA 104          3HB       ALA 104   3.310  -0.907  16.833
  628    H    TYR 105           H        TYR 105   2.937  -2.462  14.801
  629    HA   TYR 105           HA       TYR 105   0.778  -1.478  13.161
  630   1HB   TYR 105          1HB       TYR 105   3.525  -2.583  12.751
  631   2HB   TYR 105          2HB       TYR 105   2.433  -2.718  11.382
  632    HD1  TYR 105           HD1      TYR 105   1.604  -0.750  10.218
  633    HD2  TYR 105           HD2      TYR 105   4.212  -0.385  13.609
  634    HE1  TYR 105           HE1      TYR 105   2.008   1.630   9.650
  635    HE2  TYR 105           HE2      TYR 105   4.620   1.993  13.040
  636    HH   TYR 105           HH       TYR 105   3.800   3.752  11.801
  637    H    GLN 106           H        GLN 106   2.074  -4.731  13.835
  638    HA   GLN 106           HA       GLN 106   0.408  -6.167  12.052
  639   1HB   GLN 106          1HB       GLN 106   2.389  -7.084  13.304
  640   2HB   GLN 106          2HB       GLN 106   1.401  -7.089  14.763
  641   1HG   GLN 106          1HG       GLN 106   0.480  -8.476  12.248
  642   2HG   GLN 106          2HG       GLN 106   1.543  -9.288  13.390
  643   1HE2  GLN 106          1HE2      GLN 106   0.654  -9.619  15.651
  644   2HE2  GLN 106          2HE2      GLN 106  -1.023  -9.608  15.891
  645    H    GLN 107           H        GLN 107  -0.048  -5.453  15.523
  646    HA   GLN 107           HA       GLN 107  -2.552  -6.657  15.879
  647   1HB   GLN 107          1HB       GLN 107  -1.086  -5.621  17.646
  648   2HB   GLN 107          2HB       GLN 107  -1.652  -4.041  17.113
  649   1HG   GLN 107          1HG       GLN 107  -3.648  -6.186  17.849
  650   2HG   GLN 107          2HG       GLN 107  -2.864  -5.238  19.103
  651   1HE2  GLN 107          1HE2      GLN 107  -5.516  -4.797  19.051
  652   2HE2  GLN 107          2HE2      GLN 107  -5.913  -3.343  18.270
  653    H    LEU 108           H        LEU 108  -1.807  -3.376  14.680
  654    HA   LEU 108           HA       LEU 108  -4.604  -2.653  14.405
  655   1HB   LEU 108          1HB       LEU 108  -2.094  -1.461  13.199
  656   2HB   LEU 108          2HB       LEU 108  -3.692  -0.728  13.087
  657    HG   LEU 108           HG       LEU 108  -2.380  -1.447  15.728
  658   1HD1  LEU 108          1HD1      LEU 108  -2.477   1.295  14.444
  659   2HD1  LEU 108          2HD1      LEU 108  -1.059   0.247  14.395
  660   3HD1  LEU 108          3HD1      LEU 108  -1.662   0.842  15.943
  661   1HD2  LEU 108          1HD2      LEU 108  -4.659  -1.166  16.167
  662   2HD2  LEU 108          2HD2      LEU 108  -4.866   0.046  14.904
  663   3HD2  LEU 108          3HD2      LEU 108  -4.059   0.470  16.410
  664    H    GLN 109           H        GLN 109  -3.147  -5.054  12.931
  665    HA   GLN 109           HA       GLN 109  -3.298  -6.086  10.820
  666   1HB   GLN 109          1HB       GLN 109  -5.974  -4.684  10.704
  667   2HB   GLN 109          2HB       GLN 109  -5.539  -6.250  10.019
  668   1HG   GLN 109          1HG       GLN 109  -5.670  -5.574  12.975
  669   2HG   GLN 109          2HG       GLN 109  -6.833  -6.558  12.086
  670   1HE2  GLN 109          1HE2      GLN 109  -5.153  -7.469  14.351
  671   2HE2  GLN 109          2HE2      GLN 109  -4.181  -8.725  13.751
  672    H    ARG 110           H        ARG 110  -2.158  -3.309  10.825
  673    HA   ARG 110           HA       ARG 110  -3.144  -1.867   8.557
  674   1HB   ARG 110          1HB       ARG 110  -0.446  -1.971   9.924
  675   2HB   ARG 110          2HB       ARG 110  -0.763  -0.898   8.566
  676   1HG   ARG 110          1HG       ARG 110  -2.638  -0.874  10.936
  677   2HG   ARG 110          2HG       ARG 110  -1.097  -0.031  11.049
  678   1HD   ARG 110          1HD       ARG 110  -1.627   1.345   9.127
  679   2HD   ARG 110          2HD       ARG 110  -3.094   0.423   8.813
  680    HE   ARG 110           HE       ARG 110  -4.166   1.593  10.574
  681   1HH1  ARG 110          1HH1      ARG 110  -0.749   2.066  10.537
  682   2HH1  ARG 110          2HH1      ARG 110  -0.780   3.337  11.713
  683   1HH2  ARG 110          1HH2      ARG 110  -4.224   3.249  12.109
  684   2HH2  ARG 110          2HH2      ARG 110  -2.747   4.007  12.603
  685    H    GLU 111           H        GLU 111  -2.181  -1.781   6.422
  686    HA   GLU 111           HA       GLU 111  -1.542  -4.454   5.430
  687   1HB   GLU 111          1HB       GLU 111  -2.000  -1.762   4.154
  688   2HB   GLU 111          2HB       GLU 111  -1.327  -3.086   3.203
  689   1HG   GLU 111          1HG       GLU 111  -3.850  -3.415   4.839
  690   2HG   GLU 111          2HG       GLU 111  -3.882  -2.836   3.175
  691    H    THR 112           H        THR 112   0.254  -1.358   5.719
  692    HA   THR 112           HA       THR 112   2.784  -2.935   5.265
  693    HB   THR 112           HB       THR 112   3.652  -0.877   4.097
  694    HG1  THR 112           HG1      THR 112   0.977  -0.152   4.535
  695   1HG2  THR 112          1HG2      THR 112   3.150  -2.183   2.309
  696   2HG2  THR 112          2HG2      THR 112   1.630  -1.304   2.200
  697   3HG2  THR 112          3HG2      THR 112   1.703  -2.822   3.092
  698    H    ILE 113           H        ILE 113   4.725  -1.429   5.884
  699    HA   ILE 113           HA       ILE 113   4.070   0.231   8.274
  700    HB   ILE 113           HB       ILE 113   4.663  -2.116   8.990
  701   1HG1  ILE 113          1HG1      ILE 113   6.679  -0.012   9.817
  702   2HG1  ILE 113          2HG1      ILE 113   5.010  -0.031  10.386
  703   1HG2  ILE 113          1HG2      ILE 113   7.477  -1.375   8.165
  704   2HG2  ILE 113          2HG2      ILE 113   6.427  -2.313   7.107
  705   3HG2  ILE 113          3HG2      ILE 113   6.874  -2.946   8.692
  706   1HD1  ILE 113          1HD1      ILE 113   5.449  -2.421  11.173
  707   2HD1  ILE 113          2HD1      ILE 113   6.307  -1.161  12.059
  708   3HD1  ILE 113          3HD1      ILE 113   7.155  -2.119  10.845
  709    HA   PRO 114           HA       PRO 114   7.226   2.752   6.263
  710   1HB   PRO 114          1HB       PRO 114   7.770   4.080   8.862
  711   2HB   PRO 114          2HB       PRO 114   7.145   4.777   7.358
  712   1HG   PRO 114          1HG       PRO 114   5.604   4.438   9.543
  713   2HG   PRO 114          2HG       PRO 114   4.958   4.297   7.900
  714   1HD   PRO 114          1HD       PRO 114   5.719   2.114   9.830
  715   2HD   PRO 114          2HD       PRO 114   4.317   2.231   8.754
  716    H    ALA 115           H        ALA 115   9.339   2.208   5.889
  717    HA   ALA 115           HA       ALA 115  11.091   1.432   8.158
  718   1HB   ALA 115          1HB       ALA 115  10.068  -0.673   7.293
  719   2HB   ALA 115          2HB       ALA 115  11.813  -0.622   7.045
  720   3HB   ALA 115          3HB       ALA 115  10.723  -0.304   5.697
  721    H    LYS 116           H        LYS 116  13.176   2.091   7.847
  722    HA   LYS 116           HA       LYS 116  13.745   3.731   5.491
  723   1HB   LYS 116          1HB       LYS 116  14.582   3.817   8.123
  724   2HB   LYS 116          2HB       LYS 116  15.984   3.084   7.357
  725   1HG   LYS 116          1HG       LYS 116  14.664   5.662   6.455
  726   2HG   LYS 116          2HG       LYS 116  16.140   5.562   7.415
  727   1HD   LYS 116          1HD       LYS 116  17.083   4.102   5.527
  728   2HD   LYS 116          2HD       LYS 116  15.704   4.639   4.568
  729   1HE   LYS 116          1HE       LYS 116  17.628   6.093   4.136
  730   2HE   LYS 116          2HE       LYS 116  16.372   7.001   4.978
  731   1HZ   LYS 116          1HZ       LYS 116  18.677   7.287   5.865
  732   2HZ   LYS 116          2HZ       LYS 116  18.622   5.668   6.375
  733   3HZ   LYS 116          3HZ       LYS 116  17.527   6.800   7.012
  734    H    LEU 117           H        LEU 117  14.326   2.681   3.608
  735    HA   LEU 117           HA       LEU 117  15.568   0.022   3.735
  736   1HB   LEU 117          1HB       LEU 117  15.233   1.821   1.320
  737   2HB   LEU 117          2HB       LEU 117  15.591   0.099   1.303
  738    HG   LEU 117           HG       LEU 117  13.026   1.413   2.257
  739   1HD1  LEU 117          1HD1      LEU 117  13.029   1.250  -0.125
  740   2HD1  LEU 117          2HD1      LEU 117  12.115  -0.156   0.429
  741   3HD1  LEU 117          3HD1      LEU 117  13.788  -0.339  -0.090
  742   1HD2  LEU 117          1HD2      LEU 117  12.321  -1.089   2.430
  743   2HD2  LEU 117          2HD2      LEU 117  13.274  -0.406   3.744
  744   3HD2  LEU 117          3HD2      LEU 117  14.052  -1.415   2.522
  745    H    VAL 118           H        VAL 118  17.697  -0.421   3.644
  746    HA   VAL 118           HA       VAL 118  19.615   1.758   2.898
  747    HB   VAL 118           HB       VAL 118  19.881  -0.142   5.253
  748   1HG1  VAL 118          1HG1      VAL 118  22.044   0.370   4.242
  749   2HG1  VAL 118          2HG1      VAL 118  21.888   1.256   5.759
  750   3HG1  VAL 118          3HG1      VAL 118  21.658   2.091   4.224
  751   1HG2  VAL 118          1HG2      VAL 118  19.546   2.869   5.254
  752   2HG2  VAL 118          2HG2      VAL 118  19.562   1.796   6.654
  753   3HG2  VAL 118          3HG2      VAL 118  18.216   1.741   5.516
  754    H    GLN 119           H        GLN 119  20.703   0.989   1.143
  755    HA   GLN 119           HA       GLN 119  20.689  -1.682   0.259
  756   1HB   GLN 119          1HB       GLN 119  22.822   0.425  -0.200
  757   2HB   GLN 119          2HB       GLN 119  22.703  -1.085  -1.090
  758   1HG   GLN 119          1HG       GLN 119  21.629   0.675  -2.395
  759   2HG   GLN 119          2HG       GLN 119  20.411  -0.454  -1.821
  760   1HE2  GLN 119          1HE2      GLN 119  22.028   2.377  -0.227
  761   2HE2  GLN 119          2HE2      GLN 119  20.578   3.136   0.204
  762    H    SER 120           H        SER 120  21.877  -3.482   0.819
  763    HA   SER 120           HA       SER 120  24.269  -3.138   2.577
  764   1HB   SER 120          1HB       SER 120  21.786  -4.741   3.162
  765   2HB   SER 120          2HB       SER 120  23.332  -5.224   3.839
  766    HG   SER 120           HG       SER 120  21.928  -2.801   4.194
  767    H    THR 121           H        THR 121  25.197  -5.542   2.878
  768    HA   THR 121           HA       THR 121  25.128  -6.913   0.209
  769    HB   THR 121           HB       THR 121  27.610  -7.376   0.700
  770    HG1  THR 121           HG1      THR 121  28.525  -6.294   2.281
  771   1HG2  THR 121          1HG2      THR 121  28.275  -5.092  -0.132
  772   2HG2  THR 121          2HG2      THR 121  26.603  -4.584   0.109
  773   3HG2  THR 121          3HG2      THR 121  26.981  -5.850  -1.060
  774    H    LEU 122           H        LEU 122  25.795  -9.201   0.339
  775    HA   LEU 122           HA       LEU 122  24.453 -10.611   2.380
  776   1HB   LEU 122          1HB       LEU 122  25.191 -11.570   0.155
  777   2HB   LEU 122          2HB       LEU 122  26.822 -11.670   0.810
  778    HG   LEU 122           HG       LEU 122  25.899 -13.085   2.689
  779   1HD1  LEU 122          1HD1      LEU 122  23.629 -14.222   1.901
  780   2HD1  LEU 122          2HD1      LEU 122  23.389 -12.685   1.077
  781   3HD1  LEU 122          3HD1      LEU 122  23.599 -12.726   2.825
  782   1HD2  LEU 122          1HD2      LEU 122  27.017 -14.226   0.915
  783   2HD2  LEU 122          2HD2      LEU 122  25.664 -13.978  -0.191
  784   3HD2  LEU 122          3HD2      LEU 122  25.504 -15.102   1.160
  785    H    SER 123           H        SER 123  27.839  -9.542   2.247
  786    HA   SER 123           HA       SER 123  28.872 -11.006   4.427
  787   1HB   SER 123          1HB       SER 123  30.307  -9.604   3.036
  788   2HB   SER 123          2HB       SER 123  29.465  -8.153   3.581
  789    HG   SER 123           HG       SER 123  30.160  -8.673   5.710
  790    H    ASP 124           H        ASP 124  27.135  -7.876   4.447
  791    HA   ASP 124           HA       ASP 124  27.249  -7.378   7.222
  792   1HB   ASP 124          1HB       ASP 124  25.337  -6.684   5.009
  793   2HB   ASP 124          2HB       ASP 124  24.874  -6.313   6.657
  794    H    LEU 125           H        LEU 125  24.858  -9.244   5.331
  795    HA   LEU 125           HA       LEU 125  23.226  -9.986   7.526
  796   1HB   LEU 125          1HB       LEU 125  22.968 -10.355   4.904
  797   2HB   LEU 125          2HB       LEU 125  23.703 -11.912   5.263
  798    HG   LEU 125           HG       LEU 125  21.879 -12.093   7.128
  799   1HD1  LEU 125          1HD1      LEU 125  19.766 -10.893   6.452
  800   2HD1  LEU 125          2HD1      LEU 125  20.728  -9.927   5.340
  801   3HD1  LEU 125          3HD1      LEU 125  21.015  -9.822   7.073
  802   1HD2  LEU 125          1HD2      LEU 125  21.946 -13.447   5.053
  803   2HD2  LEU 125          2HD2      LEU 125  21.067 -12.173   4.210
  804   3HD2  LEU 125          3HD2      LEU 125  20.295 -13.052   5.529
  805    H    ARG 126           H        ARG 126  26.199 -11.430   6.248
  806    HA   ARG 126           HA       ARG 126  26.240 -13.805   7.828
  807   1HB   ARG 126          1HB       ARG 126  27.851 -13.145   5.954
  808   2HB   ARG 126          2HB       ARG 126  28.664 -12.120   7.134
  809   1HG   ARG 126          1HG       ARG 126  28.788 -14.248   8.605
  810   2HG   ARG 126          2HG       ARG 126  28.399 -15.127   7.125
  811   1HD   ARG 126          1HD       ARG 126  30.723 -13.202   7.427
  812   2HD   ARG 126          2HD       ARG 126  30.854 -14.959   7.516
  813    HE   ARG 126           HE       ARG 126  30.602 -13.403   5.084
  814   1HH1  ARG 126          1HH1      ARG 126  29.802 -16.356   6.673
  815   2HH1  ARG 126          2HH1      ARG 126  29.680 -17.268   5.205
  816   1HH2  ARG 126          1HH2      ARG 126  30.447 -14.576   3.158
  817   2HH2  ARG 126          2HH2      ARG 126  30.045 -16.259   3.215
  818    H    VAL 127           H        VAL 127  27.132 -10.469   8.628
  819    HA   VAL 127           HA       VAL 127  28.403 -11.002  11.120
  820    HB   VAL 127           HB       VAL 127  26.691  -8.618  10.344
  821   1HG1  VAL 127          1HG1      VAL 127  28.088  -7.484  12.107
  822   2HG1  VAL 127          2HG1      VAL 127  28.700  -9.073  12.566
  823   3HG1  VAL 127          3HG1      VAL 127  26.987  -8.704  12.748
  824   1HG2  VAL 127          1HG2      VAL 127  28.600  -9.006   8.822
  825   2HG2  VAL 127          2HG2      VAL 127  29.686  -9.082  10.206
  826   3HG2  VAL 127          3HG2      VAL 127  28.865  -7.573   9.812
  827    H    TYR 128           H        TYR 128  25.005 -10.808  10.162
  828    HA   TYR 128           HA       TYR 128  24.101 -11.111  12.976
  829   1HB   TYR 128          1HB       TYR 128  22.570 -10.954  10.367
  830   2HB   TYR 128          2HB       TYR 128  21.821 -11.090  11.956
  831    HD1  TYR 128           HD1      TYR 128  22.149  -9.270  13.655
  832    HD2  TYR 128           HD2      TYR 128  23.439  -8.880   9.580
  833    HE1  TYR 128           HE1      TYR 128  22.298  -6.811  13.938
  834    HE2  TYR 128           HE2      TYR 128  23.587  -6.421   9.859
  835    HH   TYR 128           HH       TYR 128  22.723  -4.676  11.266
  836    H    LEU 129           H        LEU 129  23.850 -12.963   9.929
  837    HA   LEU 129           HA       LEU 129  23.181 -15.412  11.520
  838   1HB   LEU 129          1HB       LEU 129  22.613 -14.724   8.628
  839   2HB   LEU 129          2HB       LEU 129  22.149 -16.216   9.430
  840    HG   LEU 129           HG       LEU 129  21.133 -13.426  10.006
  841   1HD1  LEU 129          1HD1      LEU 129  19.643 -15.958   9.265
  842   2HD1  LEU 129          2HD1      LEU 129  20.224 -14.805   8.063
  843   3HD1  LEU 129          3HD1      LEU 129  19.023 -14.306   9.257
  844   1HD2  LEU 129          1HD2      LEU 129  21.232 -14.336  12.175
  845   2HD2  LEU 129          2HD2      LEU 129  20.911 -15.975  11.605
  846   3HD2  LEU 129          3HD2      LEU 129  19.611 -14.784  11.650
  847    H    GLY 130           H        GLY 130  25.899 -14.680  11.215
  848   1HA   GLY 130          1HA       GLY 130  27.129 -15.855   8.926
  849   2HA   GLY 130          2HA       GLY 130  27.937 -15.557  10.462
  850    H    ALA 131           H        ALA 131  25.095 -17.666   9.942
  851    HA   ALA 131           HA       ALA 131  26.750 -20.085  10.149
  852   1HB   ALA 131          1HB       ALA 131  25.306 -20.840  12.168
  853   2HB   ALA 131          2HB       ALA 131  24.965 -19.123  12.387
  854   3HB   ALA 131          3HB       ALA 131  26.624 -19.711  12.481
  855    H    SER 132           H        SER 132  23.367 -18.936  10.538
  856    HA   SER 132           HA       SER 132  22.455 -21.249   8.884
  857   1HB   SER 132          1HB       SER 132  21.380 -20.601  11.139
  858   2HB   SER 132          2HB       SER 132  20.693 -19.224  10.279
  859    HG   SER 132           HG       SER 132  19.415 -21.237  10.360
  860    H    THR 133           H        THR 133  23.878 -19.079   7.623
  861    HA   THR 133           HA       THR 133  21.945 -17.290   6.407
  862    HB   THR 133           HB       THR 133  24.531 -17.621   4.998
  863    HG1  THR 133           HG1      THR 133  24.525 -16.826   7.709
  864   1HG2  THR 133          1HG2      THR 133  22.854 -15.646   4.993
  865   2HG2  THR 133          2HG2      THR 133  24.575 -15.275   5.092
  866   3HG2  THR 133          3HG2      THR 133  23.575 -15.221   6.545
  867    HA   PRO 134           HA       PRO 134  21.063 -20.448   3.209
  868   1HB   PRO 134          1HB       PRO 134  18.829 -19.341   2.164
  869   2HB   PRO 134          2HB       PRO 134  18.818 -20.130   3.751
  870   1HG   PRO 134          1HG       PRO 134  18.921 -17.220   3.077
  871   2HG   PRO 134          2HG       PRO 134  18.002 -18.045   4.346
  872   1HD   PRO 134          1HD       PRO 134  20.428 -16.733   4.757
  873   2HD   PRO 134          2HD       PRO 134  19.793 -18.002   5.819
  874    H    ASP 135           H        ASP 135  20.326 -20.005   0.705
  875    HA   ASP 135           HA       ASP 135  22.314 -18.051  -0.369
  876   1HB   ASP 135          1HB       ASP 135  22.450 -20.539  -0.935
  877   2HB   ASP 135          2HB       ASP 135  20.984 -20.308  -1.881
  878    H    LEU 136           H        LEU 136  21.558 -16.334  -1.394
  879    HA   LEU 136           HA       LEU 136  18.651 -16.027  -1.825
  880   1HB   LEU 136          1HB       LEU 136  20.930 -14.070  -2.225
  881   2HB   LEU 136          2HB       LEU 136  19.217 -13.678  -2.346
  882    HG   LEU 136           HG       LEU 136  20.594 -14.742   0.139
  883   1HD1  LEU 136          1HD1      LEU 136  19.454 -11.982  -0.368
  884   2HD1  LEU 136          2HD1      LEU 136  21.158 -12.371  -0.599
  885   3HD1  LEU 136          3HD1      LEU 136  20.431 -12.506   1.003
  886   1HD2  LEU 136          1HD2      LEU 136  17.740 -14.071  -0.555
  887   2HD2  LEU 136          2HD2      LEU 136  18.308 -13.828   1.095
  888   3HD2  LEU 136          3HD2      LEU 136  18.371 -15.434   0.377
  889    H    GLN 137           H        GLN 137  17.672 -15.955  -3.780
