*HEADER    OXIDOREDUCTASE                          28-MAR-12   2LRC              
*TITLE     STRUCTURE OF THIOREDOXIN 2 FROM PSEUDOMONAS AERUGINOSA PAO1 IN ITS    
*TITLE    2 REDUCED FORM                                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PROBABLE THIOREDOXIN;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA;                         
*SOURCE   3 ORGANISM_TAXID: 208964;                                              
*SOURCE   4 STRAIN: PAO1;                                                        
*SOURCE   5 GENE: PA2694;                                                        
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PJF119EH                                   
*KEYWDS    THIOREDOXIN FOLD, OXIDOREDUCTASE                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    E.B.GARCIN, C.KREUZER, O.BORNET, F.GUERLESQUIN                        
*REVDAT   1   17-APR-13 2LRC    0                                                


 78 PHE  HZ     88 VAL  H       5.20            #peak    24 #SUP  0.71  #QF  0.71
 22 THR  H      80 ARG  HG3     5.50            #peak    34 #SUP  0.92  #QF  0.28
  5 TYR  QE     25 GLU  HA      5.39            #peak    39 #SUP  0.45  #QF  0.45
  5 TYR  QE     57 GLU  HA      5.02            #peak    41 #SUP  0.51  #QF  0.51
  5 TYR  QE     29 ASP  HA      4.15            #peak    42 #SUP  0.38  #QF  0.38
  5 TYR  QE     34 CYS  HA      5.50            #peak    43 #SUP  0.43  #QF  0.43
  5 TYR  QE     27 GLY  HA2     4.93            #peak    44 #SUP  0.40  #QF  0.40
  5 TYR  HA      5 TYR  QE      4.54            #peak    45 #SUP  0.31  #QF  0.31
  5 TYR  QE     34 CYS  HB2     5.09            #peak    46 #SUP  0.25  #QF  0.25
  5 TYR  QE     27 GLY  HA3     4.93            #peak    52 #SUP  0.65  #QF  0.65
  5 TYR  QE     56 VAL  HB      5.50            #peak    59 #SUP  0.52  #QF  0.52
  5 TYR  QD     26 PHE  HA      5.30            #peak    69 #SUP  0.25  #QF  0.25
  4 ARG  HA      5 TYR  QD      5.47            #peak    72 #SUP  0.21  #QF  0.21
 26 PHE  QE     68 PHE  QD      3.45            #peak   127 #SUP  0.64  #QF  0.64
 68 PHE  HA     68 PHE  QD      2.94            #peak   129 #SUP  0.50  #QF  0.50
 68 PHE  QD     77 VAL  HA      5.44            #peak   131 #SUP  0.98  #QF  0.98
 64 LEU  HA     68 PHE  QD      4.20            #peak   132 #SUP  0.54  #QF  0.54
 44 VAL  HA     46 SER  H       4.64            #peak   134 #SUP  0.72  #QF  0.72
 65 GLY  HA2    68 PHE  QD      3.90            #peak   136 #SUP  0.49  #QF  0.49
 12 ARG  QD     68 PHE  QD      5.39            #peak   143 #SUP  0.74  #QF  0.28
 68 PHE  QD     87 ARG  HB3     5.50            #peak   143 #SUP  0.74  #QF  0.28
 66 ARG  H      66 ARG  HB2     3.82            #peak   145 #SUP  0.72  #QF  0.48