  890    HA   GLN 137           HA       GLN 137  19.360 -16.053  -6.249
  891   1HB   GLN 137          1HB       GLN 137  16.770 -17.588  -5.968
  892   2HB   GLN 137          2HB       GLN 137  18.060 -17.812  -7.145
  893   1HG   GLN 137          1HG       GLN 137  18.213 -18.406  -4.178
  894   2HG   GLN 137          2HG       GLN 137  18.149 -19.595  -5.478
  895   1HE2  GLN 137          1HE2      GLN 137  20.359 -18.403  -3.397
  896   2HE2  GLN 137          2HE2      GLN 137  21.737 -18.396  -4.377
  897   1H5*  ATP   1          1H5*      ATP   1   9.328   1.960  19.963
  898   2H5*  ATP   1          2H5*      ATP   1  10.579   1.988  21.170
  899    H4*  ATP   1           H4*      ATP   1  10.798   4.079  18.987
  900    H3*  ATP   1           H3*      ATP   1  11.484   3.961  21.910
  901   *HO3  ATP   1          *HO3      ATP   1  12.850   4.395  20.088
  902    H2*  ATP   1           H2*      ATP   1   9.923   5.495  22.560
  903   *HO2  ATP   1          *HO2      ATP   1  11.812   6.655  21.098
  904    H1*  ATP   1           H1*      ATP   1   9.413   6.355  19.674
  905    H8   ATP   1           H8       ATP   1   7.274   7.778  19.801
  906    H2   ATP   1           H2       ATP   1   6.930   3.448  24.519
  907   1HN6  ATP   1          1HN6      ATP   1   3.082   5.525  23.866
  908   2HN6  ATP   1          2HN6      ATP   1   3.210   6.441  22.372
  Start of MODEL   19
    1   1H    GLY  17          1H        GLY  17   2.698   2.942 -22.344
    2   2H    GLY  17          2H        GLY  17   2.065   1.397 -22.028
    3   3H    GLY  17          3H        GLY  17   1.829   2.122 -23.547
    4   1HA   GLY  17          1HA       GLY  17   4.451   1.294 -22.425
    5   2HA   GLY  17          2HA       GLY  17   3.542   0.414 -23.654
    6    H    ALA  18           H        ALA  18   5.865   2.824 -23.148
    7    HA   ALA  18           HA       ALA  18   6.161   3.269 -25.994
    8   1HB   ALA  18          1HB       ALA  18   5.878   5.859 -25.637
    9   2HB   ALA  18          2HB       ALA  18   4.885   5.376 -24.263
   10   3HB   ALA  18          3HB       ALA  18   4.443   4.866 -25.891
   11    HA   PRO  19           HA       PRO  19  10.244   4.097 -24.442
   12   1HB   PRO  19          1HB       PRO  19  11.367   5.469 -26.517
   13   2HB   PRO  19          2HB       PRO  19  10.975   3.741 -26.618
   14   1HG   PRO  19          1HG       PRO  19   9.427   6.096 -27.633
   15   2HG   PRO  19          2HG       PRO  19   9.785   4.559 -28.439
   16   1HD   PRO  19          1HD       PRO  19   7.383   5.057 -27.222
   17   2HD   PRO  19          2HD       PRO  19   8.086   3.429 -27.309
   18    H    GLU  20           H        GLU  20  11.747   5.908 -23.842
   19    HA   GLU  20           HA       GLU  20  10.333   8.102 -22.652
   20   1HB   GLU  20          1HB       GLU  20  12.569   8.972 -22.096
   21   2HB   GLU  20          2HB       GLU  20  12.482   7.241 -21.771
   22   1HG   GLU  20          1HG       GLU  20  13.433   6.902 -24.125
   23   2HG   GLU  20          2HG       GLU  20  13.789   8.629 -24.118
   24    H    GLY  21           H        GLY  21  10.011  10.193 -23.384
   25   1HA   GLY  21          1HA       GLY  21  11.410  11.623 -25.314
   26   2HA   GLY  21          2HA       GLY  21  10.248  10.672 -26.237
   27    HA   PRO  22           HA       PRO  22   6.683  13.134 -25.404
   28   1HB   PRO  22          1HB       PRO  22   5.875  11.347 -23.122
   29   2HB   PRO  22          2HB       PRO  22   4.895  11.963 -24.469
   30   1HG   PRO  22          1HG       PRO  22   5.804   9.463 -24.478
   31   2HG   PRO  22          2HG       PRO  22   5.768  10.421 -25.968
   32   1HD   PRO  22          1HD       PRO  22   8.116   9.659 -24.266
   33   2HD   PRO  22          2HD       PRO  22   8.038   9.927 -26.021
   34    H    GLY  23           H        GLY  23   6.030  14.894 -24.066
   35   1HA   GLY  23          1HA       GLY  23   6.233  16.467 -22.334
   36   2HA   GLY  23          2HA       GLY  23   6.689  15.126 -21.284
   37    HA   PRO  24           HA       PRO  24  10.854  16.454 -23.225
   38   1HB   PRO  24          1HB       PRO  24  10.905  18.324 -25.200
   39   2HB   PRO  24          2HB       PRO  24  10.579  16.611 -25.529
   40   1HG   PRO  24          1HG       PRO  24   8.653  18.888 -25.257
   41   2HG   PRO  24          2HG       PRO  24   8.684  17.584 -26.456
   42   1HD   PRO  24          1HD       PRO  24   7.040  17.557 -24.242
   43   2HD   PRO  24          2HD       PRO  24   7.640  16.077 -25.019
   44    H    SER  25           H        SER  25  12.356  18.312 -22.852
   45    HA   SER  25           HA       SER  25  11.306  20.895 -22.057
   46   1HB   SER  25          1HB       SER  25  11.677  20.765 -19.684
   47   2HB   SER  25          2HB       SER  25  10.657  19.392 -20.117
   48    HG   SER  25           HG       SER  25  12.300  18.043 -19.835
   49    H    GLY  26           H        GLY  26  13.464  21.364 -20.119
   50   1HA   GLY  26          1HA       GLY  26  15.970  20.690 -21.460
   51   2HA   GLY  26          2HA       GLY  26  15.496  22.376 -21.671
   52    H    GLY  27           H        GLY  27  16.831  20.059 -19.487
   53   1HA   GLY  27          1HA       GLY  27  18.124  21.788 -17.784
   54   2HA   GLY  27          2HA       GLY  27  16.504  21.700 -17.091
   55    H    ALA  28           H        ALA  28  18.693  20.756 -15.640
   56    HA   ALA  28           HA       ALA  28  19.330  18.016 -15.949
   57   1HB   ALA  28          1HB       ALA  28  20.461  19.524 -14.337
   58   2HB   ALA  28          2HB       ALA  28  19.889  18.051 -13.555
   59   3HB   ALA  28          3HB       ALA  28  18.995  19.558 -13.358
   60    H    GLN  29           H        GLN  29  16.331  19.447 -15.237
   61    HA   GLN  29           HA       GLN  29  15.156  17.530 -13.492
   62   1HB   GLN  29          1HB       GLN  29  14.117  19.716 -14.148
   63   2HB   GLN  29          2HB       GLN  29  13.782  19.033 -15.740
   64   1HG   GLN  29          1HG       GLN  29  12.318  17.374 -14.817
   65   2HG   GLN  29          2HG       GLN  29  12.837  17.739 -13.171
   66   1HE2  GLN  29          1HE2      GLN  29  12.666  20.671 -14.778
   67   2HE2  GLN  29          2HE2      GLN  29  11.086  21.122 -14.352
   68    H    GLY  30           H        GLY  30  13.595  15.809 -14.115
   69   1HA   GLY  30          1HA       GLY  30  12.869  14.013 -15.475
   70   2HA   GLY  30          2HA       GLY  30  13.711  14.751 -16.837
   71    H    GLY  31           H        GLY  31  13.818  11.950 -16.160
   72   1HA   GLY  31          1HA       GLY  31  16.448  11.260 -16.572
   73   2HA   GLY  31          2HA       GLY  31  16.364  11.442 -14.820
   74    H    SER  32           H        SER  32  16.086   9.490 -13.861
   75    HA   SER  32           HA       SER  32  15.162   7.153 -15.238
   76   1HB   SER  32          1HB       SER  32  15.031   6.155 -12.943
   77   2HB   SER  32          2HB       SER  32  16.572   6.951 -13.263
   78    HG   SER  32           HG       SER  32  15.934   7.712 -11.322
   79    H    ILE  33           H        ILE  33  13.219   5.876 -14.050
   80    HA   ILE  33           HA       ILE  33  10.973   7.569 -13.273
   81    HB   ILE  33           HB       ILE  33  10.926   7.899 -15.710
   82   1HG1  ILE  33          1HG1      ILE  33   8.760   5.935 -14.907
   83   2HG1  ILE  33          2HG1      ILE  33   8.796   7.611 -14.360
   84   1HG2  ILE  33          1HG2      ILE  33  12.110   5.672 -16.148
   85   2HG2  ILE  33          2HG2      ILE  33  10.795   6.080 -17.250
   86   3HG2  ILE  33          3HG2      ILE  33  10.531   4.910 -15.957
   87   1HD1  ILE  33          1HD1      ILE  33   7.374   7.244 -16.405
   88   2HD1  ILE  33          2HD1      ILE  33   8.837   6.784 -17.276
   89   3HD1  ILE  33          3HD1      ILE  33   8.667   8.421 -16.642
   90    H    HIS  34           H        HIS  34  12.041   4.381 -14.441
   91    HA   HIS  34           HA       HIS  34   9.844   2.962 -13.185
   92   1HB   HIS  34          1HB       HIS  34  11.060   1.991 -15.088
   93   2HB   HIS  34          2HB       HIS  34  12.547   1.969 -14.141
   94    HD1  HIS  34           HD1      HIS  34  12.960  -0.094 -12.785
   95    HD2  HIS  34           HD2      HIS  34   8.944   0.283 -13.839
   96    HE1  HIS  34           HE1      HIS  34  11.809  -2.204 -11.987
   97    H    SER  35           H        SER  35  13.296   2.454 -12.454
   98    HA   SER  35           HA       SER  35  12.956   3.171  -9.648
   99   1HB   SER  35          1HB       SER  35  11.863   0.900  -9.816
  100   2HB   SER  35          2HB       SER  35  13.428   0.250 -10.303
  101    HG   SER  35           HG       SER  35  12.759   1.534  -7.871
  102    H    GLY  36           H        GLY  36  15.008   3.051  -8.496
  103   1HA   GLY  36          1HA       GLY  36  17.399   2.093  -9.842
  104   2HA   GLY  36          2HA       GLY  36  17.269   3.851  -9.889
  105    H    ARG  37           H        ARG  37  19.166   3.977  -8.503
  106    HA   ARG  37           HA       ARG  37  19.072   2.800  -5.830
  107   1HB   ARG  37          1HB       ARG  37  21.226   3.152  -6.972
  108   2HB   ARG  37          2HB       ARG  37  20.928   4.889  -7.011
  109   1HG   ARG  37          1HG       ARG  37  20.983   5.023  -4.600
  110   2HG   ARG  37          2HG       ARG  37  21.028   3.266  -4.454
  111   1HD   ARG  37          1HD       ARG  37  23.281   4.078  -4.142
  112   2HD   ARG  37          2HD       ARG  37  23.211   3.304  -5.725
  113    HE   ARG  37           HE       ARG  37  23.563   5.422  -6.722
  114   1HH1  ARG  37          1HH1      ARG  37  22.695   5.652  -3.394
  115   2HH1  ARG  37          2HH1      ARG  37  23.013   7.351  -3.291
  116   1HH2  ARG  37          1HH2      ARG  37  23.984   7.640  -6.607
  117   2HH2  ARG  37          2HH2      ARG  37  23.743   8.477  -5.110
  118    H    ILE  38           H        ILE  38  17.579   3.646  -4.426
  119    HA   ILE  38           HA       ILE  38  17.648   6.584  -3.943
  120    HB   ILE  38           HB       ILE  38  15.075   5.019  -4.375
  121   1HG1  ILE  38          1HG1      ILE  38  16.559   7.037  -6.076
  122   2HG1  ILE  38          2HG1      ILE  38  16.173   5.370  -6.497
  123   1HG2  ILE  38          1HG2      ILE  38  15.437   8.014  -4.051
  124   2HG2  ILE  38          2HG2      ILE  38  15.049   6.956  -2.694
  125   3HG2  ILE  38          3HG2      ILE  38  13.930   7.102  -4.044
  126   1HD1  ILE  38          1HD1      ILE  38  13.704   6.047  -6.201
  127   2HD1  ILE  38          2HD1      ILE  38  14.535   6.660  -7.631
  128   3HD1  ILE  38          3HD1      ILE  38  14.284   7.713  -6.238
  129    H    ALA  39           H        ALA  39  18.554   6.289  -1.930
  130    HA   ALA  39           HA       ALA  39  17.395   4.333  -0.043
  131   1HB   ALA  39          1HB       ALA  39  19.763   4.509   0.083
  132   2HB   ALA  39          2HB       ALA  39  19.164   5.371   1.501
  133   3HB   ALA  39          3HB       ALA  39  19.709   6.272   0.086
  134    H    ALA  40           H        ALA  40  15.293   5.204   0.304
  135    HA   ALA  40           HA       ALA  40  15.242   7.545   2.136
  136   1HB   ALA  40          1HB       ALA  40  14.755   8.136  -0.380
  137   2HB   ALA  40          2HB       ALA  40  13.710   8.791   0.878
  138   3HB   ALA  40          3HB       ALA  40  13.189   7.394  -0.064
  139    H    VAL  41           H        VAL  41  12.646   7.764   2.683
  140    HA   VAL  41           HA       VAL  41  12.037   5.295   4.093
  141    HB   VAL  41           HB       VAL  41  10.400   7.819   3.723
  142   1HG1  VAL  41          1HG1      VAL  41   8.940   5.986   4.351
  143   2HG1  VAL  41          2HG1      VAL  41   9.202   7.001   5.767
  144   3HG1  VAL  41          3HG1      VAL  41  10.066   5.473   5.609
  145   1HG2  VAL  41          1HG2      VAL  41  12.405   8.376   4.904
  146   2HG2  VAL  41          2HG2      VAL  41  12.343   6.886   5.845
  147   3HG2  VAL  41          3HG2      VAL  41  11.168   8.169   6.141
  148    H    HIS  42           H        HIS  42  10.402   3.818   3.615
  149    HA   HIS  42           HA       HIS  42   8.660   4.251   1.259
  150   1HB   HIS  42          1HB       HIS  42  10.896   2.248   1.435
  151   2HB   HIS  42          2HB       HIS  42   9.454   1.840   0.509
  152    HD1  HIS  42           HD1      HIS  42   9.360   2.680  -1.829
  153    HD2  HIS  42           HD2      HIS  42  12.154   4.773   0.441
  154    HE1  HIS  42           HE1      HIS  42  10.583   4.209  -3.429
  155    H    ASN  43           H        ASN  43   6.793   2.955   1.343
  156    HA   ASN  43           HA       ASN  43   6.250   1.657   3.930
  157   1HB   ASN  43          1HB       ASN  43   4.580   2.106   1.438
  158   2HB   ASN  43          2HB       ASN  43   3.982   1.275   2.872
  159   1HD2  ASN  43          1HD2      ASN  43   2.645   3.595   2.209
  160   2HD2  ASN  43          2HD2      ASN  43   3.068   4.849   3.267
  161    H    VAL  44           H        VAL  44   7.517  -0.242   3.931
  162    HA   VAL  44           HA       VAL  44   7.393  -2.042   1.605
  163    HB   VAL  44           HB       VAL  44   9.489  -1.571   3.016
  164   1HG1  VAL  44          1HG1      VAL  44   8.297  -3.699   4.795
  165   2HG1  VAL  44          2HG1      VAL  44   8.275  -1.984   5.208
  166   3HG1  VAL  44          3HG1      VAL  44   9.813  -2.826   5.017
  167   1HG2  VAL  44          1HG2      VAL  44   8.665  -4.450   2.553
  168   2HG2  VAL  44          2HG2      VAL  44  10.318  -3.862   2.718
  169   3HG2  VAL  44          3HG2      VAL  44   9.346  -3.374   1.331
  170    HA   PRO  45           HA       PRO  45   3.669  -4.059   3.208
  171   1HB   PRO  45          1HB       PRO  45   4.810  -6.478   1.867
  172   2HB   PRO  45          2HB       PRO  45   3.185  -5.787   1.748
  173   1HG   PRO  45          1HG       PRO  45   5.032  -5.491  -0.191
  174   2HG   PRO  45          2HG       PRO  45   3.823  -4.257   0.165
  175   1HD   PRO  45          1HD       PRO  45   6.739  -4.235   0.732
  176   2HD   PRO  45          2HD       PRO  45   5.624  -2.876   0.513
  177    H    LEU  46           H        LEU  46   3.163  -5.270   5.010
  178    HA   LEU  46           HA       LEU  46   5.285  -6.118   6.763
  179   1HB   LEU  46          1HB       LEU  46   2.330  -6.748   6.799
  180   2HB   LEU  46          2HB       LEU  46   3.434  -7.082   8.119
  181    HG   LEU  46           HG       LEU  46   3.347  -4.268   7.091
  182   1HD1  LEU  46          1HD1      LEU  46   1.406  -3.780   8.563
  183   2HD1  LEU  46          2HD1      LEU  46   1.197  -5.514   8.809
  184   3HD1  LEU  46          3HD1      LEU  46   0.994  -4.822   7.200
  185   1HD2  LEU  46          1HD2      LEU  46   3.589  -5.533   9.838
  186   2HD2  LEU  46          2HD2      LEU  46   3.547  -3.798   9.552
  187   3HD2  LEU  46          3HD2      LEU  46   4.878  -4.758   8.916
  188    H    SER  47           H        SER  47   3.206  -7.707   4.458
  189    HA   SER  47           HA       SER  47   3.682 -10.406   5.250
  190   1HB   SER  47          1HB       SER  47   2.958 -10.898   2.856
  191   2HB   SER  47          2HB       SER  47   1.828  -9.965   3.834
  192    HG   SER  47           HG       SER  47   3.617  -9.045   1.850
  193    H    VAL  48           H        VAL  48   5.798  -8.217   3.552
  194    HA   VAL  48           HA       VAL  48   7.463 -10.539   2.641
  195    HB   VAL  48           HB       VAL  48   8.413  -9.126   0.979
  196   1HG1  VAL  48          1HG1      VAL  48   6.400  -8.385  -0.278
  197   2HG1  VAL  48          2HG1      VAL  48   5.434  -8.625   1.176
  198   3HG1  VAL  48          3HG1      VAL  48   6.214 -10.002   0.400
  199   1HG2  VAL  48          1HG2      VAL  48   7.028  -6.877   2.431
  200   2HG2  VAL  48          2HG2      VAL  48   7.633  -6.707   0.791
  201   3HG2  VAL  48          3HG2      VAL  48   8.748  -7.059   2.113
  202    H    LEU  49           H        LEU  49   7.392  -9.281   5.401
  203    HA   LEU  49           HA       LEU  49  10.131  -8.132   5.556
  204   1HB   LEU  49          1HB       LEU  49   7.918  -8.474   7.604
  205   2HB   LEU  49          2HB       LEU  49   9.527  -7.892   8.011
  206    HG   LEU  49           HG       LEU  49   7.639  -6.582   6.030
  207   1HD1  LEU  49          1HD1      LEU  49   7.043  -6.488   8.506
  208   2HD1  LEU  49          2HD1      LEU  49   7.270  -4.922   7.726
  209   3HD1  LEU  49          3HD1      LEU  49   8.542  -5.591   8.745
  210   1HD2  LEU  49          1HD2      LEU  49   9.696  -5.852   5.255
  211   2HD2  LEU  49          2HD2      LEU  49  10.491  -6.086   6.810
  212   3HD2  LEU  49          3HD2      LEU  49   9.468  -4.678   6.549
  213    H    ILE  50           H        ILE  50  11.811  -9.406   6.109
  214    HA   ILE  50           HA       ILE  50  11.281 -12.209   6.928
  215    HB   ILE  50           HB       ILE  50  13.910 -10.906   6.234
  216   1HG1  ILE  50          1HG1      ILE  50  11.831 -12.222   4.476
  217   2HG1  ILE  50          2HG1      ILE  50  12.389 -10.560   4.379
  218   1HG2  ILE  50          1HG2      ILE  50  14.679 -13.136   5.863
  219   2HG2  ILE  50          2HG2      ILE  50  13.045 -13.790   5.982
  220   3HG2  ILE  50          3HG2      ILE  50  13.850 -13.155   7.417
  221   1HD1  ILE  50          1HD1      ILE  50  14.729 -11.528   3.983
  222   2HD1  ILE  50          2HD1      ILE  50  13.568 -11.702   2.669
  223   3HD1  ILE  50          3HD1      ILE  50  13.922 -13.074   3.717
  224    H    ARG  51           H        ARG  51  11.338 -12.687   9.031
  225    HA   ARG  51           HA       ARG  51  13.283 -11.293  10.825
  226   1HB   ARG  51          1HB       ARG  51  10.330 -11.774  11.248
  227   2HB   ARG  51          2HB       ARG  51  11.429 -11.519  12.603
  228   1HG   ARG  51          1HG       ARG  51  12.159  -9.390  11.538
  229   2HG   ARG  51          2HG       ARG  51  10.928  -9.615  10.300
  230   1HD   ARG  51          1HD       ARG  51   9.163  -9.517  11.952
  231   2HD   ARG  51          2HD       ARG  51  10.332  -9.544  13.272
  232    HE   ARG  51           HE       ARG  51  10.757  -7.239  12.897
  233   1HH1  ARG  51          1HH1      ARG  51   8.902  -8.688  10.374
  234   2HH1  ARG  51          2HH1      ARG  51   8.510  -7.180   9.618
  235   1HH2  ARG  51          1HH2      ARG  51  10.255  -5.265  11.921
  236   2HH2  ARG  51          2HH2      ARG  51   9.276  -5.243  10.492
  237    HA   PRO  52           HA       PRO  52  13.567 -15.794  11.707
  238   1HB   PRO  52          1HB       PRO  52  16.160 -16.165  11.266
  239   2HB   PRO  52          2HB       PRO  52  15.078 -15.850   9.893
  240   1HG   PRO  52          1HG       PRO  52  16.976 -13.998  11.280
  241   2HG   PRO  52          2HG       PRO  52  16.606 -14.142   9.557
  242   1HD   PRO  52          1HD       PRO  52  15.452 -12.266  11.373
  243   2HD   PRO  52          2HD       PRO  52  14.880 -12.613   9.727
  244    H    LEU  53           H        LEU  53  13.795 -13.366  13.573
  245    HA   LEU  53           HA       LEU  53  15.414 -14.697  15.689
  246   1HB   LEU  53          1HB       LEU  53  16.553 -12.738  14.331
  247   2HB   LEU  53          2HB       LEU  53  15.549 -11.707  15.339
  248    HG   LEU  53           HG       LEU  53  17.329 -13.842  16.550
  249   1HD1  LEU  53          1HD1      LEU  53  19.009 -12.056  16.892
  250   2HD1  LEU  53          2HD1      LEU  53  18.024 -10.956  15.925
  251   3HD1  LEU  53          3HD1      LEU  53  18.751 -12.382  15.176
  252   1HD2  LEU  53          1HD2      LEU  53  16.074 -11.273  17.570
  253   2HD2  LEU  53          2HD2      LEU  53  17.205 -12.260  18.494
  254   3HD2  LEU  53          3HD2      LEU  53  15.635 -12.915  18.036
  255    HA   PRO  54           HA       PRO  54  11.343 -13.302  17.348
  256   1HB   PRO  54          1HB       PRO  54  11.026 -15.245  19.243
  257   2HB   PRO  54          2HB       PRO  54  10.640 -15.501  17.531
  258   1HG   PRO  54          1HG       PRO  54  13.049 -16.343  19.081
  259   2HG   PRO  54          2HG       PRO  54  12.155 -17.218  17.827
  260   1HD   PRO  54          1HD       PRO  54  14.530 -15.867  17.383
  261   2HD   PRO  54          2HD       PRO  54  13.334 -16.190  16.111
  262    H    SER  55           H        SER  55  10.711 -12.499  19.549
  263    HA   SER  55           HA       SER  55  12.912 -12.236  21.515
  264   1HB   SER  55          1HB       SER  55  11.867 -10.022  19.793
  265   2HB   SER  55          2HB       SER  55  12.290  -9.637  21.457
  266    HG   SER  55           HG       SER  55  13.946  -9.671  19.563
  267    H    VAL  56           H        VAL  56  12.117 -11.030  23.473
  268    HA   VAL  56           HA       VAL  56   9.335 -11.857  24.064
  269    HB   VAL  56           HB       VAL  56  11.374 -12.264  25.628
  270   1HG1  VAL  56          1HG1      VAL  56  12.097 -10.533  27.052
  271   2HG1  VAL  56          2HG1      VAL  56  10.745  -9.486  26.630
  272   3HG1  VAL  56          3HG1      VAL  56  12.046  -9.759  25.472
  273   1HG2  VAL  56          1HG2      VAL  56   8.757 -11.057  26.545
  274   2HG2  VAL  56          2HG2      VAL  56   9.911 -11.791  27.658
  275   3HG2  VAL  56          3HG2      VAL  56   9.166 -12.766  26.391
  276    H    LEU  57           H        LEU  57   7.834 -10.405  23.456
  277    HA   LEU  57           HA       LEU  57   8.466  -7.544  23.324
  278   1HB   LEU  57          1HB       LEU  57   5.905  -9.015  22.730
  279   2HB   LEU  57          2HB       LEU  57   6.214  -7.326  22.370
  280    HG   LEU  57           HG       LEU  57   7.919  -9.599  21.294
  281   1HD1  LEU  57          1HD1      LEU  57   5.752  -9.931  20.338
  282   2HD1  LEU  57          2HD1      LEU  57   6.662  -9.030  19.125
  283   3HD1  LEU  57          3HD1      LEU  57   5.490  -8.196  20.147
  284   1HD2  LEU  57          1HD2      LEU  57   9.203  -7.663  21.109
  285   2HD2  LEU  57          2HD2      LEU  57   7.804  -6.617  20.878
  286   3HD2  LEU  57          3HD2      LEU  57   8.356  -7.658  19.567
  287    H    ASP  58           H        ASP  58   7.488  -5.966  24.502
  288    HA   ASP  58           HA       ASP  58   6.358  -6.776  27.114
  289   1HB   ASP  58          1HB       ASP  58   8.130  -5.223  27.328
  290   2HB   ASP  58          2HB       ASP  58   7.572  -4.260  25.983
  291    HA   PRO  59           HA       PRO  59   2.348  -5.671  25.351
  292   1HB   PRO  59          1HB       PRO  59   0.792  -5.876  27.571
  293   2HB   PRO  59          2HB       PRO  59   1.490  -7.298  26.770
  294   1HG   PRO  59          1HG       PRO  59   2.454  -5.833  29.199
  295   2HG   PRO  59          2HG       PRO  59   2.306  -7.571  28.927
  296   1HD   PRO  59          1HD       PRO  59   4.689  -6.235  28.673
  297   2HD   PRO  59          2HD       PRO  59   4.301  -7.694  27.737
  298    H    ALA  60           H        ALA  60   3.823  -3.859  27.939
  299    HA   ALA  60           HA       ALA  60   1.785  -1.741  27.903
  300   1HB   ALA  60          1HB       ALA  60   3.510  -0.565  29.381
  301   2HB   ALA  60          2HB       ALA  60   4.459  -2.048  29.282
  302   3HB   ALA  60          3HB       ALA  60   2.853  -2.075  30.010
  303    H    LYS  61           H        LYS  61   5.168  -2.099  26.810
  304    HA   LYS  61           HA       LYS  61   5.341   0.545  25.734
  305   1HB   LYS  61          1HB       LYS  61   7.129  -1.527  26.170
  306   2HB   LYS  61          2HB       LYS  61   7.025  -1.509  24.417
  307   1HG   LYS  61          1HG       LYS  61   7.462   0.976  24.501
  308   2HG   LYS  61          2HG       LYS  61   7.756   0.794  26.230
  309   1HD   LYS  61          1HD       LYS  61   9.252  -0.710  24.059
  310   2HD   LYS  61          2HD       LYS  61   9.861   0.729  24.873
  311   1HE   LYS  61          1HE       LYS  61   9.418  -0.622  27.070
  312   2HE   LYS  61          2HE       LYS  61   9.404  -2.026  26.002
  313   1HZ   LYS  61          1HZ       LYS  61  11.591  -0.116  25.696
  314   2HZ   LYS  61          2HZ       LYS  61  11.590  -1.806  25.518
  315   3HZ   LYS  61          3HZ       LYS  61  11.615  -1.113  27.068
  316    H    VAL  62           H        VAL  62   4.144  -2.503  24.401
  317    HA   VAL  62           HA       VAL  62   4.058  -1.603  21.656
  318    HB   VAL  62           HB       VAL  62   2.516  -3.753  23.145
  319   1HG1  VAL  62          1HG1      VAL  62   1.083  -3.134  21.339
  320   2HG1  VAL  62          2HG1      VAL  62   1.979  -4.539  20.762
  321   3HG1  VAL  62          3HG1      VAL  62   2.443  -2.920  20.237
  322   1HG2  VAL  62          1HG2      VAL  62   4.990  -4.048  22.763
  323   2HG2  VAL  62          2HG2      VAL  62   4.683  -3.955  21.031
  324   3HG2  VAL  62          3HG2      VAL  62   4.001  -5.277  21.978
  325    H    GLN  63           H        GLN  63   1.843  -1.391  24.402
  326    HA   GLN  63           HA       GLN  63  -0.437  -0.415  22.974
  327   1HB   GLN  63          1HB       GLN  63   0.503  -0.031  25.828
  328   2HB   GLN  63          2HB       GLN  63  -1.031   0.605  25.238
  329   1HG   GLN  63          1HG       GLN  63  -0.291  -2.306  24.888
  330   2HG   GLN  63          2HG       GLN  63  -1.065  -1.725  26.361
  331   1HE2  GLN  63          1HE2      GLN  63  -2.850  -3.276  25.477
  332   2HE2  GLN  63          2HE2      GLN  63  -3.984  -2.603  24.408
  333    H    SER  64           H        SER  64   2.271   1.279  24.564
  334    HA   SER  64           HA       SER  64   1.417   3.933  24.083
  335   1HB   SER  64          1HB       SER  64   3.437   3.158  25.445
  336   2HB   SER  64          2HB       SER  64   4.296   3.016  23.911
  337    HG   SER  64           HG       SER  64   3.083   5.339  24.990
  338    H    LEU  65           H        LEU  65   3.168   1.666  21.978
  339    HA   LEU  65           HA       LEU  65   3.527   3.595  19.847
  340   1HB   LEU  65          1HB       LEU  65   3.935   0.659  20.250
  341   2HB   LEU  65          2HB       LEU  65   3.776   1.203  18.588
  342    HG   LEU  65           HG       LEU  65   5.652   2.657  20.453
  343   1HD1  LEU  65          1HD1      LEU  65   6.406   0.415  20.751
  344   2HD1  LEU  65          2HD1      LEU  65   7.462   1.111  19.522
  345   3HD1  LEU  65          3HD1      LEU  65   6.154   0.027  19.050
  346   1HD2  LEU  65          1HD2      LEU  65   5.215   3.638  18.250
  347   2HD2  LEU  65          2HD2      LEU  65   5.621   2.112  17.467
  348   3HD2  LEU  65          3HD2      LEU  65   6.869   3.029  18.309
  349    H    VAL  66           H        VAL  66   1.293   0.845  20.345
  350    HA   VAL  66           HA       VAL  66  -0.259   1.192  18.007
  351    HB   VAL  66           HB       VAL  66  -0.908   0.157  20.774
  352   1HG1  VAL  66          1HG1      VAL  66  -3.032   0.910  20.010
  353   2HG1  VAL  66          2HG1      VAL  66  -2.983  -0.814  19.646
  354   3HG1  VAL  66          3HG1      VAL  66  -2.714   0.366  18.364
  355   1HG2  VAL  66          1HG2      VAL  66  -0.499  -1.135  18.066
  356   2HG2  VAL  66          2HG2      VAL  66  -0.993  -2.008  19.516
  357   3HG2  VAL  66          3HG2      VAL  66   0.587  -1.226  19.455
  358    H    ASP  67           H        ASP  67  -0.276   2.905  21.079
  359    HA   ASP  67           HA       ASP  67  -2.738   4.356  20.555
  360   1HB   ASP  67          1HB       ASP  67  -0.500   4.592  22.567
  361   2HB   ASP  67          2HB       ASP  67  -1.769   5.807  22.476
  362    H    THR  68           H        THR  68   0.741   5.037  20.150
  363    HA   THR  68           HA       THR  68   0.428   7.798  19.445
  364    HB   THR  68           HB       THR  68   2.593   5.967  18.385
  365    HG1  THR  68           HG1      THR  68   1.968   6.701  20.963
  366   1HG2  THR  68          1HG2      THR  68   3.945   7.968  18.477
  367   2HG2  THR  68          2HG2      THR  68   2.661   8.850  19.303
  368   3HG2  THR  68          3HG2      THR  68   2.452   8.356  17.623
  369    H    ILE  69           H        ILE  69   0.814   4.888  17.392
  370    HA   ILE  69           HA       ILE  69   0.513   6.185  14.893
  371    HB   ILE  69           HB       ILE  69  -0.441   3.406  15.663
  372   1HG1  ILE  69          1HG1      ILE  69   2.262   4.492  14.824
  373   2HG1  ILE  69          2HG1      ILE  69   1.873   3.612  16.294
  374   1HG2  ILE  69          1HG2      ILE  69  -1.195   4.367  13.415
  375   2HG2  ILE  69          2HG2      ILE  69  -0.256   2.883  13.316
  376   3HG2  ILE  69          3HG2      ILE  69   0.509   4.432  12.969
  377   1HD1  ILE  69          1HD1      ILE  69   2.947   2.038  14.856
  378   2HD1  ILE  69          2HD1      ILE  69   1.967   2.527  13.475
  379   3HD1  ILE  69          3HD1      ILE  69   1.230   1.646  14.812
  380    H    ARG  70           H        ARG  70  -1.935   4.901  17.134
  381    HA   ARG  70           HA       ARG  70  -4.159   5.633  15.396
  382   1HB   ARG  70          1HB       ARG  70  -3.822   4.445  18.117
  383   2HB   ARG  70          2HB       ARG  70  -5.352   5.244  17.804
  384   1HG   ARG  70          1HG       ARG  70  -5.706   3.836  15.824
  385   2HG   ARG  70          2HG       ARG  70  -4.138   3.069  16.073
  386   1HD   ARG  70          1HD       ARG  70  -4.877   2.172  18.222
  387   2HD   ARG  70          2HD       ARG  70  -6.416   3.021  18.076
  388    HE   ARG  70           HE       ARG  70  -6.040   1.332  15.790
  389   1HH1  ARG  70          1HH1      ARG  70  -6.674   1.300  19.179
  390   2HH1  ARG  70          2HH1      ARG  70  -7.568  -0.182  19.132
  391   1HH2  ARG  70          1HH2      ARG  70  -7.204  -0.604  15.710
  392   2HH2  ARG  70          2HH2      ARG  70  -7.868  -1.260  17.168
  393    H    GLU  71           H        GLU  71  -2.370   7.250  17.955
  394    HA   GLU  71           HA       GLU  71  -4.417   9.371  18.195
  395   1HB   GLU  71          1HB       GLU  71  -1.777   8.849  19.592
  396   2HB   GLU  71          2HB       GLU  71  -2.600  10.385  19.737
  397   1HG   GLU  71          1HG       GLU  71  -4.011   7.773  20.290
  398   2HG   GLU  71          2HG       GLU  71  -3.135   8.653  21.541
  399    H    ASP  72           H        ASP  72  -1.179   8.900  16.853
  400    HA   ASP  72           HA       ASP  72  -1.592  11.151  15.035
  401   1HB   ASP  72          1HB       ASP  72  -0.770  12.156  17.223
  402   2HB   ASP  72          2HB       ASP  72   0.746  11.301  16.939
  403    HA   PRO  73           HA       PRO  73   1.133   7.843  13.355
  404   1HB   PRO  73          1HB       PRO  73   0.409   8.042  10.735
  405   2HB   PRO  73          2HB       PRO  73  -0.571   7.184  11.938
  406   1HG   PRO  73          1HG       PRO  73  -0.922   9.933  10.819
  407   2HG   PRO  73          2HG       PRO  73  -2.140   8.695  11.160
  408   1HD   PRO  73          1HD       PRO  73  -1.629  10.824  12.828
  409   2HD   PRO  73          2HD       PRO  73  -2.279   9.275  13.404
  410    H    ASP  74           H        ASP  74   1.203  11.210  12.928
  411    HA   ASP  74           HA       ASP  74   3.402  11.205  10.958
  412   1HB   ASP  74          1HB       ASP  74   1.577  12.978  11.061
  413   2HB   ASP  74          2HB       ASP  74   2.356  13.570  12.528
  414    H    SER  75           H        SER  75   3.029  11.397  14.453
  415    HA   SER  75           HA       SER  75   5.804  12.348  14.829
  416   1HB   SER  75          1HB       SER  75   3.873  13.006  16.347
  417   2HB   SER  75          2HB       SER  75   3.877  11.345  16.943
  418    HG   SER  75           HG       SER  75   5.865  13.324  17.161
  419    H    VAL  76           H        VAL  76   5.120   9.665  13.534
  420    HA   VAL  76           HA       VAL  76   6.572   7.876  15.451
  421    HB   VAL  76           HB       VAL  76   4.836   6.927  13.169
  422   1HG1  VAL  76          1HG1      VAL  76   4.796   4.874  14.344
  423   2HG1  VAL  76          2HG1      VAL  76   5.334   5.617  15.849
  424   3HG1  VAL  76          3HG1      VAL  76   6.463   5.422  14.505
  425   1HG2  VAL  76          1HG2      VAL  76   3.989   7.691  15.977
  426   2HG2  VAL  76          2HG2      VAL  76   3.009   6.710  14.887
  427   3HG2  VAL  76          3HG2      VAL  76   3.396   8.378  14.464
  428    HA   PRO  77           HA       PRO  77   9.445   8.329  11.941
  429   1HB   PRO  77          1HB       PRO  77  11.725   7.466  13.188
  430   2HB   PRO  77          2HB       PRO  77  11.057   9.093  13.395
  431   1HG   PRO  77          1HG       PRO  77  10.910   6.722  15.198
  432   2HG   PRO  77          2HG       PRO  77  11.053   8.438  15.606
  433   1HD   PRO  77          1HD       PRO  77   8.675   6.956  15.689
  434   2HD   PRO  77          2HD       PRO  77   8.760   8.729  15.614
  435    HA   PRO  78           HA       PRO  78   9.683   4.149  10.410
  436   1HB   PRO  78          1HB       PRO  78  11.643   4.332   8.556
  437   2HB   PRO  78          2HB       PRO  78  10.106   5.191   8.375
  438   1HG   PRO  78          1HG       PRO  78  12.753   6.215   9.330
  439   2HG   PRO  78          2HG       PRO  78  11.608   6.958   8.203
  440   1HD   PRO  78          1HD       PRO  78  11.779   7.643  10.872
  441   2HD   PRO  78          2HD       PRO  78  10.300   7.820   9.913
  442    H    ILE  79           H        ILE  79  11.283   2.307  10.001
  443    HA   ILE  79           HA       ILE  79  13.407   2.301  12.130
  444    HB   ILE  79           HB       ILE  79  13.122  -0.248  11.897
  445   1HG1  ILE  79          1HG1      ILE  79  10.384   0.448  10.819
  446   2HG1  ILE  79          2HG1      ILE  79  11.723   0.180   9.702
  447   1HG2  ILE  79          1HG2      ILE  79  12.320   0.766  13.884
  448   2HG2  ILE  79          2HG2      ILE  79  10.942  -0.147  13.269
  449   3HG2  ILE  79          3HG2      ILE  79  11.018   1.599  13.033
  450   1HD1  ILE  79          1HD1      ILE  79  12.126  -2.032  10.746
  451   2HD1  ILE  79          2HD1      ILE  79  10.502  -1.909  10.068
  452   3HD1  ILE  79          3HD1      ILE  79  10.744  -1.766  11.809
  453    H    ASP  80           H        ASP  80  15.306   0.866  11.576
  454    HA   ASP  80           HA       ASP  80  16.201   1.449   8.837
  455   1HB   ASP  80          1HB       ASP  80  18.328   0.312   9.819
  456   2HB   ASP  80          2HB       ASP  80  17.859   1.884  10.456
  457    H    VAL  81           H        VAL  81  16.422  -0.108   7.251
  458    HA   VAL  81           HA       VAL  81  16.100  -2.983   7.994
  459    HB   VAL  81           HB       VAL  81  14.414  -1.372   6.069
  460   1HG1  VAL  81          1HG1      VAL  81  13.477  -3.587   5.310
  461   2HG1  VAL  81          2HG1      VAL  81  14.855  -4.369   6.077
  462   3HG1  VAL  81          3HG1      VAL  81  15.108  -3.258   4.730
  463   1HG2  VAL  81          1HG2      VAL  81  13.555  -1.608   8.328
  464   2HG2  VAL  81          2HG2      VAL  81  13.835  -3.349   8.295
  465   3HG2  VAL  81          3HG2      VAL  81  12.599  -2.634   7.258
  466    H    LEU  82           H        LEU  82  17.282  -4.379   6.711
  467    HA   LEU  82           HA       LEU  82  19.278  -3.108   4.924
  468   1HB   LEU  82          1HB       LEU  82  19.098  -6.054   5.597
  469   2HB   LEU  82          2HB       LEU  82  20.502  -5.156   5.043
  470    HG   LEU  82           HG       LEU  82  19.150  -4.520   7.676
  471   1HD1  LEU  82          1HD1      LEU  82  19.863  -6.866   7.718
  472   2HD1  LEU  82          2HD1      LEU  82  20.914  -5.880   8.735
  473   3HD1  LEU  82          3HD1      LEU  82  21.463  -6.399   7.141
  474   1HD2  LEU  82          1HD2      LEU  82  21.891  -3.967   6.494
  475   2HD2  LEU  82          2HD2      LEU  82  21.429  -3.588   8.153
  476   3HD2  LEU  82          3HD2      LEU  82  20.627  -2.778   6.809
  477    H    TRP  83           H        TRP  83  19.209  -3.236   2.751
  478    HA   TRP  83           HA       TRP  83  17.064  -4.881   1.470
  479   1HB   TRP  83          1HB       TRP  83  17.032  -2.404   1.159
  480   2HB   TRP  83          2HB       TRP  83  18.633  -2.495   0.460
  481    HD1  TRP  83           HD1      TRP  83  16.618  -5.397  -0.758
  482    HE1  TRP  83           HE1      TRP  83  15.785  -4.904  -3.153
  483    HE3  TRP  83           HE3      TRP  83  17.646  -0.426  -1.019
  484    HZ2  TRP  83           HZ2      TRP  83  15.585  -2.670  -4.940
  485    HZ3  TRP  83           HZ3      TRP  83  17.141   0.871  -3.079
  486    HH2  TRP  83           HH2      TRP  83  16.117  -0.255  -5.038
  487    H    ILE  84           H        ILE  84  17.946  -6.795   0.705
  488    HA   ILE  84           HA       ILE  84  20.598  -6.651  -0.703
  489    HB   ILE  84           HB       ILE  84  19.683  -9.004   0.967
  490   1HG1  ILE  84          1HG1      ILE  84  21.429  -6.636   1.713
  491   2HG1  ILE  84          2HG1      ILE  84  19.940  -7.146   2.505
  492   1HG2  ILE  84          1HG2      ILE  84  21.935  -9.762   0.697
  493   2HG2  ILE  84          2HG2      ILE  84  22.459  -8.196   0.076
  494   3HG2  ILE  84          3HG2      ILE  84  21.420  -9.231  -0.904
  495   1HD1  ILE  84          1HD1      ILE  84  22.626  -8.526   2.516
  496   2HD1  ILE  84          2HD1      ILE  84  21.145  -9.373   2.960
  497   3HD1  ILE  84          3HD1      ILE  84  21.675  -7.974   3.895
  498    H    LYS  85           H        LYS  85  20.750  -7.881  -2.570
  499    HA   LYS  85           HA       LYS  85  18.189  -9.104  -3.543
  500   1HB   LYS  85          1HB       LYS  85  20.412  -7.576  -4.866
  501   2HB   LYS  85          2HB       LYS  85  19.526  -8.758  -5.826
  502   1HG   LYS  85          1HG       LYS  85  17.424  -7.662  -5.301
  503   2HG   LYS  85          2HG       LYS  85  18.258  -6.534  -4.236
  504   1HD   LYS  85          1HD       LYS  85  19.317  -5.415  -6.011
  505   2HD   LYS  85          2HD       LYS  85  19.067  -6.760  -7.122