 64 LEU  HG     68 PHE  QD      3.91            #peak   145 #SUP  0.72  #QF  0.48
 66 ARG  H      66 ARG  HB3     3.82            #peak   146 #SUP  0.62  #QF  0.43
 64 LEU  QD2    68 PHE  QD      4.59            #peak   151 #SUP  0.58  #QF  0.58
 18 LEU  H      18 LEU  QD1     4.14            #peak   153 #SUP  0.90  #QF  0.90
 68 PHE  QD     77 VAL  QG1     3.18            #peak   155 #SUP  0.87  #QF  0.87
 68 PHE  QD     77 VAL  QG2     3.18            #peak   156 #SUP  0.79  #QF  0.79
 12 ARG  H      13 ASP  HA      5.47            #peak   167 #SUP  0.40  #QF  0.40
 79 LEU  HB3    80 ARG  H       5.50            #peak   182 #SUP  0.95  #QF  0.44
 88 VAL  QG2    89 VAL  H       4.85            #peak   189 #SUP  0.84  #QF  0.84
 23 LEU  HB3    25 GLU  H       5.50            #peak   209 #SUP  0.59  #QF  0.59
  5 TYR  HB2    29 ASP  H       4.96            #peak   229 #SUP  0.24  #QF  0.24
 26 PHE  HZ     68 PHE  HZ      5.50            #peak   232 #SUP  0.76  #QF  0.48
 30 TRP  HB3    30 TRP  HD1     2.91            #peak   243 #SUP  0.68  #QF  0.68
 28 THR  HB     30 TRP  HD1     3.41            #peak   244 #SUP  0.36  #QF  0.36
 73 TRP  HB2    73 TRP  HE3     4.14            #peak   265 #SUP  0.63  #QF  0.63
 73 TRP  HB3    73 TRP  HE3     3.45            #peak   267 #SUP  0.52  #QF  0.52
 73 TRP  HE3    74 PRO  HB3     5.47            #peak   271 #SUP  0.85  #QF  0.85
 72 LEU  HG     73 TRP  HE3     5.50            #peak   272 #SUP  0.48  #QF  0.48
 28 THR  QG2    30 TRP  HH2     3.81            #peak   275 #SUP  0.39  #QF  0.39
104 LEU  H     105 VAL  HA      5.03            #peak   280 #SUP  0.30  #QF  0.30
 28 THR  HB     30 TRP  HZ2     4.13            #peak   284 #SUP  0.49  #QF  0.49
 28 THR  QG2    30 TRP  HZ2     3.02            #peak   288 #SUP  0.76  #QF  0.76
 97 LEU  HA    101 PHE  QE      4.93            #peak   296 #SUP  0.57  #QF  0.57
 48 TYR  QE    102 GLU  HA      3.39            #peak   298 #SUP  0.77  #QF  0.60
 45 PHE  HA    101 PHE  QE      3.85            #peak   298 #SUP  0.77  #QF  0.60
 48 TYR  QE     98 GLU  HA      3.45            #peak   299 #SUP  0.35  #QF  0.35
101 PHE  HA    101 PHE  QE      4.49            #peak   301 #SUP  0.68  #QF  0.68
 45 PHE  QB    101 PHE  QE      4.20            #peak   303 #SUP  0.44  #QF  0.44
 51 VAL  HB    101 PHE  QE      3.90            #peak   305 #SUP  0.22  #QF  0.22
 48 TYR  QE    105 VAL  HB      4.25            #peak   306 #SUP  0.84  #QF  0.84
 48 TYR  QE    101 PHE  HB3     3.57            #peak   307 #SUP  0.56  #QF  0.56
 48 TYR  QE     98 GLU  HG2     3.30            #peak   308 #SUP  0.55  #QF  0.36
 48 TYR  QE    102 GLU  HB2     4.38            #peak   310 #SUP  0.72  #QF  0.56
 48 TYR  QE    107 GLU  HB3     4.92            #peak   310 #SUP  0.72  #QF  0.56
 48 TYR  QE    101 PHE  HB2     3.75            #peak   315 #SUP  0.36  #QF  0.36