  506   1HE   LYS  85          1HE       LYS  85  17.504  -5.098  -7.785
  507   2HE   LYS  85          2HE       LYS  85  16.552  -6.277  -6.892
  508   1HZ   LYS  85          1HZ       LYS  85  17.581  -4.452  -5.060
  509   2HZ   LYS  85          2HZ       LYS  85  15.960  -4.670  -5.522
  510   3HZ   LYS  85          3HZ       LYS  85  16.941  -3.552  -6.348
  511    H    GLY  86           H        GLY  86  18.337 -11.011  -4.825
  512   1HA   GLY  86          1HA       GLY  86  20.480 -12.838  -3.925
  513   2HA   GLY  86          2HA       GLY  86  18.965 -13.321  -4.657
  514    H    ALA  87           H        ALA  87  20.761 -14.628  -5.824
  515    HA   ALA  87           HA       ALA  87  22.406 -13.358  -7.795
  516   1HB   ALA  87          1HB       ALA  87  23.065 -15.535  -7.219
  517   2HB   ALA  87          2HB       ALA  87  22.322 -15.775  -8.800
  518   3HB   ALA  87          3HB       ALA  87  21.423 -16.168  -7.331
  519    H    GLN  88           H        GLN  88  19.033 -13.678  -7.715
  520    HA   GLN  88           HA       GLN  88  18.871 -13.367 -10.698
  521   1HB   GLN  88          1HB       GLN  88  16.807 -14.680  -8.912
  522   2HB   GLN  88          2HB       GLN  88  16.769 -14.568 -10.673
  523   1HG   GLN  88          1HG       GLN  88  18.857 -15.885 -10.796
  524   2HG   GLN  88          2HG       GLN  88  18.875 -16.011  -9.039
  525   1HE2  GLN  88          1HE2      GLN  88  18.802 -18.455  -9.760
  526   2HE2  GLN  88          2HE2      GLN  88  17.255 -19.129  -9.921
  527    H    GLY  89           H        GLY  89  18.971 -11.354  -8.402
  528   1HA   GLY  89          1HA       GLY  89  18.053  -9.176  -8.295
  529   2HA   GLY  89          2HA       GLY  89  16.838  -9.658  -9.467
  530    H    GLY  90           H        GLY  90  16.432 -12.065  -7.427
  531   1HA   GLY  90          1HA       GLY  90  14.030 -11.236  -6.308
  532   2HA   GLY  90          2HA       GLY  90  15.028 -12.496  -5.600
  533    H    ASP  91           H        ASP  91  13.793  -9.408  -5.157
  534    HA   ASP  91           HA       ASP  91  15.877  -8.385  -3.403
  535   1HB   ASP  91          1HB       ASP  91  13.073  -7.516  -4.105
  536   2HB   ASP  91          2HB       ASP  91  13.927  -6.765  -2.767
  537    H    TYR  92           H        TYR  92  16.022  -8.645  -1.236
  538    HA   TYR  92           HA       TYR  92  13.789 -10.026   0.218
  539   1HB   TYR  92          1HB       TYR  92  16.769 -10.571   0.454
  540   2HB   TYR  92          2HB       TYR  92  15.518 -11.309   1.452
  541    HD1  TYR  92           HD1      TYR  92  17.137 -11.282  -1.833
  542    HD2  TYR  92           HD2      TYR  92  13.838 -12.852   0.426
  543    HE1  TYR  92           HE1      TYR  92  16.763 -12.996  -3.567
  544    HE2  TYR  92           HE2      TYR  92  13.466 -14.571  -1.316
  545    HH   TYR  92           HH       TYR  92  15.743 -15.175  -3.814
  546    H    PHE  93           H        PHE  93  13.141  -8.757   1.900
  547    HA   PHE  93           HA       PHE  93  14.954  -6.596   2.833
  548   1HB   PHE  93          1HB       PHE  93  11.989  -7.040   3.322
  549   2HB   PHE  93          2HB       PHE  93  12.914  -5.629   3.806
  550    HD1  PHE  93           HD1      PHE  93  14.077  -4.226   1.978
  551    HD2  PHE  93           HD2      PHE  93  11.086  -7.205   1.129
  552    HE1  PHE  93           HE1      PHE  93  13.728  -3.251  -0.265
  553    HE2  PHE  93           HE2      PHE  93  10.749  -6.219  -1.117
  554    HZ   PHE  93           HZ       PHE  93  12.069  -4.242  -1.814
  555    H    TYR  94           H        TYR  94  16.106  -6.979   4.600
  556    HA   TYR  94           HA       TYR  94  15.126  -8.956   6.627
  557   1HB   TYR  94          1HB       TYR  94  17.801  -8.095   5.598
  558   2HB   TYR  94          2HB       TYR  94  17.722  -8.465   7.317
  559    HD1  TYR  94           HD1      TYR  94  17.390  -9.820   3.917
  560    HD2  TYR  94           HD2      TYR  94  17.213 -10.686   8.117
  561    HE1  TYR  94           HE1      TYR  94  17.449 -12.243   3.414
  562    HE2  TYR  94           HE2      TYR  94  17.270 -13.115   7.609
  563    HH   TYR  94           HH       TYR  94  17.313 -14.299   4.250
  564    H    SER  95           H        SER  95  14.653  -8.222   8.670
  565    HA   SER  95           HA       SER  95  15.425  -5.399   9.371
  566   1HB   SER  95          1HB       SER  95  12.879  -6.076   8.857
  567   2HB   SER  95          2HB       SER  95  12.936  -6.560  10.543
  568    HG   SER  95           HG       SER  95  13.065  -4.560  11.131
  569    H    PHE  96           H        PHE  96  16.385  -5.171  11.319
  570    HA   PHE  96           HA       PHE  96  16.277  -7.416  13.293
  571   1HB   PHE  96          1HB       PHE  96  18.720  -5.965  12.250
  572   2HB   PHE  96          2HB       PHE  96  18.700  -6.874  13.761
  573    HD1  PHE  96           HD1      PHE  96  19.155  -7.092  10.238
  574    HD2  PHE  96           HD2      PHE  96  17.819  -9.323  13.635
  575    HE1  PHE  96           HE1      PHE  96  19.565  -9.192   9.007
  576    HE2  PHE  96           HE2      PHE  96  18.207 -11.440  12.404
  577    HZ   PHE  96           HZ       PHE  96  19.083 -11.375  10.085
  578    H    GLY  97           H        GLY  97  14.853  -6.075  14.499
  579   1HA   GLY  97          1HA       GLY  97  15.321  -4.688  16.636
  580   2HA   GLY  97          2HA       GLY  97  15.919  -3.470  15.507
  581    H    GLY  98           H        GLY  98  14.090  -2.190  16.568
  582   1HA   GLY  98          1HA       GLY  98  11.877  -1.361  16.542
  583   2HA   GLY  98          2HA       GLY  98  11.981  -1.731  14.824
  584    H    CYS  99           H        CYS  99  12.366  -4.479  16.843
  585    HA   CYS  99           HA       CYS  99  10.247  -5.939  15.767
  586   1HB   CYS  99          1HB       CYS  99  11.082  -6.245  18.656
  587   2HB   CYS  99          2HB       CYS  99  10.570  -7.498  17.525
  588    HG   CYS  99           HG       CYS  99  13.328  -6.032  17.340
  589    H    HIS 100           H        HIS 100  10.198  -4.129  18.863
  590    HA   HIS 100           HA       HIS 100   7.478  -4.580  19.483
  591   1HB   HIS 100          1HB       HIS 100   9.383  -2.320  20.093
  592   2HB   HIS 100          2HB       HIS 100   7.703  -2.233  20.615
  593    HD1  HIS 100           HD1      HIS 100  10.637  -4.674  20.853
  594    HD2  HIS 100           HD2      HIS 100   7.266  -3.537  23.036
  595    HE1  HIS 100           HE1      HIS 100  10.722  -5.965  23.035
  596    H    ARG 101           H        ARG 101   8.950  -2.371  17.177
  597    HA   ARG 101           HA       ARG 101   6.570  -0.807  16.728
  598   1HB   ARG 101          1HB       ARG 101   9.096  -0.370  16.033
  599   2HB   ARG 101          2HB       ARG 101   8.618  -1.192  14.558
  600   1HG   ARG 101          1HG       ARG 101   7.871   0.844  13.863
  601   2HG   ARG 101          2HG       ARG 101   6.501   0.575  14.904
  602   1HD   ARG 101          1HD       ARG 101   7.187   2.632  15.712
  603   2HD   ARG 101          2HD       ARG 101   8.190   1.617  16.735
  604    HE   ARG 101           HE       ARG 101   9.109   3.160  14.365
  605   1HH1  ARG 101          1HH1      ARG 101   9.789   0.994  16.990
  606   2HH1  ARG 101          2HH1      ARG 101  11.496   1.257  16.918
  607   1HH2  ARG 101          1HH2      ARG 101  11.328   3.491  14.282
  608   2HH2  ARG 101          2HH2      ARG 101  12.365   2.661  15.393
  609    H    TYR 102           H        TYR 102   7.724  -3.876  15.494
  610    HA   TYR 102           HA       TYR 102   5.931  -4.010  13.232
  611   1HB   TYR 102          1HB       TYR 102   7.899  -5.406  13.246
  612   2HB   TYR 102          2HB       TYR 102   7.454  -6.117  14.794
  613    HD1  TYR 102           HD1      TYR 102   6.860  -6.156  11.176
  614    HD2  TYR 102           HD2      TYR 102   5.566  -7.661  14.978
  615    HE1  TYR 102           HE1      TYR 102   5.585  -7.949  10.032
  616    HE2  TYR 102           HE2      TYR 102   4.281  -9.444  13.843
  617    HH   TYR 102           HH       TYR 102   4.522 -10.654  11.470
  618    H    ALA 103           H        ALA 103   5.797  -5.316  16.559
  619    HA   ALA 103           HA       ALA 103   3.315  -6.676  16.334
  620   1HB   ALA 103          1HB       ALA 103   4.647  -5.294  18.672
  621   2HB   ALA 103          2HB       ALA 103   4.616  -7.020  18.312
  622   3HB   ALA 103          3HB       ALA 103   3.144  -6.202  18.836
  623    H    ALA 104           H        ALA 104   4.003  -3.267  17.114
  624    HA   ALA 104           HA       ALA 104   1.303  -2.550  17.685
  625   1HB   ALA 104          1HB       ALA 104   2.117  -0.202  17.007
  626   2HB   ALA 104          2HB       ALA 104   3.685  -0.961  16.727
  627   3HB   ALA 104          3HB       ALA 104   2.967  -0.987  18.338
  628    H    TYR 105           H        TYR 105   3.164  -2.304  14.640
  629    HA   TYR 105           HA       TYR 105   0.955  -1.315  13.097
  630   1HB   TYR 105          1HB       TYR 105   3.670  -2.450  12.572
  631   2HB   TYR 105          2HB       TYR 105   2.532  -2.532  11.238
  632    HD1  TYR 105           HD1      TYR 105   1.720  -0.525  10.135
  633    HD2  TYR 105           HD2      TYR 105   4.378  -0.281  13.499
  634    HE1  TYR 105           HE1      TYR 105   2.126   1.871   9.639
  635    HE2  TYR 105           HE2      TYR 105   4.788   2.115  13.003
  636    HH   TYR 105           HH       TYR 105   2.996   3.794  10.454
  637    H    GLN 106           H        GLN 106   2.210  -4.582  13.723
  638    HA   GLN 106           HA       GLN 106   0.455  -5.979  11.976
  639   1HB   GLN 106          1HB       GLN 106   2.503  -6.896  13.177
  640   2HB   GLN 106          2HB       GLN 106   1.514  -6.983  14.632
  641   1HG   GLN 106          1HG       GLN 106   0.627  -8.273  12.051
  642   2HG   GLN 106          2HG       GLN 106   1.690  -9.116  13.168
  643   1HE2  GLN 106          1HE2      GLN 106   0.784  -9.521  15.423
  644   2HE2  GLN 106          2HE2      GLN 106  -0.896  -9.562  15.634
  645    H    GLN 107           H        GLN 107   0.150  -5.157  15.436
  646    HA   GLN 107           HA       GLN 107  -2.354  -6.391  15.899
  647   1HB   GLN 107          1HB       GLN 107  -1.017  -5.538  17.739
  648   2HB   GLN 107          2HB       GLN 107  -1.154  -3.891  17.125
  649   1HG   GLN 107          1HG       GLN 107  -3.413  -3.708  17.724
  650   2HG   GLN 107          2HG       GLN 107  -3.655  -5.452  17.741
  651   1HE2  GLN 107          1HE2      GLN 107  -4.409  -5.588  19.935
  652   2HE2  GLN 107          2HE2      GLN 107  -3.414  -5.239  21.265
  653    H    LEU 108           H        LEU 108  -1.605  -3.142  14.639
  654    HA   LEU 108           HA       LEU 108  -4.404  -2.366  14.496
  655   1HB   LEU 108          1HB       LEU 108  -1.917  -1.225  13.196
  656   2HB   LEU 108          2HB       LEU 108  -3.510  -0.480  13.091
  657    HG   LEU 108           HG       LEU 108  -2.089  -1.106  15.701
  658   1HD1  LEU 108          1HD1      LEU 108  -1.431   1.176  15.828
  659   2HD1  LEU 108          2HD1      LEU 108  -2.463   1.629  14.470
  660   3HD1  LEU 108          3HD1      LEU 108  -1.010   0.670  14.191
  661   1HD2  LEU 108          1HD2      LEU 108  -4.320  -0.945  16.316
  662   2HD2  LEU 108          2HD2      LEU 108  -4.734   0.121  14.974
  663   3HD2  LEU 108          3HD2      LEU 108  -3.882   0.758  16.379
  664    H    GLN 109           H        GLN 109  -2.921  -4.747  12.922
  665    HA   GLN 109           HA       GLN 109  -3.187  -5.784  10.831
  666   1HB   GLN 109          1HB       GLN 109  -5.517  -5.762  11.947
  667   2HB   GLN 109          2HB       GLN 109  -5.906  -4.470  10.814
  668   1HG   GLN 109          1HG       GLN 109  -5.391  -5.921   8.920
  669   2HG   GLN 109          2HG       GLN 109  -4.852  -7.200  10.008
  670   1HE2  GLN 109          1HE2      GLN 109  -7.295  -6.015  11.757
  671   2HE2  GLN 109          2HE2      GLN 109  -8.603  -6.896  11.133
  672    H    ARG 110           H        ARG 110  -1.796  -3.381  10.526
  673    HA   ARG 110           HA       ARG 110  -3.060  -1.793   8.411
  674   1HB   ARG 110          1HB       ARG 110  -0.268  -1.830   9.592
  675   2HB   ARG 110          2HB       ARG 110  -0.749  -0.732   8.302
  676   1HG   ARG 110          1HG       ARG 110  -2.405  -0.857  10.825
  677   2HG   ARG 110          2HG       ARG 110  -0.894   0.046  10.831
  678   1HD   ARG 110          1HD       ARG 110  -1.641   1.484   9.053
  679   2HD   ARG 110          2HD       ARG 110  -3.058   0.482   8.755
  680    HE   ARG 110           HE       ARG 110  -4.116   1.469  10.635
  681   1HH1  ARG 110          1HH1      ARG 110  -0.756   2.229  10.431
  682   2HH1  ARG 110          2HH1      ARG 110  -0.825   3.451  11.656
  683   1HH2  ARG 110          1HH2      ARG 110  -4.220   3.057  12.236
  684   2HH2  ARG 110          2HH2      ARG 110  -2.785   3.918  12.680
  685    H    GLU 111           H        GLU 111  -2.054  -1.628   6.254
  686    HA   GLU 111           HA       GLU 111  -1.479  -4.302   5.208
  687   1HB   GLU 111          1HB       GLU 111  -1.819  -1.582   3.932
  688   2HB   GLU 111          2HB       GLU 111  -1.321  -2.993   2.999
  689   1HG   GLU 111          1HG       GLU 111  -3.752  -2.744   2.879
  690   2HG   GLU 111          2HG       GLU 111  -3.352  -4.196   3.796
  691    H    THR 112           H        THR 112   0.345  -1.228   5.538
  692    HA   THR 112           HA       THR 112   2.862  -2.818   5.084
  693    HB   THR 112           HB       THR 112   3.749  -0.788   3.887
  694    HG1  THR 112           HG1      THR 112   1.860   0.496   3.031
  695   1HG2  THR 112          1HG2      THR 112   3.231  -2.085   2.099
  696   2HG2  THR 112          2HG2      THR 112   1.707  -1.212   2.001
  697   3HG2  THR 112          3HG2      THR 112   1.794  -2.726   2.898
  698    H    ILE 113           H        ILE 113   4.806  -1.299   5.692
  699    HA   ILE 113           HA       ILE 113   4.129   0.394   8.055
  700    HB   ILE 113           HB       ILE 113   4.735  -1.929   8.825
  701   1HG1  ILE 113          1HG1      ILE 113   6.735   0.217   9.584
  702   2HG1  ILE 113          2HG1      ILE 113   5.075   0.177  10.176
  703   1HG2  ILE 113          1HG2      ILE 113   6.952  -2.753   8.542
  704   2HG2  ILE 113          2HG2      ILE 113   7.542  -1.196   7.963
  705   3HG2  ILE 113          3HG2      ILE 113   6.491  -2.173   6.942
  706   1HD1  ILE 113          1HD1      ILE 113   7.275  -1.847  10.654
  707   2HD1  ILE 113          2HD1      ILE 113   5.580  -2.194  10.996
  708   3HD1  ILE 113          3HD1      ILE 113   6.406  -0.893  11.855
  709    HA   PRO 114           HA       PRO 114   7.274   2.910   6.020
  710   1HB   PRO 114          1HB       PRO 114   7.781   4.282   8.605
  711   2HB   PRO 114          2HB       PRO 114   7.170   4.952   7.083
  712   1HG   PRO 114          1HG       PRO 114   5.603   4.641   9.250
  713   2HG   PRO 114          2HG       PRO 114   4.980   4.459   7.601
  714   1HD   PRO 114          1HD       PRO 114   5.741   2.324   9.585
  715   2HD   PRO 114          2HD       PRO 114   4.347   2.406   8.495
  716    H    ALA 115           H        ALA 115   9.390   2.380   5.671
  717    HA   ALA 115           HA       ALA 115  11.163   1.717   7.947
  718   1HB   ALA 115          1HB       ALA 115  11.832  -0.428   7.035
  719   2HB   ALA 115          2HB       ALA 115  10.794  -0.203   5.628
  720   3HB   ALA 115          3HB       ALA 115  10.078  -0.437   7.222
  721    H    LYS 116           H        LYS 116  13.201   2.454   7.543
  722    HA   LYS 116           HA       LYS 116  13.693   3.835   5.018
  723   1HB   LYS 116          1HB       LYS 116  14.528   4.354   7.529
  724   2HB   LYS 116          2HB       LYS 116  15.912   3.410   7.000
  725   1HG   LYS 116          1HG       LYS 116  14.775   5.843   5.598
  726   2HG   LYS 116          2HG       LYS 116  16.251   5.814   6.562
  727   1HD   LYS 116          1HD       LYS 116  17.123   4.031   4.984
  728   2HD   LYS 116          2HD       LYS 116  15.724   4.354   3.960
  729   1HE   LYS 116          1HE       LYS 116  17.467   5.717   3.080
  730   2HE   LYS 116          2HE       LYS 116  16.452   6.815   4.013
  731   1HZ   LYS 116          1HZ       LYS 116  18.768   5.469   5.250
  732   2HZ   LYS 116          2HZ       LYS 116  17.974   6.889   5.740
  733   3HZ   LYS 116          3HZ       LYS 116  18.969   6.901   4.363
  734    H    LEU 117           H        LEU 117  14.421   2.767   3.264
  735    HA   LEU 117           HA       LEU 117  15.597   0.094   3.523
  736   1HB   LEU 117          1HB       LEU 117  15.422   1.833   1.044
  737   2HB   LEU 117          2HB       LEU 117  15.712   0.097   1.093
  738    HG   LEU 117           HG       LEU 117  13.172   1.526   1.949
  739   1HD1  LEU 117          1HD1      LEU 117  12.257  -0.036   0.100
  740   2HD1  LEU 117          2HD1      LEU 117  13.939  -0.224  -0.393
  741   3HD1  LEU 117          3HD1      LEU 117  13.190   1.370  -0.421
  742   1HD2  LEU 117          1HD2      LEU 117  13.299  -0.295   3.441
  743   2HD2  LEU 117          2HD2      LEU 117  14.087  -1.334   2.252
  744   3HD2  LEU 117          3HD2      LEU 117  12.373  -0.955   2.096
  745    H    VAL 118           H        VAL 118  17.738  -0.412   3.453
  746    HA   VAL 118           HA       VAL 118  19.714   1.774   2.909
  747    HB   VAL 118           HB       VAL 118  19.622  -0.158   5.246
  748   1HG1  VAL 118          1HG1      VAL 118  21.782   0.981   5.907
  749   2HG1  VAL 118          2HG1      VAL 118  21.854   1.641   4.275
  750   3HG1  VAL 118          3HG1      VAL 118  21.914  -0.105   4.525
  751   1HG2  VAL 118          1HG2      VAL 118  18.317   2.035   5.297
  752   2HG2  VAL 118          2HG2      VAL 118  19.876   2.856   5.238
  753   3HG2  VAL 118          3HG2      VAL 118  19.483   1.807   6.600
  754    H    GLN 119           H        GLN 119  20.694   1.030   1.063
  755    HA   GLN 119           HA       GLN 119  20.846  -1.566   0.076
  756   1HB   GLN 119          1HB       GLN 119  22.994   0.592  -0.051
  757   2HB   GLN 119          2HB       GLN 119  23.024  -0.875  -1.020
  758   1HG   GLN 119          1HG       GLN 119  22.126   1.107  -2.244
  759   2HG   GLN 119          2HG       GLN 119  20.984  -0.222  -2.172
  760   1HE2  GLN 119          1HE2      GLN 119  18.901   0.685  -1.790
  761   2HE2  GLN 119          2HE2      GLN 119  18.595   1.962  -0.724
  762    H    SER 120           H        SER 120  21.977  -3.406   0.643
  763    HA   SER 120           HA       SER 120  24.290  -3.164   2.509
  764   1HB   SER 120          1HB       SER 120  21.750  -4.710   3.010
  765   2HB   SER 120          2HB       SER 120  23.266  -5.201   3.748
  766    HG   SER 120           HG       SER 120  23.282  -3.448   4.950
  767    H    THR 121           H        THR 121  25.142  -5.586   2.821
  768    HA   THR 121           HA       THR 121  25.046  -6.996   0.178
  769    HB   THR 121           HB       THR 121  27.544  -7.437   0.621
  770    HG1  THR 121           HG1      THR 121  27.165  -5.153   2.252
  771   1HG2  THR 121          1HG2      THR 121  28.168  -5.156  -0.285
  772   2HG2  THR 121          2HG2      THR 121  26.484  -4.685  -0.054
  773   3HG2  THR 121          3HG2      THR 121  26.891  -5.982  -1.178
  774    H    LEU 122           H        LEU 122  25.733  -9.277   0.350
  775    HA   LEU 122           HA       LEU 122  24.445 -10.646   2.449
  776   1HB   LEU 122          1HB       LEU 122  25.159 -11.665   0.248
  777   2HB   LEU 122          2HB       LEU 122  26.805 -11.711   0.870
  778    HG   LEU 122           HG       LEU 122  25.943 -13.080   2.817
  779   1HD1  LEU 122          1HD1      LEU 122  23.408 -12.815   1.214
  780   2HD1  LEU 122          2HD1      LEU 122  23.634 -12.761   2.959
  781   3HD1  LEU 122          3HD1      LEU 122  23.699 -14.300   2.114
  782   1HD2  LEU 122          1HD2      LEU 122  25.911 -15.148   1.562
  783   2HD2  LEU 122          2HD2      LEU 122  27.028 -14.043   0.756
  784   3HD2  LEU 122          3HD2      LEU 122  25.411 -14.303   0.096
  785    H    SER 123           H        SER 123  27.654  -9.254   2.369
  786    HA   SER 123           HA       SER 123  28.826 -10.751   4.496
  787   1HB   SER 123          1HB       SER 123  29.286  -7.906   3.560
  788   2HB   SER 123          2HB       SER 123  30.285  -8.708   4.773
  789    HG   SER 123           HG       SER 123  29.791  -9.774   2.199
  790    H    ASP 124           H        ASP 124  27.022  -7.655   4.538
  791    HA   ASP 124           HA       ASP 124  27.146  -7.190   7.324
  792   1HB   ASP 124          1HB       ASP 124  26.134  -5.672   5.502
  793   2HB   ASP 124          2HB       ASP 124  24.671  -6.638   5.671
  794    H    LEU 125           H        LEU 125  24.886  -9.188   5.431
  795    HA   LEU 125           HA       LEU 125  23.214  -9.898   7.623
  796   1HB   LEU 125          1HB       LEU 125  23.015 -10.332   4.996
  797   2HB   LEU 125          2HB       LEU 125  23.743 -11.875   5.421
  798    HG   LEU 125           HG       LEU 125  21.891 -12.027   7.238
  799   1HD1  LEU 125          1HD1      LEU 125  19.777 -10.818   6.458
  800   2HD1  LEU 125          2HD1      LEU 125  20.823  -9.808   5.470
  801   3HD1  LEU 125          3HD1      LEU 125  20.990  -9.800   7.221
  802   1HD2  LEU 125          1HD2      LEU 125  21.975 -13.391   5.168
  803   2HD2  LEU 125          2HD2      LEU 125  21.100 -12.121   4.315
  804   3HD2  LEU 125          3HD2      LEU 125  20.322 -12.995   5.634
  805    H    ARG 126           H        ARG 126  26.241 -11.307   6.424
  806    HA   ARG 126           HA       ARG 126  26.278 -13.645   8.059
  807   1HB   ARG 126          1HB       ARG 126  27.931 -13.006   6.208
  808   2HB   ARG 126          2HB       ARG 126  28.704 -11.952   7.391
  809   1HG   ARG 126          1HG       ARG 126  28.795 -14.051   8.907
  810   2HG   ARG 126          2HG       ARG 126  28.459 -14.961   7.433
  811   1HD   ARG 126          1HD       ARG 126  30.785 -13.056   7.841
  812   2HD   ARG 126          2HD       ARG 126  30.881 -14.813   7.853
  813    HE   ARG 126           HE       ARG 126  30.506 -14.839   5.479
  814   1HH1  ARG 126          1HH1      ARG 126  30.452 -11.661   6.863
  815   2HH1  ARG 126          2HH1      ARG 126  30.625 -10.865   5.338
  816   1HH2  ARG 126          1HH2      ARG 126  30.726 -13.796   3.500
  817   2HH2  ARG 126          2HH2      ARG 126  30.777 -12.066   3.442
  818    H    VAL 127           H        VAL 127  27.157 -10.287   8.779
  819    HA   VAL 127           HA       VAL 127  28.366 -10.723  11.310
  820    HB   VAL 127           HB       VAL 127  26.630  -8.393  10.429
  821   1HG1  VAL 127          1HG1      VAL 127  28.615  -8.740  12.695
  822   2HG1  VAL 127          2HG1      VAL 127  26.891  -8.401  12.843
  823   3HG1  VAL 127          3HG1      VAL 127  27.976  -7.180  12.179
  824   1HG2  VAL 127          1HG2      VAL 127  28.857  -7.337   9.975
  825   2HG2  VAL 127          2HG2      VAL 127  28.527  -8.718   8.932
  826   3HG2  VAL 127          3HG2      VAL 127  29.619  -8.892  10.302
  827    H    TYR 128           H        TYR 128  24.971 -10.569  10.307
  828    HA   TYR 128           HA       TYR 128  24.046 -10.833  13.118
  829   1HB   TYR 128          1HB       TYR 128  22.521 -10.753  10.501
  830   2HB   TYR 128          2HB       TYR 128  21.778 -10.831  12.097
  831    HD1  TYR 128           HD1      TYR 128  23.398  -8.709   9.638
  832    HD2  TYR 128           HD2      TYR 128  22.092  -8.949  13.721
  833    HE1  TYR 128           HE1      TYR 128  23.535  -6.242   9.825
  834    HE2  TYR 128           HE2      TYR 128  22.235  -6.481  13.912
  835    HH   TYR 128           HH       TYR 128  22.590  -4.446  11.194
  836    H    LEU 129           H        LEU 129  23.825 -12.741  10.103
  837    HA   LEU 129           HA       LEU 129  23.131 -15.157  11.728
  838   1HB   LEU 129          1HB       LEU 129  22.619 -14.509   8.817
  839   2HB   LEU 129          2HB       LEU 129  22.144 -15.994   9.629
  840    HG   LEU 129           HG       LEU 129  21.157 -13.198  10.254
  841   1HD1  LEU 129          1HD1      LEU 129  20.059 -13.968   8.302
  842   2HD1  LEU 129          2HD1      LEU 129  18.943 -14.370   9.607
  843   3HD1  LEU 129          3HD1      LEU 129  19.963 -15.626   8.900
  844   1HD2  LEU 129          1HD2      LEU 129  21.104 -14.215  12.360
  845   2HD2  LEU 129          2HD2      LEU 129  20.829 -15.824  11.690
  846   3HD2  LEU 129          3HD2      LEU 129  19.517 -14.645  11.725
  847    H    GLY 130           H        GLY 130  25.860 -14.417  11.449
  848   1HA   GLY 130          1HA       GLY 130  27.127 -15.651   9.211
  849   2HA   GLY 130          2HA       GLY 130  27.912 -15.304  10.748
  850    H    ALA 131           H        ALA 131  25.093 -17.453  10.236
  851    HA   ALA 131           HA       ALA 131  26.780 -19.840  10.579
  852   1HB   ALA 131          1HB       ALA 131  24.915 -18.807  12.709
  853   2HB   ALA 131          2HB       ALA 131  26.547 -19.449  12.883
  854   3HB   ALA 131          3HB       ALA 131  25.203 -20.541  12.548
  855    H    SER 132           H        SER 132  23.327 -18.857  10.870
  856    HA   SER 132           HA       SER 132  22.600 -21.192   9.162
  857   1HB   SER 132          1HB       SER 132  21.391 -20.707  11.342
  858   2HB   SER 132          2HB       SER 132  20.748 -19.255  10.576
  859    HG   SER 132           HG       SER 132  20.295 -21.957   9.948
  860    H    THR 133           H        THR 133  23.947 -18.944   7.955
  861    HA   THR 133           HA       THR 133  21.999 -17.226   6.689
  862    HB   THR 133           HB       THR 133  24.602 -17.549   5.302
  863    HG1  THR 133           HG1      THR 133  25.394 -18.054   7.264
  864   1HG2  THR 133          1HG2      THR 133  22.887 -15.592   5.258
  865   2HG2  THR 133          2HG2      THR 133  24.607 -15.206   5.328
  866   3HG2  THR 133          3HG2      THR 133  23.624 -15.124   6.790
  867    HA   PRO 134           HA       PRO 134  21.166 -20.434   3.526
  868   1HB   PRO 134          1HB       PRO 134  18.924 -19.371   2.459
  869   2HB   PRO 134          2HB       PRO 134  18.917 -20.123   4.063
  870   1HG   PRO 134          1HG       PRO 134  19.012 -17.227   3.322
  871   2HG   PRO 134          2HG       PRO 134  18.080 -18.028   4.599
  872   1HD   PRO 134          1HD       PRO 134  20.492 -16.700   5.016
  873   2HD   PRO 134          2HD       PRO 134  19.857 -17.961   6.089
  874    H    ASP 135           H        ASP 135  20.436 -20.052   1.018
  875    HA   ASP 135           HA       ASP 135  22.394 -18.092  -0.097
  876   1HB   ASP 135          1HB       ASP 135  22.573 -20.587  -0.610
  877   2HB   ASP 135          2HB       ASP 135  21.098 -20.406  -1.553
  878    H    LEU 136           H        LEU 136  21.621 -16.423  -1.195
  879    HA   LEU 136           HA       LEU 136  18.707 -16.158  -1.614
  880   1HB   LEU 136          1HB       LEU 136  20.961 -14.188  -2.085
  881   2HB   LEU 136          2HB       LEU 136  19.242 -13.820  -2.198
  882    HG   LEU 136           HG       LEU 136  20.662 -14.801   0.298
  883   1HD1  LEU 136          1HD1      LEU 136  21.192 -12.448  -0.486
  884   2HD1  LEU 136          2HD1      LEU 136  20.446 -12.542   1.110
  885   3HD1  LEU 136          3HD1      LEU 136  19.480 -12.073  -0.289
  886   1HD2  LEU 136          1HD2      LEU 136  17.789 -14.192  -0.377
  887   2HD2  LEU 136          2HD2      LEU 136  18.374 -13.901   1.260
  888   3HD2  LEU 136          3HD2      LEU 136  18.453 -15.522   0.579
  889    H    GLN 137           H        GLN 137  17.718 -16.156  -3.562
  890    HA   GLN 137           HA       GLN 137  19.389 -16.298  -6.041
  891   1HB   GLN 137          1HB       GLN 137  16.826 -17.866  -5.696
  892   2HB   GLN 137          2HB       GLN 137  18.110 -18.101  -6.879
  893   1HG   GLN 137          1HG       GLN 137  18.299 -18.611  -3.898
  894   2HG   GLN 137          2HG       GLN 137  18.241 -19.836  -5.164
  895   1HE2  GLN 137          1HE2      GLN 137  20.452 -18.554  -3.139
  896   2HE2  GLN 137          2HE2      GLN 137  21.820 -18.552  -4.131
  897   1H5*  ATP   1          1H5*      ATP   1   9.123   2.388  20.492
  898   2H5*  ATP   1          2H5*      ATP   1  10.580   2.870  21.326
  899    H4*  ATP   1           H4*      ATP   1  10.501   4.450  18.872
  900    H3*  ATP   1           H3*      ATP   1  10.033   5.089  21.819
  901   *HO3  ATP   1          *HO3      ATP   1  12.142   4.993  20.419
  902    H2*  ATP   1           H2*      ATP   1   8.974   7.104  21.279
  903   *HO2  ATP   1          *HO2      ATP   1  11.021   7.125  19.832
  904    H1*  ATP   1           H1*      ATP   1   8.174   6.343  18.586
  905    H8   ATP   1           H8       ATP   1   5.708   6.905  18.655
  906    H2   ATP   1           H2       ATP   1   7.137   4.114  24.285
  907   1HN6  ATP   1          1HN6      ATP   1   2.889   5.315  23.995
  908   2HN6  ATP   1          2HN6      ATP   1   2.633   6.141  22.463
  Start of MODEL   20
    1   1H    GLY  17          1H        GLY  17  46.515  29.879 -26.126
    2   2H    GLY  17          2H        GLY  17  45.786  28.578 -26.940
    3   3H    GLY  17          3H        GLY  17  47.476  28.748 -26.949
    4   1HA   GLY  17          1HA       GLY  17  46.709  27.004 -25.411
    5   2HA   GLY  17          2HA       GLY  17  47.609  28.295 -24.615
    6    H    ALA  18           H        ALA  18  45.911  30.282 -24.189
    7    HA   ALA  18           HA       ALA  18  43.243  29.488 -23.433
    8   1HB   ALA  18          1HB       ALA  18  45.426  29.473 -21.359
    9   2HB   ALA  18          2HB       ALA  18  44.117  28.316 -21.594
   10   3HB   ALA  18          3HB       ALA  18  43.779  29.898 -20.895
   11    HA   PRO  19           HA       PRO  19  42.366  33.831 -23.606
   12   1HB   PRO  19          1HB       PRO  19  41.546  33.498 -20.725
   13   2HB   PRO  19          2HB       PRO  19  40.731  34.394 -22.024
   14   1HG   PRO  19          1HG       PRO  19  39.927  31.944 -21.292
   15   2HG   PRO  19          2HG       PRO  19  39.873  32.473 -22.981
   16   1HD   PRO  19          1HD       PRO  19  41.676  30.485 -21.705
   17   2HD   PRO  19          2HD       PRO  19  41.266  30.689 -23.420
   18    H    GLU  20           H        GLU  20  43.673  32.979 -20.370
   19    HA   GLU  20           HA       GLU  20  46.008  34.681 -20.805
   20   1HB   GLU  20          1HB       GLU  20  45.369  35.993 -18.604
   21   2HB   GLU  20          2HB       GLU  20  44.713  36.517 -20.154
   22   1HG   GLU  20          1HG       GLU  20  42.977  36.372 -18.359
   23   2HG   GLU  20          2HG       GLU  20  42.633  35.326 -19.735
   24    H    GLY  21           H        GLY  21  44.644  31.998 -19.592
   25   1HA   GLY  21          1HA       GLY  21  46.813  30.911 -18.307
   26   2HA   GLY  21          2HA       GLY  21  46.031  31.831 -17.022
   27    HA   PRO  22           HA       PRO  22  43.911  27.644 -17.700
   28   1HB   PRO  22          1HB       PRO  22  44.908  26.244 -15.591
   29   2HB   PRO  22          2HB       PRO  22  45.755  26.338 -17.147
   30   1HG   PRO  22          1HG       PRO  22  46.236  27.892 -14.633
   31   2HG   PRO  22          2HG       PRO  22  47.408  27.125 -15.717
   32   1HD   PRO  22          1HD       PRO  22  46.821  29.816 -15.800
   33   2HD   PRO  22          2HD       PRO  22  47.355  28.900 -17.226
   34    H    GLY  23           H        GLY  23  44.463  27.511 -14.277
   35   1HA   GLY  23          1HA       GLY  23  42.714  29.249 -13.090
   36   2HA   GLY  23          2HA       GLY  23  41.625  28.038 -13.764
   37    HA   PRO  24           HA       PRO  24  42.126  24.960 -10.651
   38   1HB   PRO  24          1HB       PRO  24  44.140  23.547 -12.387
   39   2HB   PRO  24          2HB       PRO  24  42.771  22.872 -11.481
   40   1HG   PRO  24          1HG       PRO  24  42.610  23.291 -14.110
   41   2HG   PRO  24          2HG       PRO  24  41.222  23.585 -13.049
   42   1HD   PRO  24          1HD       PRO  24  42.990  25.561 -14.429
   43   2HD   PRO  24          2HD       PRO  24  41.301  25.734 -13.909
   44    H    SER  25           H        SER  25  43.376  24.838  -8.792
   45    HA   SER  25           HA       SER  25  46.264  24.919  -8.812
   46   1HB   SER  25          1HB       SER  25  45.600  27.331  -9.346
   47   2HB   SER  25          2HB       SER  25  44.935  27.406  -7.714
   48    HG   SER  25           HG       SER  25  47.119  26.559  -7.105
   49    H    GLY  26           H        GLY  26  43.565  23.886  -7.513
   50   1HA   GLY  26          1HA       GLY  26  44.743  23.077  -5.030
   51   2HA   GLY  26          2HA       GLY  26  43.628  24.412  -4.738
   52    H    GLY  27           H        GLY  27  41.662  23.830  -6.658
   53   1HA   GLY  27          1HA       GLY  27  40.233  21.688  -5.306
   54   2HA   GLY  27          2HA       GLY  27  39.639  22.617  -6.682
   55    H    ALA  28           H        ALA  28  42.387  20.378  -6.127
   56    HA   ALA  28           HA       ALA  28  42.255  19.339  -8.819
   57   1HB   ALA  28          1HB       ALA  28  43.862  17.642  -7.989
   58   2HB   ALA  28          2HB       ALA  28  43.579  18.196  -6.339
   59   3HB   ALA  28          3HB       ALA  28  44.339  19.272  -7.512
   60    H    GLN  29           H        GLN  29  41.206  18.061  -5.653
   61    HA   GLN  29           HA       GLN  29  40.040  15.675  -6.847
   62   1HB   GLN  29          1HB       GLN  29  40.785  15.518  -4.569
   63   2HB   GLN  29          2HB       GLN  29  39.838  16.921  -4.090
   64   1HG   GLN  29          1HG       GLN  29  38.422  14.546  -5.297
   65   2HG   GLN  29          2HG       GLN  29  38.943  14.461  -3.617
   66   1HE2  GLN  29          1HE2      GLN  29  38.272  17.710  -4.396
   67   2HE2  GLN  29          2HE2      GLN  29  36.687  17.775  -3.796
   68    H    GLY  30           H        GLY  30  37.839  15.291  -7.267
   69   1HA   GLY  30          1HA       GLY  30  36.262  17.490  -8.147
   70   2HA   GLY  30          2HA       GLY  30  35.646  15.860  -7.875
   71    H    GLY  31           H        GLY  31  34.224  15.625  -6.210
   72   1HA   GLY  31          1HA       GLY  31  34.359  16.654  -3.637
   73   2HA   GLY  31          2HA       GLY  31  33.538  17.914  -4.559
   74    H    SER  32           H        SER  32  31.536  17.279  -5.702
   75    HA   SER  32           HA       SER  32  29.918  15.490  -4.053
   76   1HB   SER  32          1HB       SER  32  28.132  16.104  -5.781
   77   2HB   SER  32          2HB       SER  32  28.803  17.444  -4.853
   78    HG   SER  32           HG       SER  32  29.599  16.622  -7.447
   79    H    ILE  33           H        ILE  33  29.886  13.325  -4.389
   80    HA   ILE  33           HA       ILE  33  30.905  12.176  -6.876
   81    HB   ILE  33           HB       ILE  33  29.470  10.686  -4.671
   82   1HG1  ILE  33          1HG1      ILE  33  31.119  12.036  -3.535
   83   2HG1  ILE  33          2HG1      ILE  33  31.775  10.405  -3.669
   84   1HG2  ILE  33          1HG2      ILE  33  31.068   8.896  -5.370
   85   2HG2  ILE  33          2HG2      ILE  33  31.655   9.963  -6.646
   86   3HG2  ILE  33          3HG2      ILE  33  29.986   9.393  -6.671
   87   1HD1  ILE  33          1HD1      ILE  33  33.560  11.834  -4.319
   88   2HD1  ILE  33          2HD1      ILE  33  32.498  12.850  -5.294
   89   3HD1  ILE  33          3HD1      ILE  33  32.904  11.222  -5.837
   90    H    HIS  34           H        HIS  34  29.593  10.630  -8.170
   91    HA   HIS  34           HA       HIS  34  27.152  11.762  -9.072
   92   1HB   HIS  34          1HB       HIS  34  28.513  10.198 -10.425
   93   2HB   HIS  34          2HB       HIS  34  28.090   8.887  -9.324
   94    HD1  HIS  34           HD1      HIS  34  27.000   7.839 -11.601
   95    HD2  HIS  34           HD2      HIS  34  25.073  11.163  -9.985
   96    HE1  HIS  34           HE1      HIS  34  24.687   7.897 -12.631
   97    H    SER  35           H        SER  35  25.177  11.755  -8.122
   98    HA   SER  35           HA       SER  35  24.690  10.110  -5.753
   99   1HB   SER  35          1HB       SER  35  22.847  11.968  -7.289
  100   2HB   SER  35          2HB       SER  35  22.498  11.255  -5.714
  101    HG   SER  35           HG       SER  35  23.441  12.999  -5.019
  102    H    GLY  36           H        GLY  36  25.159   8.470  -7.985
  103   1HA   GLY  36          1HA       GLY  36  22.702   7.641  -9.259
  104   2HA   GLY  36          2HA       GLY  36  24.204   6.718  -9.230
  105    H    ARG  37           H        ARG  37  21.676   7.747  -6.903
  106    HA   ARG  37           HA       ARG  37  21.044   5.023  -6.177
  107   1HB   ARG  37          1HB       ARG  37  23.310   5.375  -5.079
  108   2HB   ARG  37          2HB       ARG  37  22.542   6.603  -4.072
  109   1HG   ARG  37          1HG       ARG  37  20.991   4.971  -3.168
  110   2HG   ARG  37          2HG       ARG  37  21.574   3.737  -4.286
  111   1HD   ARG  37          1HD       ARG  37  23.173   5.060  -2.073
  112   2HD   ARG  37          2HD       ARG  37  22.605   3.391  -2.099
  113    HE   ARG  37           HE       ARG  37  24.214   3.908  -4.422
  114   1HH1  ARG  37          1HH1      ARG  37  24.320   3.461  -1.005
  115   2HH1  ARG  37          2HH1      ARG  37  25.927   2.814  -1.006
  116   1HH2  ARG  37          1HH2      ARG  37  26.311   3.066  -4.443
  117   2HH2  ARG  37          2HH2      ARG  37  27.054   2.590  -2.953
  118    H    ILE  38           H        ILE  38  19.361   4.970  -4.491
  119    HA   ILE  38           HA       ILE  38  18.228   7.616  -3.716
  120    HB   ILE  38           HB       ILE  38  16.622   5.454  -5.131
  121   1HG1  ILE  38          1HG1      ILE  38  17.684   8.142  -6.034