 88 VAL  QG2   101 PHE  QE      4.74            #peak   319 #SUP  0.76  #QF  0.63
 97 LEU  HG    101 PHE  QE      5.09            #peak   319 #SUP  0.76  #QF  0.63
 48 TYR  QE    105 VAL  QG2     4.18            #peak   320 #SUP  0.80  #QF  0.80
 23 LEU  QD1   101 PHE  QE      4.18            #peak   323 #SUP  0.43  #QF  0.43
 23 LEU  QD2   101 PHE  QE      4.18            #peak   326 #SUP  0.42  #QF  0.42
 33 HIS  HA     33 HIS  HD2     3.32            #peak   327 #SUP  0.29  #QF  0.29
 33 HIS  HE1    74 PRO  HD2     5.24            #peak   341 #SUP  0.22  #QF  0.22
 81 ASP  HB3    83 ARG  H       3.69            #peak   343 #SUP  0.53  #QF  0.53
 36 ALA  QB     38 GLN  H       4.61            #peak   348 #SUP  0.48  #QF  0.48
 76 PHE  QD     78 PHE  HZ      3.26            #peak   355 #SUP  0.41  #QF  0.41
 26 PHE  HA     26 PHE  QE      4.86            #peak   356 #SUP  0.40  #QF  0.40
 26 PHE  QE     65 GLY  HA2     4.07            #peak   364 #SUP  0.72  #QF  0.72
 48 TYR  QD    105 VAL  HB      3.59            #peak   367 #SUP  0.47  #QF  0.47
 26 PHE  QE     64 LEU  HG      3.85            #peak   368 #SUP  0.99  #QF  0.99
 26 PHE  QE     56 VAL  QG1     4.06            #peak   373 #SUP  0.52  #QF  0.52
 26 PHE  QE     77 VAL  QG2     4.59            #peak   374 #SUP  0.77  #QF  0.68
 23 LEU  HB2    76 PHE  QD      5.50            #peak   375 #SUP  0.72  #QF  0.72
 26 PHE  QE     56 VAL  QG2     4.06            #peak   376 #SUP  0.65  #QF  0.65
 26 PHE  HA     26 PHE  QD      3.24            #peak   380 #SUP  0.39  #QF  0.39
 26 PHE  QD     75 THR  HA      5.07            #peak   382 #SUP  0.96  #QF  0.96
 25 GLU  HA     26 PHE  QD      4.47            #peak   383 #SUP  0.69  #QF  0.69
 26 PHE  QD     75 THR  HB      3.95            #peak   387 #SUP  0.43  #QF  0.43
 26 PHE  QD     65 GLY  HA2     4.19            #peak   390 #SUP  0.69  #QF  0.32
 28 THR  HA     73 TRP  HZ2     5.50            #peak   391 #SUP  0.91  #QF  0.81
 26 PHE  QD     64 LEU  HG      5.17            #peak   399 #SUP  0.72  #QF  0.54
 64 LEU  HG     68 PHE  HZ      5.50            #peak   399 #SUP  0.72  #QF  0.54
 68 PHE  HZ     77 VAL  HB      4.46            #peak   400 #SUP  0.92  #QF  0.92
 24 VAL  HB     68 PHE  HZ      4.49            #peak   401 #SUP  0.88  #QF  0.88
 26 PHE  QD     56 VAL  HB      4.37            #peak   402 #SUP  0.89  #QF  0.80
 26 PHE  QD     75 THR  QG2     3.43            #peak   403 #SUP  0.59  #QF  0.59
 26 PHE  QD     56 VAL  QG1     3.72            #peak   405 #SUP  0.78  #QF  0.78
 26 PHE  QD     70 VAL  QG2     3.69            #peak   406 #SUP  0.75  #QF  0.59
 68 PHE  HZ     79 LEU  QD1     4.21            #peak   406 #SUP  0.75  #QF  0.59
 26 PHE  QD     56 VAL  QG2     3.72            #peak   408 #SUP  0.65  #QF  0.65