  122   2HG1  ILE  38          2HG1      ILE  38  18.061   6.563  -6.722
  123   1HG2  ILE  38          1HG2      ILE  38  14.758   6.958  -4.996
  124   2HG2  ILE  38          2HG2      ILE  38  15.771   8.276  -4.413
  125   3HG2  ILE  38          3HG2      ILE  38  15.433   6.894  -3.372
  126   1HD1  ILE  38          1HD1      ILE  38  15.439   8.064  -6.853
  127   2HD1  ILE  38          2HD1      ILE  38  15.560   6.345  -7.228
  128   3HD1  ILE  38          3HD1      ILE  38  16.449   7.522  -8.195
  129    H    ALA  39           H        ALA  39  18.582   7.211  -1.559
  130    HA   ALA  39           HA       ALA  39  17.268   4.784  -0.363
  131   1HB   ALA  39          1HB       ALA  39  19.592   4.657   0.122
  132   2HB   ALA  39          2HB       ALA  39  18.857   5.310   1.586
  133   3HB   ALA  39          3HB       ALA  39  19.695   6.383   0.466
  134    H    ALA  40           H        ALA  40  15.349   5.375   0.510
  135    HA   ALA  40           HA       ALA  40  15.249   7.686   2.345
  136   1HB   ALA  40          1HB       ALA  40  13.126   7.549   0.213
  137   2HB   ALA  40          2HB       ALA  40  14.657   8.347  -0.133
  138   3HB   ALA  40          3HB       ALA  40  13.642   8.929   1.184
  139    H    VAL  41           H        VAL  41  12.666   7.805   2.970
  140    HA   VAL  41           HA       VAL  41  12.162   5.274   4.314
  141    HB   VAL  41           HB       VAL  41  10.456   7.769   4.070
  142   1HG1  VAL  41          1HG1      VAL  41  10.224   5.359   5.889
  143   2HG1  VAL  41          2HG1      VAL  41   9.058   5.877   4.669
  144   3HG1  VAL  41          3HG1      VAL  41   9.325   6.858   6.108
  145   1HG2  VAL  41          1HG2      VAL  41  12.452   6.812   6.132
  146   2HG2  VAL  41          2HG2      VAL  41  11.271   8.079   6.465
  147   3HG2  VAL  41          3HG2      VAL  41  12.490   8.320   5.218
  148    H    HIS  42           H        HIS  42  10.524   3.783   3.827
  149    HA   HIS  42           HA       HIS  42   8.766   4.266   1.486
  150   1HB   HIS  42          1HB       HIS  42  11.010   2.272   1.633
  151   2HB   HIS  42          2HB       HIS  42   9.564   1.851   0.719
  152    HD1  HIS  42           HD1      HIS  42   9.470   2.670  -1.624
  153    HD2  HIS  42           HD2      HIS  42  12.201   4.845   0.647
  154    HE1  HIS  42           HE1      HIS  42  10.653   4.229  -3.226
  155    H    ASN  43           H        ASN  43   6.862   3.070   1.617
  156    HA   ASN  43           HA       ASN  43   6.349   1.674   4.155
  157   1HB   ASN  43          1HB       ASN  43   4.635   2.283   1.728
  158   2HB   ASN  43          2HB       ASN  43   4.043   1.402   3.134
  159   1HD2  ASN  43          1HD2      ASN  43   2.766   3.792   2.608
  160   2HD2  ASN  43          2HD2      ASN  43   3.248   4.980   3.716
  161    H    VAL  44           H        VAL  44   7.564  -0.254   4.044
  162    HA   VAL  44           HA       VAL  44   7.360  -1.948   1.651
  163    HB   VAL  44           HB       VAL  44   9.472  -1.614   3.069
  164   1HG1  VAL  44          1HG1      VAL  44   8.204  -2.100   5.243
  165   2HG1  VAL  44          2HG1      VAL  44   9.759  -2.906   5.035
  166   3HG1  VAL  44          3HG1      VAL  44   8.261  -3.798   4.766
  167   1HG2  VAL  44          1HG2      VAL  44  10.194  -3.952   2.701
  168   2HG2  VAL  44          2HG2      VAL  44   9.302  -3.323   1.317
  169   3HG2  VAL  44          3HG2      VAL  44   8.514  -4.421   2.451
  170    HA   PRO  45           HA       PRO  45   3.582  -3.945   3.191
  171   1HB   PRO  45          1HB       PRO  45   4.709  -6.255   1.642
  172   2HB   PRO  45          2HB       PRO  45   3.057  -5.609   1.653
  173   1HG   PRO  45          1HG       PRO  45   4.726  -5.086  -0.353
  174   2HG   PRO  45          2HG       PRO  45   3.607  -3.855   0.252
  175   1HD   PRO  45          1HD       PRO  45   6.568  -4.068   0.636
  176   2HD   PRO  45          2HD       PRO  45   5.541  -2.623   0.541
  177    H    LEU  46           H        LEU  46   3.123  -5.192   4.969
  178    HA   LEU  46           HA       LEU  46   5.258  -6.185   6.603
  179   1HB   LEU  46          1HB       LEU  46   2.298  -6.775   6.693
  180   2HB   LEU  46          2HB       LEU  46   3.435  -7.178   7.965
  181    HG   LEU  46           HG       LEU  46   3.345  -4.317   7.056
  182   1HD1  LEU  46          1HD1      LEU  46   0.992  -4.871   7.229
  183   2HD1  LEU  46          2HD1      LEU  46   1.462  -3.874   8.607
  184   3HD1  LEU  46          3HD1      LEU  46   1.250  -5.613   8.807
  185   1HD2  LEU  46          1HD2      LEU  46   3.701  -5.717   9.725
  186   2HD2  LEU  46          2HD2      LEU  46   3.610  -3.969   9.547
  187   3HD2  LEU  46          3HD2      LEU  46   4.934  -4.859   8.801
  188    H    SER  47           H        SER  47   3.152  -7.611   4.238
  189    HA   SER  47           HA       SER  47   3.502 -10.354   4.885
  190   1HB   SER  47          1HB       SER  47   2.905 -10.696   2.432
  191   2HB   SER  47          2HB       SER  47   1.756  -9.762   3.386
  192    HG   SER  47           HG       SER  47   2.161  -8.672   1.483
  193    H    VAL  48           H        VAL  48   5.667  -8.179   3.127
  194    HA   VAL  48           HA       VAL  48   7.344 -10.521   2.328
  195    HB   VAL  48           HB       VAL  48   8.404  -9.091   0.747
  196   1HG1  VAL  48          1HG1      VAL  48   5.999  -9.883   0.337
  197   2HG1  VAL  48          2HG1      VAL  48   6.588  -8.567  -0.678
  198   3HG1  VAL  48          3HG1      VAL  48   5.519  -8.221   0.678
  199   1HG2  VAL  48          1HG2      VAL  48   8.724  -7.066   2.005
  200   2HG2  VAL  48          2HG2      VAL  48   6.987  -6.829   2.168
  201   3HG2  VAL  48          3HG2      VAL  48   7.752  -6.654   0.594
  202    H    LEU  49           H        LEU  49   7.245  -9.330   5.131
  203    HA   LEU  49           HA       LEU  49   9.973  -8.208   5.389
  204   1HB   LEU  49          1HB       LEU  49   7.780  -8.782   7.406
  205   2HB   LEU  49          2HB       LEU  49   9.373  -8.191   7.856
  206    HG   LEU  49           HG       LEU  49   7.437  -6.768   6.004
  207   1HD1  LEU  49          1HD1      LEU  49   7.125  -5.228   7.872
  208   2HD1  LEU  49          2HD1      LEU  49   8.313  -6.104   8.833
  209   3HD1  LEU  49          3HD1      LEU  49   6.778  -6.867   8.423
  210   1HD2  LEU  49          1HD2      LEU  49   9.496  -5.941   5.302
  211   2HD2  LEU  49          2HD2      LEU  49  10.265  -6.226   6.863
  212   3HD2  LEU  49          3HD2      LEU  49   9.180  -4.854   6.651
  213    H    ILE  50           H        ILE  50  11.677  -9.366   6.176
  214    HA   ILE  50           HA       ILE  50  11.233 -12.284   6.724
  215    HB   ILE  50           HB       ILE  50  13.771 -10.863   5.878
  216   1HG1  ILE  50          1HG1      ILE  50  11.894 -12.600   4.252
  217   2HG1  ILE  50          2HG1      ILE  50  11.937 -10.840   4.162
  218   1HG2  ILE  50          1HG2      ILE  50  14.162 -12.941   7.125
  219   2HG2  ILE  50          2HG2      ILE  50  14.537 -13.185   5.419
  220   3HG2  ILE  50          3HG2      ILE  50  13.023 -13.797   6.085
  221   1HD1  ILE  50          1HD1      ILE  50  14.447 -11.097   3.657
  222   2HD1  ILE  50          2HD1      ILE  50  13.324 -11.568   2.385
  223   3HD1  ILE  50          3HD1      ILE  50  14.094 -12.803   3.380
  224    H    ARG  51           H        ARG  51  11.229 -12.661   8.872
  225    HA   ARG  51           HA       ARG  51  13.337 -11.358  10.562
  226   1HB   ARG  51          1HB       ARG  51  10.467 -11.821  11.411
  227   2HB   ARG  51          2HB       ARG  51  11.738 -11.040  12.349
  228   1HG   ARG  51          1HG       ARG  51  11.907  -9.390  10.352
  229   2HG   ARG  51          2HG       ARG  51  10.338 -10.027   9.872
  230   1HD   ARG  51          1HD       ARG  51   9.849  -8.128  11.209
  231   2HD   ARG  51          2HD       ARG  51   9.564  -9.509  12.261
  232    HE   ARG  51           HE       ARG  51  11.890  -7.648  12.415
  233   1HH1  ARG  51          1HH1      ARG  51  10.108 -10.361  13.654
  234   2HH1  ARG  51          2HH1      ARG  51  10.924 -10.345  15.178
  235   1HH2  ARG  51          1HH2      ARG  51  12.941  -7.645  14.397
  236   2HH2  ARG  51          2HH2      ARG  51  12.519  -8.820  15.597
  237    HA   PRO  52           HA       PRO  52  13.337 -15.838  11.563
  238   1HB   PRO  52          1HB       PRO  52  15.912 -16.371  11.154
  239   2HB   PRO  52          2HB       PRO  52  14.849 -16.040   9.771
  240   1HG   PRO  52          1HG       PRO  52  16.857 -14.260  11.092
  241   2HG   PRO  52          2HG       PRO  52  16.462 -14.427   9.376
  242   1HD   PRO  52          1HD       PRO  52  15.437 -12.443  11.156
  243   2HD   PRO  52          2HD       PRO  52  14.840 -12.792   9.520
  244    H    LEU  53           H        LEU  53  13.698 -13.404  13.401
  245    HA   LEU  53           HA       LEU  53  15.208 -14.815  15.549
  246   1HB   LEU  53          1HB       LEU  53  16.500 -12.952  14.209
  247   2HB   LEU  53          2HB       LEU  53  15.534 -11.843  15.170
  248    HG   LEU  53           HG       LEU  53  17.181 -14.066  16.419
  249   1HD1  LEU  53          1HD1      LEU  53  17.955 -11.179  15.908
  250   2HD1  LEU  53          2HD1      LEU  53  18.672 -12.594  15.130
  251   3HD1  LEU  53          3HD1      LEU  53  18.887 -12.333  16.862
  252   1HD2  LEU  53          1HD2      LEU  53  15.869 -11.533  17.448
  253   2HD2  LEU  53          2HD2      LEU  53  17.040 -12.461  18.382
  254   3HD2  LEU  53          3HD2      LEU  53  15.508 -13.195  17.916
  255    HA   PRO  54           HA       PRO  54  11.199 -13.137  17.117
  256   1HB   PRO  54          1HB       PRO  54  10.617 -15.147  18.870
  257   2HB   PRO  54          2HB       PRO  54  10.281 -15.263  17.132
  258   1HG   PRO  54          1HG       PRO  54  12.527 -16.430  18.714
  259   2HG   PRO  54          2HG       PRO  54  11.609 -17.135  17.375
  260   1HD   PRO  54          1HD       PRO  54  14.122 -15.997  17.111
  261   2HD   PRO  54          2HD       PRO  54  12.961 -16.137  15.774
  262    H    SER  55           H        SER  55  10.552 -12.428  19.350
  263    HA   SER  55           HA       SER  55  12.715 -12.467  21.383
  264   1HB   SER  55          1HB       SER  55  11.857 -10.085  19.798
  265   2HB   SER  55          2HB       SER  55  12.210  -9.830  21.503
  266    HG   SER  55           HG       SER  55  14.164 -11.255  20.803
  267    H    VAL  56           H        VAL  56  11.930 -11.325  23.412
  268    HA   VAL  56           HA       VAL  56   9.137 -12.134  23.940
  269    HB   VAL  56           HB       VAL  56  11.324 -11.052  25.747
  270   1HG1  VAL  56          1HG1      VAL  56   9.242 -10.394  26.720
  271   2HG1  VAL  56          2HG1      VAL  56   9.717 -11.871  27.559
  272   3HG1  VAL  56          3HG1      VAL  56   8.482 -11.929  26.301
  273   1HG2  VAL  56          1HG2      VAL  56  10.181 -13.803  25.221
  274   2HG2  VAL  56          2HG2      VAL  56  11.118 -13.431  26.668
  275   3HG2  VAL  56          3HG2      VAL  56  11.859 -13.281  25.075
  276    H    LEU  57           H        LEU  57   7.665 -10.631  23.299
  277    HA   LEU  57           HA       LEU  57   8.306  -7.766  23.364
  278   1HB   LEU  57          1HB       LEU  57   5.793  -9.205  22.538
  279   2HB   LEU  57          2HB       LEU  57   6.094  -7.490  22.322
  280    HG   LEU  57           HG       LEU  57   7.867  -9.670  21.164
  281   1HD1  LEU  57          1HD1      LEU  57   6.742  -8.913  18.983
  282   2HD1  LEU  57          2HD1      LEU  57   5.518  -8.150  20.000
  283   3HD1  LEU  57          3HD1      LEU  57   5.755  -9.897  20.065
  284   1HD2  LEU  57          1HD2      LEU  57   9.198  -7.777  21.162
  285   2HD2  LEU  57          2HD2      LEU  57   7.833  -6.667  21.065
  286   3HD2  LEU  57          3HD2      LEU  57   8.361  -7.543  19.632
  287    H    ASP  58           H        ASP  58   7.259  -6.263  24.593
  288    HA   ASP  58           HA       ASP  58   5.990  -7.238  27.081
  289   1HB   ASP  58          1HB       ASP  58   7.739  -5.684  27.477
  290   2HB   ASP  58          2HB       ASP  58   7.224  -4.637  26.178
  291    HA   PRO  59           HA       PRO  59   2.105  -6.022  25.107
  292   1HB   PRO  59          1HB       PRO  59   0.383  -6.482  27.158
  293   2HB   PRO  59          2HB       PRO  59   1.173  -7.803  26.275
  294   1HG   PRO  59          1HG       PRO  59   1.908  -6.586  28.912
  295   2HG   PRO  59          2HG       PRO  59   1.819  -8.289  28.453
  296   1HD   PRO  59          1HD       PRO  59   4.185  -6.898  28.533
  297   2HD   PRO  59          2HD       PRO  59   3.908  -8.262  27.429
  298    H    ALA  60           H        ALA  60   3.360  -4.478  27.963
  299    HA   ALA  60           HA       ALA  60   1.285  -2.402  28.033
  300   1HB   ALA  60          1HB       ALA  60   2.855  -1.355  29.724
  301   2HB   ALA  60          2HB       ALA  60   3.921  -2.740  29.484
  302   3HB   ALA  60          3HB       ALA  60   2.299  -2.977  30.136
  303    H    LYS  61           H        LYS  61   4.688  -2.626  26.991
  304    HA   LYS  61           HA       LYS  61   4.838   0.140  26.214
  305   1HB   LYS  61          1HB       LYS  61   6.669  -1.941  26.544
  306   2HB   LYS  61          2HB       LYS  61   6.674  -1.697  24.805
  307   1HG   LYS  61          1HG       LYS  61   7.191   0.675  25.103
  308   2HG   LYS  61          2HG       LYS  61   7.042   0.503  26.851
  309   1HD   LYS  61          1HD       LYS  61   9.415   0.476  26.139
  310   2HD   LYS  61          2HD       LYS  61   8.943  -1.046  26.892
  311   1HE   LYS  61          1HE       LYS  61  10.294  -1.090  24.639
  312   2HE   LYS  61          2HE       LYS  61   8.948  -2.206  24.858
  313   1HZ   LYS  61          1HZ       LYS  61   9.152  -0.686  22.740
  314   2HZ   LYS  61          2HZ       LYS  61   8.366   0.435  23.745
  315   3HZ   LYS  61          3HZ       LYS  61   7.643  -1.066  23.413
  316    H    VAL  62           H        VAL  62   3.834  -2.811  24.559
  317    HA   VAL  62           HA       VAL  62   3.847  -1.646  21.905
  318    HB   VAL  62           HB       VAL  62   2.392  -4.039  23.072
  319   1HG1  VAL  62          1HG1      VAL  62   2.453  -2.925  20.260
  320   2HG1  VAL  62          2HG1      VAL  62   1.042  -3.346  21.230
  321   3HG1  VAL  62          3HG1      VAL  62   2.084  -4.618  20.591
  322   1HG2  VAL  62          1HG2      VAL  62   4.754  -3.806  21.181
  323   2HG2  VAL  62          2HG2      VAL  62   4.062  -5.310  21.790
  324   3HG2  VAL  62          3HG2      VAL  62   4.863  -4.195  22.895
  325    H    GLN  63           H        GLN  63   1.237  -2.277  24.270
  326    HA   GLN  63           HA       GLN  63  -0.899  -1.171  22.833
  327   1HB   GLN  63          1HB       GLN  63  -1.935  -1.782  24.769
  328   2HB   GLN  63          2HB       GLN  63  -0.376  -1.947  25.558
  329   1HG   GLN  63          1HG       GLN  63  -1.741  -0.414  26.838
  330   2HG   GLN  63          2HG       GLN  63  -0.436   0.504  26.097
  331   1HE2  GLN  63          1HE2      GLN  63  -1.106   2.333  24.935
  332   2HE2  GLN  63          2HE2      GLN  63  -2.681   2.595  24.362
  333    H    SER  64           H        SER  64   1.545   0.512  24.798
  334    HA   SER  64           HA       SER  64   0.467   3.139  24.546
  335   1HB   SER  64          1HB       SER  64   2.269   2.692  26.114
  336   2HB   SER  64          2HB       SER  64   3.341   2.203  24.802
  337    HG   SER  64           HG       SER  64   3.873   4.263  25.068
  338    H    LEU  65           H        LEU  65   2.803   1.376  22.491
  339    HA   LEU  65           HA       LEU  65   3.191   3.489  20.608
  340   1HB   LEU  65          1HB       LEU  65   3.538   0.498  20.584
  341   2HB   LEU  65          2HB       LEU  65   3.752   1.406  19.096
  342    HG   LEU  65           HG       LEU  65   5.166   2.339  21.592
  343   1HD1  LEU  65          1HD1      LEU  65   7.129   0.914  20.813
  344   2HD1  LEU  65          2HD1      LEU  65   5.971   0.020  19.826
  345   3HD1  LEU  65          3HD1      LEU  65   5.804   0.038  21.581
  346   1HD2  LEU  65          1HD2      LEU  65   5.817   2.397  18.627
  347   2HD2  LEU  65          2HD2      LEU  65   6.853   3.048  19.895
  348   3HD2  LEU  65          3HD2      LEU  65   5.268   3.760  19.602
  349    H    VAL  66           H        VAL  66   0.910   0.766  20.728
  350    HA   VAL  66           HA       VAL  66  -0.363   1.143  18.239
  351    HB   VAL  66           HB       VAL  66  -1.300   0.123  20.927
  352   1HG1  VAL  66          1HG1      VAL  66  -3.330   0.953  19.998
  353   2HG1  VAL  66          2HG1      VAL  66  -3.307  -0.772  19.630
  354   3HG1  VAL  66          3HG1      VAL  66  -2.899   0.403  18.380
  355   1HG2  VAL  66          1HG2      VAL  66   0.262  -1.284  19.695
  356   2HG2  VAL  66          2HG2      VAL  66  -0.737  -1.171  18.245
  357   3HG2  VAL  66          3HG2      VAL  66  -1.336  -2.029  19.663
  358    H    ASP  67           H        ASP  67  -0.702   2.866  21.294
  359    HA   ASP  67           HA       ASP  67  -3.023   4.407  20.442
  360   1HB   ASP  67          1HB       ASP  67  -1.114   4.477  22.772
  361   2HB   ASP  67          2HB       ASP  67  -2.171   5.852  22.486
  362    H    THR  68           H        THR  68   0.492   4.844  20.386
  363    HA   THR  68           HA       THR  68   0.450   7.634  19.698
  364    HB   THR  68           HB       THR  68   2.582   5.661  18.853
  365    HG1  THR  68           HG1      THR  68   1.694   6.281  21.338
  366   1HG2  THR  68          1HG2      THR  68   2.820   8.502  19.854
  367   2HG2  THR  68          2HG2      THR  68   2.624   8.104  18.148
  368   3HG2  THR  68          3HG2      THR  68   4.045   7.542  19.026
  369    H    ILE  69           H        ILE  69   0.819   4.698  17.701
  370    HA   ILE  69           HA       ILE  69   0.877   5.994  15.183
  371    HB   ILE  69           HB       ILE  69  -0.318   3.279  15.827
  372   1HG1  ILE  69          1HG1      ILE  69   2.532   4.176  15.305
  373   2HG1  ILE  69          2HG1      ILE  69   1.919   3.378  16.745
  374   1HG2  ILE  69          1HG2      ILE  69   0.142   2.740  13.519
  375   2HG2  ILE  69          2HG2      ILE  69   1.014   4.253  13.281
  376   3HG2  ILE  69          3HG2      ILE  69  -0.732   4.268  13.514
  377   1HD1  ILE  69          1HD1      ILE  69   3.056   1.705  15.457
  378   2HD1  ILE  69          2HD1      ILE  69   2.216   2.182  13.983
  379   3HD1  ILE  69          3HD1      ILE  69   1.330   1.397  15.289
  380    H    ARG  70           H        ARG  70  -1.872   4.865  17.137
  381    HA   ARG  70           HA       ARG  70  -3.838   5.692  15.150
  382   1HB   ARG  70          1HB       ARG  70  -3.867   4.453  17.858
  383   2HB   ARG  70          2HB       ARG  70  -5.282   5.422  17.482
  384   1HG   ARG  70          1HG       ARG  70  -5.527   4.112  15.344
  385   2HG   ARG  70          2HG       ARG  70  -4.215   3.070  15.895
  386   1HD   ARG  70          1HD       ARG  70  -6.464   2.138  16.441
  387   2HD   ARG  70          2HD       ARG  70  -5.503   2.455  17.885
  388    HE   ARG  70           HE       ARG  70  -7.134   4.742  17.240
  389   1HH1  ARG  70          1HH1      ARG  70  -7.166   1.541  18.521
  390   2HH1  ARG  70          2HH1      ARG  70  -8.544   1.817  19.533
  391   1HH2  ARG  70          1HH2      ARG  70  -8.934   5.120  18.554
  392   2HH2  ARG  70          2HH2      ARG  70  -9.545   3.843  19.552
  393    H    GLU  71           H        GLU  71  -2.388   7.189  18.012
  394    HA   GLU  71           HA       GLU  71  -4.297   9.424  17.953
  395   1HB   GLU  71          1HB       GLU  71  -3.276   8.500  20.075
  396   2HB   GLU  71          2HB       GLU  71  -1.736   9.176  19.550
  397   1HG   GLU  71          1HG       GLU  71  -2.762  10.792  21.009
  398   2HG   GLU  71          2HG       GLU  71  -2.898  11.418  19.367
  399    H    ASP  72           H        ASP  72  -0.964   8.784  16.969
  400    HA   ASP  72           HA       ASP  72  -1.023  11.207  15.294
  401   1HB   ASP  72          1HB       ASP  72  -0.175  11.841  17.627
  402   2HB   ASP  72          2HB       ASP  72   1.242  10.864  17.254
  403    HA   PRO  73           HA       PRO  73   1.181   7.540  13.467
  404   1HB   PRO  73          1HB       PRO  73   0.522   8.167  10.838
  405   2HB   PRO  73          2HB       PRO  73  -0.444   7.133  11.904
  406   1HG   PRO  73          1HG       PRO  73  -0.804  10.017  11.225
  407   2HG   PRO  73          2HG       PRO  73  -2.021   8.751  11.436
  408   1HD   PRO  73          1HD       PRO  73  -1.538  10.595  13.343
  409   2HD   PRO  73          2HD       PRO  73  -2.003   8.941  13.761
  410    H    ASP  74           H        ASP  74   1.478  10.974  12.861
  411    HA   ASP  74           HA       ASP  74   3.912  10.662  11.240
  412   1HB   ASP  74          1HB       ASP  74   2.427  13.055  12.341
  413   2HB   ASP  74          2HB       ASP  74   3.974  13.207  11.508
  414    H    SER  75           H        SER  75   3.109  11.203  14.624
  415    HA   SER  75           HA       SER  75   5.778  12.128  15.352
  416   1HB   SER  75          1HB       SER  75   3.582  10.988  17.110
  417   2HB   SER  75          2HB       SER  75   4.984  11.911  17.653
  418    HG   SER  75           HG       SER  75   3.204  12.949  15.735
  419    H    VAL  76           H        VAL  76   5.162   9.371  13.992
  420    HA   VAL  76           HA       VAL  76   6.730   7.687  15.914
  421    HB   VAL  76           HB       VAL  76   4.984   6.566  13.721
  422   1HG1  VAL  76          1HG1      VAL  76   4.980   4.599  15.045
  423   2HG1  VAL  76          2HG1      VAL  76   5.516   5.460  16.487
  424   3HG1  VAL  76          3HG1      VAL  76   6.639   5.187  15.152
  425   1HG2  VAL  76          1HG2      VAL  76   3.202   6.396  15.551
  426   2HG2  VAL  76          2HG2      VAL  76   3.449   7.995  14.851
  427   3HG2  VAL  76          3HG2      VAL  76   4.135   7.607  16.428
  428    HA   PRO  77           HA       PRO  77   9.495   8.155  12.329
  429   1HB   PRO  77          1HB       PRO  77  11.804   7.237  13.490
  430   2HB   PRO  77          2HB       PRO  77  11.161   8.866  13.747
  431   1HG   PRO  77          1HG       PRO  77  11.032   6.460  15.505
  432   2HG   PRO  77          2HG       PRO  77  11.216   8.165  15.944
  433   1HD   PRO  77          1HD       PRO  77   8.821   6.729  16.081
  434   2HD   PRO  77          2HD       PRO  77   8.929   8.501  16.010
  435    HA   PRO  78           HA       PRO  78   9.660   4.031  10.656
  436   1HB   PRO  78          1HB       PRO  78  11.627   4.241   8.800
  437   2HB   PRO  78          2HB       PRO  78  10.089   5.104   8.641
  438   1HG   PRO  78          1HG       PRO  78  12.740   6.109   9.603
  439   2HG   PRO  78          2HG       PRO  78  11.582   6.879   8.508
  440   1HD   PRO  78          1HD       PRO  78  11.781   7.502  11.186
  441   2HD   PRO  78          2HD       PRO  78  10.288   7.692  10.253
  442    H    ILE  79           H        ILE  79  11.216   2.177  10.188
  443    HA   ILE  79           HA       ILE  79  13.336   2.057  12.313
  444    HB   ILE  79           HB       ILE  79  13.011  -0.472  11.970
  445   1HG1  ILE  79          1HG1      ILE  79  10.363   0.405  10.797
  446   2HG1  ILE  79          2HG1      ILE  79  11.732  -0.018   9.770
  447   1HG2  ILE  79          1HG2      ILE  79  10.751  -0.362  13.265
  448   2HG2  ILE  79          2HG2      ILE  79  10.953   1.386  13.165
  449   3HG2  ILE  79          3HG2      ILE  79  12.165   0.403  13.987
  450   1HD1  ILE  79          1HD1      ILE  79  10.323  -1.984  10.094
  451   2HD1  ILE  79          2HD1      ILE  79  10.432  -1.802  11.845
  452   3HD1  ILE  79          3HD1      ILE  79  11.867  -2.225  10.911
  453    H    ASP  80           H        ASP  80  15.191   0.554  11.699
  454    HA   ASP  80           HA       ASP  80  16.089   1.255   8.959
  455   1HB   ASP  80          1HB       ASP  80  17.523   1.495  11.101
  456   2HB   ASP  80          2HB       ASP  80  17.687  -0.259  11.033
  457    H    VAL  81           H        VAL  81  16.281  -0.250   7.349
  458    HA   VAL  81           HA       VAL  81  16.017  -3.148   8.021
  459    HB   VAL  81           HB       VAL  81  14.251  -1.495   6.211
  460   1HG1  VAL  81          1HG1      VAL  81  13.370  -3.718   5.351
  461   2HG1  VAL  81          2HG1      VAL  81  14.837  -4.455   5.987
  462   3HG1  VAL  81          3HG1      VAL  81  14.943  -3.237   4.717
  463   1HG2  VAL  81          1HG2      VAL  81  12.496  -2.858   7.347
  464   2HG2  VAL  81          2HG2      VAL  81  13.473  -1.930   8.485
  465   3HG2  VAL  81          3HG2      VAL  81  13.760  -3.659   8.282
  466    H    LEU  82           H        LEU  82  17.276  -4.456   6.762
  467    HA   LEU  82           HA       LEU  82  19.193  -3.139   4.958
  468   1HB   LEU  82          1HB       LEU  82  18.942  -6.054   5.752
  469   2HB   LEU  82          2HB       LEU  82  20.318  -5.319   4.934
  470    HG   LEU  82           HG       LEU  82  19.403  -4.181   7.578
  471   1HD1  LEU  82          1HD1      LEU  82  20.863  -5.732   8.774
  472   2HD1  LEU  82          2HD1      LEU  82  21.252  -6.563   7.267
  473   3HD1  LEU  82          3HD1      LEU  82  19.613  -6.632   7.914
  474   1HD2  LEU  82          1HD2      LEU  82  21.156  -3.046   6.206
  475   2HD2  LEU  82          2HD2      LEU  82  22.140  -4.505   6.311
  476   3HD2  LEU  82          3HD2      LEU  82  21.763  -3.588   7.769
  477    H    TRP  83           H        TRP  83  19.323  -3.468   2.762
  478    HA   TRP  83           HA       TRP  83  17.089  -4.990   1.454
  479   1HB   TRP  83          1HB       TRP  83  16.974  -2.543   1.183
  480   2HB   TRP  83          2HB       TRP  83  18.619  -2.524   0.591
  481    HD1  TRP  83           HD1      TRP  83  16.658  -5.416  -0.815
  482    HE1  TRP  83           HE1      TRP  83  16.021  -4.870  -3.263
  483    HE3  TRP  83           HE3      TRP  83  17.864  -0.477  -0.942
  484    HZ2  TRP  83           HZ2      TRP  83  16.042  -2.614  -5.036
  485    HZ3  TRP  83           HZ3      TRP  83  17.560   0.857  -3.017
  486    HH2  TRP  83           HH2      TRP  83  16.659  -0.214  -5.060
  487    H    ILE  84           H        ILE  84  17.971  -6.873   0.639
  488    HA   ILE  84           HA       ILE  84  20.624  -6.697  -0.762
  489    HB   ILE  84           HB       ILE  84  19.703  -9.043   0.919
  490   1HG1  ILE  84          1HG1      ILE  84  21.599  -6.776   1.598
  491   2HG1  ILE  84          2HG1      ILE  84  20.056  -7.110   2.382
  492   1HG2  ILE  84          1HG2      ILE  84  21.387  -9.362  -0.977
  493   2HG2  ILE  84          2HG2      ILE  84  21.941  -9.849   0.624
  494   3HG2  ILE  84          3HG2      ILE  84  22.472  -8.313  -0.062
  495   1HD1  ILE  84          1HD1      ILE  84  22.575  -8.780   2.450
  496   2HD1  ILE  84          2HD1      ILE  84  21.006  -9.416   2.944
  497   3HD1  ILE  84          3HD1      ILE  84  21.717  -8.054   3.810
  498    H    LYS  85           H        LYS  85  20.804  -7.935  -2.620
  499    HA   LYS  85           HA       LYS  85  18.266  -9.176  -3.624
  500   1HB   LYS  85          1HB       LYS  85  20.534  -7.696  -4.937
  501   2HB   LYS  85          2HB       LYS  85  19.630  -8.876  -5.885
  502   1HG   LYS  85          1HG       LYS  85  17.544  -7.727  -5.366
  503   2HG   LYS  85          2HG       LYS  85  18.417  -6.584  -4.349
  504   1HD   LYS  85          1HD       LYS  85  19.461  -5.535  -6.167
  505   2HD   LYS  85          2HD       LYS  85  19.210  -6.920  -7.226
  506   1HE   LYS  85          1HE       LYS  85  17.660  -5.245  -7.938
  507   2HE   LYS  85          2HE       LYS  85  16.707  -6.435  -7.062
  508   1HZ   LYS  85          1HZ       LYS  85  17.350  -4.853  -5.070
  509   2HZ   LYS  85          2HZ       LYS  85  15.991  -4.562  -6.049
  510   3HZ   LYS  85          3HZ       LYS  85  17.438  -3.711  -6.322
  511    H    GLY  86           H        GLY  86  18.465 -11.123  -4.872
  512   1HA   GLY  86          1HA       GLY  86  20.659 -12.870  -3.873
  513   2HA   GLY  86          2HA       GLY  86  19.120 -13.426  -4.522
  514    H    ALA  87           H        ALA  87  20.672 -14.831  -5.759
  515    HA   ALA  87           HA       ALA  87  22.360 -13.718  -7.800
  516   1HB   ALA  87          1HB       ALA  87  22.118 -16.125  -8.752
  517   2HB   ALA  87          2HB       ALA  87  21.187 -16.450  -7.288
  518   3HB   ALA  87          3HB       ALA  87  22.867 -15.931  -7.166
  519    H    GLN  88           H        GLN  88  18.975 -13.794  -7.606
  520    HA   GLN  88           HA       GLN  88  18.767 -13.470 -10.588
  521   1HB   GLN  88          1HB       GLN  88  16.632 -14.737  -8.859
  522   2HB   GLN  88          2HB       GLN  88  16.720 -14.699 -10.622
  523   1HG   GLN  88          1HG       GLN  88  18.943 -15.963 -10.379
  524   2HG   GLN  88          2HG       GLN  88  18.473 -16.244  -8.702
  525   1HE2  GLN  88          1HE2      GLN  88  18.583 -18.608  -9.725
  526   2HE2  GLN  88          2HE2      GLN  88  17.118 -19.194 -10.342
  527    H    GLY  89           H        GLY  89  19.088 -11.338  -8.699
  528   1HA   GLY  89          1HA       GLY  89  18.174  -9.218  -8.344
  529   2HA   GLY  89          2HA       GLY  89  16.951  -9.641  -9.529
  530    H    GLY  90           H        GLY  90  16.472 -12.052  -7.484
  531   1HA   GLY  90          1HA       GLY  90  14.083 -11.162  -6.391
  532   2HA   GLY  90          2HA       GLY  90  15.044 -12.447  -5.674
  533    H    ASP  91           H        ASP  91  13.879  -9.333  -5.232
  534    HA   ASP  91           HA       ASP  91  15.981  -8.384  -3.446
  535   1HB   ASP  91          1HB       ASP  91  13.243  -7.406  -4.241
  536   2HB   ASP  91          2HB       ASP  91  14.031  -6.717  -2.830
  537    H    TYR  92           H        TYR  92  16.083  -8.701  -1.282
  538    HA   TYR  92           HA       TYR  92  13.769 -10.023   0.101
  539   1HB   TYR  92          1HB       TYR  92  16.725 -10.655   0.415
  540   2HB   TYR  92          2HB       TYR  92  15.419 -11.379   1.355
  541    HD1  TYR  92           HD1      TYR  92  17.132 -11.312  -1.893
  542    HD2  TYR  92           HD2      TYR  92  13.761 -12.882   0.258
  543    HE1  TYR  92           HE1      TYR  92  16.774 -12.990  -3.673
  544    HE2  TYR  92           HE2      TYR  92  13.407 -14.561  -1.525
  545    HH   TYR  92           HH       TYR  92  15.686 -15.317  -3.814
  546    H    PHE  93           H        PHE  93  13.132  -8.826   1.840
  547    HA   PHE  93           HA       PHE  93  14.952  -6.693   2.829
  548   1HB   PHE  93          1HB       PHE  93  11.975  -7.098   3.279
  549   2HB   PHE  93          2HB       PHE  93  12.917  -5.694   3.750
  550    HD1  PHE  93           HD1      PHE  93  11.083  -7.276   1.082
  551    HD2  PHE  93           HD2      PHE  93  14.103  -4.328   1.914
  552    HE1  PHE  93           HE1      PHE  93  10.772  -6.315  -1.178
  553    HE2  PHE  93           HE2      PHE  93  13.787  -3.377  -0.347
  554    HZ   PHE  93           HZ       PHE  93  12.124  -4.366  -1.894
  555    H    TYR  94           H        TYR  94  16.011  -7.032   4.659
  556    HA   TYR  94           HA       TYR  94  15.003  -9.047   6.626
  557   1HB   TYR  94          1HB       TYR  94  17.713  -8.184   5.692
  558   2HB   TYR  94          2HB       TYR  94  17.571  -8.606   7.397
  559    HD1  TYR  94           HD1      TYR  94  17.174 -10.854   8.112
  560    HD2  TYR  94           HD2      TYR  94  17.183  -9.853   3.937
  561    HE1  TYR  94           HE1      TYR  94  17.224 -13.265   7.526
  562    HE2  TYR  94           HE2      TYR  94  17.236 -12.259   3.356
  563    HH   TYR  94           HH       TYR  94  17.616 -14.345   4.191
  564    H    SER  95           H        SER  95  14.558  -8.384   8.678
  565    HA   SER  95           HA       SER  95  15.238  -5.561   9.441
  566   1HB   SER  95          1HB       SER  95  12.706  -6.340   8.892
  567   2HB   SER  95          2HB       SER  95  12.773  -6.785  10.591
  568    HG   SER  95           HG       SER  95  12.951  -4.758  11.149
  569    H    PHE  96           H        PHE  96  16.288  -5.411  11.334
  570    HA   PHE  96           HA       PHE  96  16.157  -7.674  13.290
  571   1HB   PHE  96          1HB       PHE  96  18.583  -6.175  12.276
  572   2HB   PHE  96          2HB       PHE  96  18.571  -7.089  13.784
  573    HD1  PHE  96           HD1      PHE  96  17.663  -9.547  13.624
  574    HD2  PHE  96           HD2      PHE  96  19.095  -7.296  10.279
  575    HE1  PHE  96           HE1      PHE  96  18.069 -11.655  12.385
  576    HE2  PHE  96           HE2      PHE  96  19.514  -9.390   9.037
  577    HZ   PHE  96           HZ       PHE  96  18.995 -11.575  10.088
  578    H    GLY  97           H        GLY  97  14.680  -6.371  14.457
  579   1HA   GLY  97          1HA       GLY  97  15.134  -4.978  16.624
  580   2HA   GLY  97          2HA       GLY  97  15.612  -3.729  15.469
  581    H    GLY  98           H        GLY  98  13.779  -2.418  16.251
  582   1HA   GLY  98          1HA       GLY  98  11.520  -1.723  16.234
  583   2HA   GLY  98          2HA       GLY  98  11.541  -2.398  14.609
  584    H    CYS  99           H        CYS  99  12.227  -4.704  17.029
  585    HA   CYS  99           HA       CYS  99  10.127  -6.431  16.382
  586   1HB   CYS  99          1HB       CYS  99  12.216  -6.805  17.905
  587   2HB   CYS  99          2HB       CYS  99  11.159  -6.314  19.214
  588    HG   CYS  99           HG       CYS  99   9.799  -8.432  17.549
  589    H    HIS 100           H        HIS 100  10.166  -3.940  18.944
  590    HA   HIS 100           HA       HIS 100   7.453  -4.575  19.779
  591   1HB   HIS 100          1HB       HIS 100   9.457  -2.424  20.427
  592   2HB   HIS 100          2HB       HIS 100   7.780  -2.214  20.915
  593    HD1  HIS 100           HD1      HIS 100  10.583  -4.777  21.258
  594    HD2  HIS 100           HD2      HIS 100   7.120  -3.586  23.262
  595    HE1  HIS 100           HE1      HIS 100  10.497  -6.120  23.408
  596    H    ARG 101           H        ARG 101   8.867  -1.770  18.019
  597    HA   ARG 101           HA       ARG 101   6.424  -0.499  17.426
  598   1HB   ARG 101          1HB       ARG 101   8.811  -0.651  15.560
  599   2HB   ARG 101          2HB       ARG 101   7.576   0.607  15.612
  600   1HG   ARG 101          1HG       ARG 101   8.249   1.027  18.006
  601   2HG   ARG 101          2HG       ARG 101   9.598  -0.069  17.765
  602   1HD   ARG 101          1HD       ARG 101   9.245   2.192  15.815
  603   2HD   ARG 101          2HD       ARG 101   9.906   2.547  17.409
  604    HE   ARG 101           HE       ARG 101  11.203   0.294  16.051
  605   1HH1  ARG 101          1HH1      ARG 101  11.063   3.693  16.626
  606   2HH1  ARG 101          2HH1      ARG 101  12.735   3.958  16.259
  607   1HH2  ARG 101          1HH2      ARG 101  13.389   0.624  15.571
  608   2HH2  ARG 101          2HH2      ARG 101  14.050   2.222  15.661
  609    H    TYR 102           H        TYR 102   7.898  -3.334  16.039
  610    HA   TYR 102           HA       TYR 102   6.230  -3.519  13.690
  611   1HB   TYR 102          1HB       TYR 102   8.213  -4.847  13.697
  612   2HB   TYR 102          2HB       TYR 102   7.845  -5.536  15.272
  613    HD1  TYR 102           HD1      TYR 102   6.083  -7.216  15.540
  614    HD2  TYR 102           HD2      TYR 102   7.184  -5.741  11.659
  615    HE1  TYR 102           HE1      TYR 102   4.917  -9.129  14.488
  616    HE2  TYR 102           HE2      TYR 102   6.023  -7.664  10.608
  617    HH   TYR 102           HH       TYR 102   5.412 -10.177  11.531
  618    H    ALA 103           H        ALA 103   5.966  -4.816  16.993
  619    HA   ALA 103           HA       ALA 103   3.602  -6.353  16.624
  620   1HB   ALA 103          1HB       ALA 103   3.397  -6.347  18.991
  621   2HB   ALA 103          2HB       ALA 103   4.218  -4.793  19.137
  622   3HB   ALA 103          3HB       ALA 103   5.130  -6.234  18.688
  623    H    ALA 104           H        ALA 104   4.006  -2.912  17.477
  624    HA   ALA 104           HA       ALA 104   1.249  -2.338  17.854
  625   1HB   ALA 104          1HB       ALA 104   1.961   0.034  17.151
  626   2HB   ALA 104          2HB       ALA 104   3.581  -0.636  16.960
  627   3HB   ALA 104          3HB       ALA 104   2.795  -0.664  18.539
  628    H    TYR 105           H        TYR 105   3.253  -2.197  14.904
  629    HA   TYR 105           HA       TYR 105   1.096  -1.326  13.205
  630   1HB   TYR 105          1HB       TYR 105   3.876  -2.380  12.862
  631   2HB   TYR 105          2HB       TYR 105   2.809  -2.528  11.475
  632    HD1  TYR 105           HD1      TYR 105   4.603  -0.205  13.675
  633    HD2  TYR 105           HD2      TYR 105   1.877  -0.535  10.374
  634    HE1  TYR 105           HE1      TYR 105   4.970   2.187  13.133
  635    HE2  TYR 105           HE2      TYR 105   2.236   1.857   9.834
  636    HH   TYR 105           HH       TYR 105   3.612   4.026  11.926
  637    H    GLN 106           H        GLN 106   2.461  -4.519  14.003
  638    HA   GLN 106           HA       GLN 106   0.859  -6.042  12.221
  639   1HB   GLN 106          1HB       GLN 106   2.870  -6.851  13.520
  640   2HB   GLN 106          2HB       GLN 106   1.851  -6.892  14.956
  641   1HG   GLN 106          1HG       GLN 106   1.030  -8.335  12.439
  642   2HG   GLN 106          2HG       GLN 106   2.133  -9.088  13.581
  643   1HE2  GLN 106          1HE2      GLN 106   1.258  -9.451  15.852
  644   2HE2  GLN 106          2HE2      GLN 106  -0.417  -9.544  16.081
  645    H    GLN 107           H        GLN 107   0.329  -5.108  15.623
  646    HA   GLN 107           HA       GLN 107  -2.154  -6.449  15.968