 26 PHE  QD     70 VAL  QG1     3.69            #peak   409 #SUP  0.53  #QF  0.53
 45 PHE  QD     53 HIS  HE1     4.49            #peak   420 #SUP  0.74  #QF  0.74
 45 PHE  QE     53 HIS  HE1     4.46            #peak   422 #SUP  0.57  #QF  0.57
  5 TYR  QE     53 HIS  HE1     5.50            #peak   424 #SUP  0.27  #QF  0.27
 53 HIS  HE1   101 PHE  HZ      5.50            #peak   426 #SUP  0.29  #QF  0.29
 41 LEU  HA     53 HIS  HE1     5.50            #peak   434 #SUP  0.45  #QF  0.45
 53 HIS  HB3    53 HIS  HE1     5.11            #peak   438 #SUP  0.62  #QF  0.62
 38 GLN  H      39 PRO  QG      4.45            #peak   442 #SUP  0.88  #QF  0.75
 41 LEU  HB2    53 HIS  HE1     4.67            #peak   442 #SUP  0.88  #QF  0.75
 45 PHE  QE    101 PHE  QD      5.05            #peak   469 #SUP  0.66  #QF  0.66
 26 PHE  QE     68 PHE  H       5.50            #peak   470 #SUP  0.77  #QF  0.61
 68 PHE  H      69 GLN  HE22    5.50            #peak   470 #SUP  0.77  #QF  0.61
 45 PHE  QE    101 PHE  QE      3.28            #peak   471 #SUP  0.56  #QF  0.56
 45 PHE  QE     53 HIS  HA      3.93            #peak   472 #SUP  0.39  #QF  0.39
 45 PHE  QE    101 PHE  HZ      3.52            #peak   474 #SUP  0.46  #QF  0.46
 13 ASP  HA     17 ARG  H       5.50            #peak   478 #SUP  0.51  #QF  0.51
 45 PHE  QE     53 HIS  HB2     3.10            #peak   483 #SUP  0.39  #QF  0.39
 45 PHE  QE     51 VAL  HB      2.89            #peak   485 #SUP  0.45  #QF  0.45
 45 PHE  QE     48 TYR  HB2     4.80            #peak   486 #SUP  0.81  #QF  0.46
 68 PHE  H      69 GLN  QG      5.13            #peak   486 #SUP  0.81  #QF  0.46
 23 LEU  HB3    45 PHE  QE      3.64            #peak   489 #SUP  0.85  #QF  0.85
 45 PHE  QE     51 VAL  QG1     3.99            #peak   493 #SUP  0.89  #QF  0.89
 45 PHE  QE     51 VAL  QG2     3.99            #peak   494 #SUP  0.91  #QF  0.91
 23 LEU  HB2    45 PHE  QE      4.36            #peak   498 #SUP  0.78  #QF  0.78
 45 PHE  QD    101 PHE  QD      4.76            #peak   502 #SUP  0.57  #QF  0.57
 47 ASP  H      48 TYR  QD      3.82            #peak   503 #SUP  0.67  #QF  0.67
 45 PHE  QD    101 PHE  QE      3.46            #peak   504 #SUP  0.42  #QF  0.42
 45 PHE  QD    101 PHE  HZ      3.63            #peak   507 #SUP  0.57  #QF  0.57
 45 PHE  QD     48 TYR  HA      5.50            #peak   508 #SUP  0.73  #QF  0.27
  4 ARG  HA      4 ARG  HE      5.21            #peak   509 #SUP  0.61  #QF  0.61
  3 THR  HA      4 ARG  HE      5.15            #peak   511 #SUP  0.28  #QF  0.28
 45 PHE  QD     53 HIS  HB2     4.26            #peak   516 #SUP  0.71  #QF  0.71
 45 PHE  QD     48 TYR  HB2     4.08            #peak   520 #SUP  0.31  #QF  0.31
  3 THR  QG2     4 ARG  HE      4.52            #peak   527 #SUP  0.74  #QF  0.37
 75 THR  HA     76 PHE  QD      3.47            #peak   537 #SUP  0.82  #QF  0.82
 48 TYR  QD     98 GLU  HA      4.76            #peak   542 #SUP  0.25  #QF  0.25
 48 TYR  QD     49 PRO  HD3     5.42            #peak   543 #SUP  0.81  #QF  0.81
 48 TYR  QD    101 PHE  HB3     3.50            #peak   549 #SUP  0.38  #QF  0.38
 48 TYR  QD    107 GLU  HB2     4.49            #peak   552 #SUP  0.54  #QF  0.54
 26 PHE  QE     77 VAL  HB      4.05            #peak   553 #SUP  0.91  #QF  0.91
 24 VAL  HB     26 PHE  QE      4.39            #peak   554 #SUP  0.74  #QF  0.74
 48 TYR  QD    101 PHE  HB2     4.56            #peak   555 #SUP  0.60  #QF  0.60
  9 ALA  QB     26 PHE  QE      5.50            #peak   556 #SUP  0.43  #QF  0.43
 26 PHE  QE     64 LEU  QD2     4.13            #peak   557 #SUP  0.45  #QF  0.45
 26 PHE  QE     64 LEU  QD1     4.13            #peak   558 #SUP  0.85  #QF  0.85
 48 TYR  QD    105 VAL  QG2     3.42            #peak   559 #SUP  0.74  #QF  0.74
 23 LEU  QD2    76 PHE  QD      4.19            #peak   565 #SUP  0.90  #QF  0.90
102 GLU  HB2   104 LEU  H       5.50            #peak   585 #SUP  0.53  #QF  0.53
104 LEU  H     105 VAL  QG2     5.44            #peak   589 #SUP  0.83  #QF  0.83
 76 PHE  QD     78 PHE  H       5.50            #peak   598 #SUP  0.61  #QF  0.61
 78 PHE  H     104 LEU  HG      5.50            #peak   606 #SUP  0.74  #QF  0.52
 78 PHE  H      88 VAL  QG2     5.50            #peak   608 #SUP  0.59  #QF  0.44
 53 HIS  HA     53 HIS  HD2     2.74            #peak   610 #SUP  0.41  #QF  0.41
 53 HIS  HD2   101 PHE  HZ      5.46            #peak   611 #SUP  0.33  #QF  0.33
 25 GLU  HA     53 HIS  HD2     5.29            #peak   612 #SUP  0.39  #QF  0.39
 24 VAL  HA     53 HIS  HD2     4.21            #peak   613 #SUP  0.78  #QF  0.78
 53 HIS  HB2    53 HIS  HD2     3.74            #peak   617 #SUP  0.48  #QF  0.48
 53 HIS  HB3    53 HIS  HD2     3.87            #peak   618 #SUP  0.86  #QF  0.86
 53 HIS  HD2    76 PHE  HB2     5.20            #peak   619 #SUP  0.58  #QF  0.58
 23 LEU  HB3    53 HIS  HD2     3.30            #peak   621 #SUP  0.85  #QF  0.85
 23 LEU  HG     53 HIS  HD2     2.96            #peak   626 #SUP  0.69  #QF  0.69
 22 THR  QG2    53 HIS  HD2     5.04            #peak   627 #SUP  0.52  #QF  0.52
 23 LEU  HB2    53 HIS  HD2     4.37            #peak   630 #SUP  0.62  #QF  0.62
 23 LEU  QD1    53 HIS  HD2     4.13            #peak   631 #SUP  0.73  #QF  0.73
 23 LEU  QD2    53 HIS  HD2     4.13            #peak   635 #SUP  0.85  #QF  0.85
 57 GLU  H      58 ASP  H       4.52            #peak   637 #SUP  0.87  #QF  0.87
 73 TRP  H      74 PRO  HD3     5.50            #peak   642 #SUP  0.81  #QF  0.39
101 PHE  H     102 GLU  HA      5.46            #peak   647 #SUP  0.48  #QF  0.48
101 PHE  QD    101 PHE  HZ      3.98            #peak   667 #SUP  0.56  #QF  0.56