  647   1HB   GLN 107          1HB       GLN 107  -0.849  -5.502  17.839
  648   2HB   GLN 107          2HB       GLN 107  -1.195  -3.875  17.256
  649   1HG   GLN 107          1HG       GLN 107  -3.460  -3.996  17.840
  650   2HG   GLN 107          2HG       GLN 107  -3.482  -5.757  17.803
  651   1HE2  GLN 107          1HE2      GLN 107  -4.384  -5.790  20.010
  652   2HE2  GLN 107          2HE2      GLN 107  -3.394  -5.477  21.352
  653    H    LEU 108           H        LEU 108  -1.453  -3.137  14.828
  654    HA   LEU 108           HA       LEU 108  -4.239  -2.427  14.543
  655   1HB   LEU 108          1HB       LEU 108  -1.716  -1.275  13.331
  656   2HB   LEU 108          2HB       LEU 108  -3.311  -0.559  13.112
  657    HG   LEU 108           HG       LEU 108  -2.057  -1.110  15.823
  658   1HD1  LEU 108          1HD1      LEU 108  -2.351   1.605  14.535
  659   2HD1  LEU 108          2HD1      LEU 108  -0.887   0.643  14.337
  660   3HD1  LEU 108          3HD1      LEU 108  -1.391   1.160  15.947
  661   1HD2  LEU 108          1HD2      LEU 108  -3.900   0.782  16.312
  662   2HD2  LEU 108          2HD2      LEU 108  -4.311  -0.928  16.306
  663   3HD2  LEU 108          3HD2      LEU 108  -4.656   0.063  14.891
  664    H    GLN 109           H        GLN 109  -2.678  -4.805  13.030
  665    HA   GLN 109           HA       GLN 109  -2.856  -5.850  10.932
  666   1HB   GLN 109          1HB       GLN 109  -5.198  -5.912  12.052
  667   2HB   GLN 109          2HB       GLN 109  -5.640  -4.683  10.869
  668   1HG   GLN 109          1HG       GLN 109  -5.031  -6.176   9.034
  669   2HG   GLN 109          2HG       GLN 109  -4.441  -7.385  10.173
  670   1HE2  GLN 109          1HE2      GLN 109  -6.959  -6.256  11.853
  671   2HE2  GLN 109          2HE2      GLN 109  -8.215  -7.226  11.252
  672    H    ARG 110           H        ARG 110  -1.744  -3.183  10.751
  673    HA   ARG 110           HA       ARG 110  -3.018  -1.733   8.597
  674   1HB   ARG 110          1HB       ARG 110  -0.216  -1.684   9.746
  675   2HB   ARG 110          2HB       ARG 110  -0.719  -0.627   8.432
  676   1HG   ARG 110          1HG       ARG 110  -2.316  -0.759  10.998
  677   2HG   ARG 110          2HG       ARG 110  -0.884   0.257  10.892
  678   1HD   ARG 110          1HD       ARG 110  -1.911   1.309   8.812
  679   2HD   ARG 110          2HD       ARG 110  -3.398   0.451   9.213
  680    HE   ARG 110           HE       ARG 110  -3.732   1.947  11.016
  681   1HH1  ARG 110          1HH1      ARG 110  -0.563   2.160   9.674
  682   2HH1  ARG 110          2HH1      ARG 110  -0.144   3.593  10.553
  683   1HH2  ARG 110          1HH2      ARG 110  -3.203   3.817  12.169
  684   2HH2  ARG 110          2HH2      ARG 110  -1.639   4.531  11.965
  685    H    GLU 111           H        GLU 111  -2.050  -1.523   6.421
  686    HA   GLU 111           HA       GLU 111  -1.498  -4.171   5.327
  687   1HB   GLU 111          1HB       GLU 111  -1.798  -1.429   4.101
  688   2HB   GLU 111          2HB       GLU 111  -1.349  -2.839   3.141
  689   1HG   GLU 111          1HG       GLU 111  -3.774  -2.527   3.071
  690   2HG   GLU 111          2HG       GLU 111  -3.397  -4.004   3.949
  691    H    THR 112           H        THR 112   0.387  -1.151   5.733
  692    HA   THR 112           HA       THR 112   2.865  -2.766   5.153
  693    HB   THR 112           HB       THR 112   3.770  -0.695   4.047
  694    HG1  THR 112           HG1      THR 112   2.494   0.903   4.724
  695   1HG2  THR 112          1HG2      THR 112   1.688  -0.978   2.182
  696   2HG2  THR 112          2HG2      THR 112   1.748  -2.536   3.003
  697   3HG2  THR 112          3HG2      THR 112   3.189  -1.896   2.211
  698    H    ILE 113           H        ILE 113   4.852  -1.319   5.786
  699    HA   ILE 113           HA       ILE 113   4.273   0.237   8.266
  700    HB   ILE 113           HB       ILE 113   4.873  -2.137   8.858
  701   1HG1  ILE 113          1HG1      ILE 113   6.931  -0.075   9.693
  702   2HG1  ILE 113          2HG1      ILE 113   5.290  -0.129  10.335
  703   1HG2  ILE 113          1HG2      ILE 113   6.557  -2.281   6.906
  704   2HG2  ILE 113          2HG2      ILE 113   7.071  -2.963   8.449
  705   3HG2  ILE 113          3HG2      ILE 113   7.658  -1.380   7.946
  706   1HD1  ILE 113          1HD1      ILE 113   5.802  -2.581  10.949
  707   2HD1  ILE 113          2HD1      ILE 113   6.611  -1.340  11.905
  708   3HD1  ILE 113          3HD1      ILE 113   7.490  -2.184  10.630
  709    HA   PRO 114           HA       PRO 114   7.394   2.823   6.276
  710   1HB   PRO 114          1HB       PRO 114   7.977   4.107   8.881
  711   2HB   PRO 114          2HB       PRO 114   7.275   4.819   7.419
  712   1HG   PRO 114          1HG       PRO 114   5.840   4.384   9.671
  713   2HG   PRO 114          2HG       PRO 114   5.126   4.307   8.052
  714   1HD   PRO 114          1HD       PRO 114   5.976   2.051   9.857
  715   2HD   PRO 114          2HD       PRO 114   4.538   2.201   8.834
  716    H    ALA 115           H        ALA 115   9.525   2.364   5.888
  717    HA   ALA 115           HA       ALA 115  11.329   1.607   8.094
  718   1HB   ALA 115          1HB       ALA 115  11.994  -0.514   7.016
  719   2HB   ALA 115          2HB       ALA 115  10.747  -0.281   5.790
  720   3HB   ALA 115          3HB       ALA 115  10.290  -0.543   7.473
  721    H    LYS 116           H        LYS 116  13.351   2.351   7.661
  722    HA   LYS 116           HA       LYS 116  13.824   3.751   5.154
  723   1HB   LYS 116          1HB       LYS 116  14.707   4.281   7.593
  724   2HB   LYS 116          2HB       LYS 116  16.009   3.181   7.157
  725   1HG   LYS 116          1HG       LYS 116  16.477   4.546   5.152
  726   2HG   LYS 116          2HG       LYS 116  15.157   5.628   5.593
  727   1HD   LYS 116          1HD       LYS 116  16.294   6.252   7.655
  728   2HD   LYS 116          2HD       LYS 116  17.570   5.075   7.344
  729   1HE   LYS 116          1HE       LYS 116  18.089   6.311   5.212
  730   2HE   LYS 116          2HE       LYS 116  16.935   7.548   5.710
  731   1HZ   LYS 116          1HZ       LYS 116  19.412   7.835   6.295
  732   2HZ   LYS 116          2HZ       LYS 116  19.093   6.717   7.533
  733   3HZ   LYS 116          3HZ       LYS 116  18.246   8.189   7.474
  734    H    LEU 117           H        LEU 117  14.605   2.782   3.349
  735    HA   LEU 117           HA       LEU 117  15.715   0.048   3.540
  736   1HB   LEU 117          1HB       LEU 117  15.422   1.792   1.078
  737   2HB   LEU 117          2HB       LEU 117  15.714   0.058   1.111
  738    HG   LEU 117           HG       LEU 117  13.210   1.498   2.045
  739   1HD1  LEU 117          1HD1      LEU 117  13.168   1.269  -0.327
  740   2HD1  LEU 117          2HD1      LEU 117  12.222  -0.096   0.274
  741   3HD1  LEU 117          3HD1      LEU 117  13.883  -0.341  -0.261
  742   1HD2  LEU 117          1HD2      LEU 117  14.129  -1.357   2.383
  743   2HD2  LEU 117          2HD2      LEU 117  12.411  -0.966   2.301
  744   3HD2  LEU 117          3HD2      LEU 117  13.407  -0.283   3.582
  745    H    VAL 118           H        VAL 118  17.835  -0.461   3.402
  746    HA   VAL 118           HA       VAL 118  19.797   1.658   2.612
  747    HB   VAL 118           HB       VAL 118  20.054  -0.183   5.013
  748   1HG1  VAL 118          1HG1      VAL 118  22.069   1.189   5.482
  749   2HG1  VAL 118          2HG1      VAL 118  21.820   2.052   3.965
  750   3HG1  VAL 118          3HG1      VAL 118  22.207   0.332   3.948
  751   1HG2  VAL 118          1HG2      VAL 118  19.671   2.823   4.917
  752   2HG2  VAL 118          2HG2      VAL 118  19.781   1.821   6.364
  753   3HG2  VAL 118          3HG2      VAL 118  18.390   1.670   5.290
  754    H    GLN 119           H        GLN 119  20.866   0.818   0.880
  755    HA   GLN 119           HA       GLN 119  20.790  -1.867   0.057
  756   1HB   GLN 119          1HB       GLN 119  22.977   0.177  -0.430
  757   2HB   GLN 119          2HB       GLN 119  22.837  -1.352  -1.284
  758   1HG   GLN 119          1HG       GLN 119  21.812   0.406  -2.639
  759   2HG   GLN 119          2HG       GLN 119  20.570  -0.696  -2.061
  760   1HE2  GLN 119          1HE2      GLN 119  22.207   2.148  -0.510
  761   2HE2  GLN 119          2HE2      GLN 119  20.761   2.932  -0.106
  762    H    SER 120           H        SER 120  22.033  -3.680   0.553
  763    HA   SER 120           HA       SER 120  24.366  -3.356   2.378
  764   1HB   SER 120          1HB       SER 120  21.840  -4.895   2.946
  765   2HB   SER 120          2HB       SER 120  23.362  -5.393   3.667
  766    HG   SER 120           HG       SER 120  23.561  -3.279   4.509
  767    H    THR 121           H        THR 121  25.222  -5.790   2.746
  768    HA   THR 121           HA       THR 121  25.153  -7.218   0.107
  769    HB   THR 121           HB       THR 121  27.624  -7.713   0.624
  770    HG1  THR 121           HG1      THR 121  28.607  -6.346   2.043
  771   1HG2  THR 121          1HG2      THR 121  26.683  -4.915  -0.045
  772   2HG2  THR 121          2HG2      THR 121  27.016  -6.223  -1.181
  773   3HG2  THR 121          3HG2      THR 121  28.337  -5.479  -0.281
  774    H    LEU 122           H        LEU 122  25.776  -9.516   0.302
  775    HA   LEU 122           HA       LEU 122  24.399 -10.844   2.374
  776   1HB   LEU 122          1HB       LEU 122  25.133 -11.877   0.179
  777   2HB   LEU 122          2HB       LEU 122  26.757 -11.992   0.850
  778    HG   LEU 122           HG       LEU 122  25.802 -13.346   2.750
  779   1HD1  LEU 122          1HD1      LEU 122  23.494 -14.434   1.986
  780   2HD1  LEU 122          2HD1      LEU 122  23.295 -12.899   1.149
  781   3HD1  LEU 122          3HD1      LEU 122  23.515 -12.930   2.897
  782   1HD2  LEU 122          1HD2      LEU 122  26.877 -14.565   1.005
  783   2HD2  LEU 122          2HD2      LEU 122  25.535 -14.293  -0.109
  784   3HD2  LEU 122          3HD2      LEU 122  25.334 -15.384   1.263
  785    H    SER 123           H        SER 123  27.790  -9.805   2.242
  786    HA   SER 123           HA       SER 123  28.795 -11.234   4.463
  787   1HB   SER 123          1HB       SER 123  29.427  -8.428   3.504
  788   2HB   SER 123          2HB       SER 123  30.369  -9.288   4.721
  789    HG   SER 123           HG       SER 123  29.852 -10.212   2.091
  790    H    ASP 124           H        ASP 124  27.086  -8.089   4.387
  791    HA   ASP 124           HA       ASP 124  27.196  -7.512   7.147
  792   1HB   ASP 124          1HB       ASP 124  25.293  -6.872   4.909
  793   2HB   ASP 124          2HB       ASP 124  24.832  -6.446   6.545
  794    H    LEU 125           H        LEU 125  24.813  -9.426   5.299
  795    HA   LEU 125           HA       LEU 125  23.173 -10.093   7.521
  796   1HB   LEU 125          1HB       LEU 125  22.923 -10.521   4.892
  797   2HB   LEU 125          2HB       LEU 125  23.589 -12.092   5.316
  798    HG   LEU 125           HG       LEU 125  21.758 -12.176   7.145
  799   1HD1  LEU 125          1HD1      LEU 125  20.797  -9.854   5.452
  800   2HD1  LEU 125          2HD1      LEU 125  20.935  -9.932   7.204
  801   3HD1  LEU 125          3HD1      LEU 125  19.684 -10.851   6.381
  802   1HD2  LEU 125          1HD2      LEU 125  21.741 -13.519   5.069
  803   2HD2  LEU 125          2HD2      LEU 125  20.938 -12.194   4.228
  804   3HD2  LEU 125          3HD2      LEU 125  20.113 -13.033   5.541
  805    H    ARG 126           H        ARG 126  26.122 -11.588   6.256
  806    HA   ARG 126           HA       ARG 126  26.147 -13.940   7.870
  807   1HB   ARG 126          1HB       ARG 126  27.752 -13.319   5.971
  808   2HB   ARG 126          2HB       ARG 126  28.576 -12.278   7.126
  809   1HG   ARG 126          1HG       ARG 126  29.825 -14.225   7.359
  810   2HG   ARG 126          2HG       ARG 126  28.620 -14.471   8.618
  811   1HD   ARG 126          1HD       ARG 126  28.599 -16.519   7.452
  812   2HD   ARG 126          2HD       ARG 126  27.245 -15.652   6.727
  813    HE   ARG 126           HE       ARG 126  28.457 -15.575   4.705
  814   1HH1  ARG 126          1HH1      ARG 126  30.478 -16.279   7.408
  815   2HH1  ARG 126          2HH1      ARG 126  31.881 -16.599   6.445
  816   1HH2  ARG 126          1HH2      ARG 126  30.278 -15.988   3.432
  817   2HH2  ARG 126          2HH2      ARG 126  31.768 -16.434   4.194
  818    H    VAL 127           H        VAL 127  27.047 -10.600   8.617
  819    HA   VAL 127           HA       VAL 127  28.335 -11.103  11.110
  820    HB   VAL 127           HB       VAL 127  26.643  -8.717  10.298
  821   1HG1  VAL 127          1HG1      VAL 127  26.956  -8.761  12.701
  822   2HG1  VAL 127          2HG1      VAL 127  28.062  -7.563  12.029
  823   3HG1  VAL 127          3HG1      VAL 127  28.665  -9.147  12.513
  824   1HG2  VAL 127          1HG2      VAL 127  28.523  -9.131   8.764
  825   2HG2  VAL 127          2HG2      VAL 127  29.628  -9.237  10.132
  826   3HG2  VAL 127          3HG2      VAL 127  28.841  -7.706   9.750
  827    H    TYR 128           H        TYR 128  24.930 -10.862  10.170
  828    HA   TYR 128           HA       TYR 128  24.046 -11.119  12.995
  829   1HB   TYR 128          1HB       TYR 128  22.486 -10.980  10.403
  830   2HB   TYR 128          2HB       TYR 128  21.758 -11.073  12.004
  831    HD1  TYR 128           HD1      TYR 128  22.193  -9.232  13.678
  832    HD2  TYR 128           HD2      TYR 128  23.313  -8.927   9.547
  833    HE1  TYR 128           HE1      TYR 128  22.370  -6.770  13.909
  834    HE2  TYR 128           HE2      TYR 128  23.490  -6.466   9.773
  835    HH   TYR 128           HH       TYR 128  23.160  -4.715  11.108
  836    H    LEU 129           H        LEU 129  23.725 -13.007   9.975
  837    HA   LEU 129           HA       LEU 129  22.996 -15.410  11.607
  838   1HB   LEU 129          1HB       LEU 129  22.459 -14.747   8.704
  839   2HB   LEU 129          2HB       LEU 129  21.956 -16.219   9.525
  840    HG   LEU 129           HG       LEU 129  21.055 -13.397  10.160
  841   1HD1  LEU 129          1HD1      LEU 129  19.773 -15.794   8.834
  842   2HD1  LEU 129          2HD1      LEU 129  19.905 -14.143   8.228
  843   3HD1  LEU 129          3HD1      LEU 129  18.800 -14.508   9.552
  844   1HD2  LEU 129          1HD2      LEU 129  21.008 -14.408  12.270
  845   2HD2  LEU 129          2HD2      LEU 129  20.679 -16.011  11.608
  846   3HD2  LEU 129          3HD2      LEU 129  19.400 -14.796  11.662
  847    H    GLY 130           H        GLY 130  25.739 -14.729  11.274
  848   1HA   GLY 130          1HA       GLY 130  26.932 -16.006   9.023
  849   2HA   GLY 130          2HA       GLY 130  27.756 -15.668  10.541
  850    H    ALA 131           H        ALA 131  24.881 -17.757  10.078
  851    HA   ALA 131           HA       ALA 131  26.521 -20.178  10.417
  852   1HB   ALA 131          1HB       ALA 131  26.310 -19.762  12.722
  853   2HB   ALA 131          2HB       ALA 131  24.954 -20.842  12.399
  854   3HB   ALA 131          3HB       ALA 131  24.683 -19.105  12.553
  855    H    SER 132           H        SER 132  23.100 -19.094  10.702
  856    HA   SER 132           HA       SER 132  22.304 -21.423   9.011
  857   1HB   SER 132          1HB       SER 132  21.112 -20.990  11.179
  858   2HB   SER 132          2HB       SER 132  20.554 -19.454  10.515
  859    HG   SER 132           HG       SER 132  19.308 -20.486   9.096
  860    H    THR 133           H        THR 133  23.678 -19.148   7.829
  861    HA   THR 133           HA       THR 133  21.748 -17.404   6.588
  862    HB   THR 133           HB       THR 133  24.318 -17.786   5.149
  863    HG1  THR 133           HG1      THR 133  25.258 -18.225   7.003
  864   1HG2  THR 133          1HG2      THR 133  24.372 -15.444   5.168
  865   2HG2  THR 133          2HG2      THR 133  23.425 -15.337   6.652
  866   3HG2  THR 133          3HG2      THR 133  22.642 -15.788   5.138
  867    HA   PRO 134           HA       PRO 134  20.742 -20.579   3.453
  868   1HB   PRO 134          1HB       PRO 134  18.581 -19.379   2.345
  869   2HB   PRO 134          2HB       PRO 134  18.511 -20.133   3.947
  870   1HG   PRO 134          1HG       PRO 134  18.774 -17.247   3.215
  871   2HG   PRO 134          2HG       PRO 134  17.798 -17.997   4.488
  872   1HD   PRO 134          1HD       PRO 134  20.273 -16.800   4.914
  873   2HD   PRO 134          2HD       PRO 134  19.573 -18.030   5.982
  874    H    ASP 135           H        ASP 135  20.049 -20.199   0.933
  875    HA   ASP 135           HA       ASP 135  22.142 -18.390  -0.209
  876   1HB   ASP 135          1HB       ASP 135  22.180 -20.922  -0.651
  877   2HB   ASP 135          2HB       ASP 135  20.734 -20.663  -1.626
  878    H    LEU 136           H        LEU 136  21.348 -16.575  -1.078
  879    HA   LEU 136           HA       LEU 136  18.496 -16.268  -1.634
  880   1HB   LEU 136          1HB       LEU 136  20.821 -14.387  -2.121
  881   2HB   LEU 136          2HB       LEU 136  19.118 -13.956  -2.253
  882    HG   LEU 136           HG       LEU 136  20.481 -14.950   0.267
  883   1HD1  LEU 136          1HD1      LEU 136  20.358 -12.674   1.040
  884   2HD1  LEU 136          2HD1      LEU 136  19.402 -12.189  -0.359
  885   3HD1  LEU 136          3HD1      LEU 136  21.097 -12.628  -0.561
  886   1HD2  LEU 136          1HD2      LEU 136  17.637 -14.248  -0.441
  887   2HD2  LEU 136          2HD2      LEU 136  18.220 -13.946   1.195
  888   3HD2  LEU 136          3HD2      LEU 136  18.245 -15.582   0.546
  889    H    GLN 137           H        GLN 137  17.511 -16.250  -3.596
  890    HA   GLN 137           HA       GLN 137  19.190 -16.537  -6.061
  891   1HB   GLN 137          1HB       GLN 137  16.546 -17.953  -5.691
  892   2HB   GLN 137          2HB       GLN 137  17.822 -18.292  -6.857
  893   1HG   GLN 137          1HG       GLN 137  17.961 -18.729  -3.862
  894   2HG   GLN 137          2HG       GLN 137  17.857 -19.982  -5.096
  895   1HE2  GLN 137          1HE2      GLN 137  20.109 -18.751  -3.080
  896   2HE2  GLN 137          2HE2      GLN 137  21.485 -18.840  -4.058
  897   1H5*  ATP   1          1H5*      ATP   1   9.503   2.039  19.770
  898   2H5*  ATP   1          2H5*      ATP   1  10.692   1.996  21.038
  899    H4*  ATP   1           H4*      ATP   1  10.988   4.183  18.947
  900    H3*  ATP   1           H3*      ATP   1  11.671   3.919  21.863
  901   *HO3  ATP   1          *HO3      ATP   1  13.072   4.397  20.111
  902    H2*  ATP   1           H2*      ATP   1  10.143   5.453  22.576
  903   *HO2  ATP   1          *HO2      ATP   1  12.051   6.645  21.166
  904    H1*  ATP   1           H1*      ATP   1   9.654   6.425  19.719
  905    H8   ATP   1           H8       ATP   1   7.593   7.947  19.941
  906    H2   ATP   1           H2       ATP   1   7.107   3.432  24.479
  907   1HN6  ATP   1          1HN6      ATP   1   3.468   6.063  24.213
  908   2HN6  ATP   1          2HN6      ATP   1   3.579   6.872  22.673