  5 TYR  QD      6 SER  HA      5.50            #peak   669 #SUP  0.50  #QF  0.50
  5 TYR  QD     57 GLU  HA      4.27            #peak   670 #SUP  0.69  #QF  0.69
 97 LEU  HA    101 PHE  QD      3.90            #peak   671 #SUP  0.92  #QF  0.92
 28 THR  H      34 CYS  HA      5.24            #peak   672 #SUP  0.26  #QF  0.26
101 PHE  HA    101 PHE  QD      3.14            #peak   675 #SUP  0.79  #QF  0.79
 48 TYR  HB3   101 PHE  QD      3.71            #peak   677 #SUP  0.74  #QF  0.74
  5 TYR  QD     55 LYS  HE3     5.49            #peak   686 #SUP  0.61  #QF  0.61
 51 VAL  QG1   101 PHE  QD      4.09            #peak   689 #SUP  0.50  #QF  0.50
 51 VAL  QG2   101 PHE  QD      4.09            #peak   690 #SUP  0.59  #QF  0.59
 88 VAL  QG2   101 PHE  QD      3.88            #peak   691 #SUP  0.88  #QF  0.88
 23 LEU  QD1   101 PHE  QD      5.19            #peak   695 #SUP  0.41  #QF  0.41
 23 LEU  QD2   101 PHE  QD      5.19            #peak   698 #SUP  0.86  #QF  0.86
 96 VAL  H      97 LEU  H       2.79            #peak   699 #SUP  0.23  #QF  0.23
 78 PHE  QE    101 PHE  HB3     4.55            #peak   724 #SUP  0.75  #QF  0.75
 78 PHE  QE    104 LEU  HB2     4.71            #peak   726 #SUP  0.80  #QF  0.80
 78 PHE  QE    101 PHE  HB2     4.71            #peak   729 #SUP  0.80  #QF  0.80
 78 PHE  QE     88 VAL  QG2     4.78            #peak   732 #SUP  0.94  #QF  0.45
 26 PHE  QE     68 PHE  QE      3.86            #peak   737 #SUP  0.55  #QF  0.55
 68 PHE  QE     79 LEU  HA      5.44            #peak   738 #SUP  0.56  #QF  0.56
 68 PHE  HA     68 PHE  QE      4.50            #peak   739 #SUP  0.95  #QF  0.95
 68 PHE  QE     84 GLU  HA      4.91            #peak   741 #SUP  0.86  #QF  0.86
 68 PHE  QE     77 VAL  HA      5.50            #peak   742 #SUP  0.79  #QF  0.79
 65 GLY  HA2    68 PHE  QE      5.50            #peak   748 #SUP  0.40  #QF  0.40
 12 ARG  QD     68 PHE  QE      5.00            #peak   753 #SUP  0.47  #QF  0.47
 64 LEU  HG     68 PHE  QE      3.51            #peak   755 #SUP  0.58  #QF  0.58
 24 VAL  HB     68 PHE  QE      4.22            #peak   759 #SUP  0.78  #QF  0.78
 68 PHE  QE     79 LEU  HG      4.65            #peak   760 #SUP  0.73  #QF  0.73
 64 LEU  QD2    68 PHE  QE      3.55            #peak   761 #SUP  0.61  #QF  0.61
 64 LEU  QD1    68 PHE  QE      3.55            #peak   762 #SUP  0.75  #QF  0.75
 15 LEU  QD1    68 PHE  QE      3.71            #peak   763 #SUP  0.78  #QF  0.61
 24 VAL  QG1    68 PHE  QE      4.99            #peak   763 #SUP  0.78  #QF  0.61
 68 PHE  QE     79 LEU  QD2     4.18            #peak   765 #SUP  0.81  #QF  0.81
 31 CYS  HA     73 TRP  HZ3     5.24            #peak   774 #SUP  0.80  #QF  0.80
 27 GLY  HA2    73 TRP  HZ3     4.35            #peak   776 #SUP  0.40  #QF  0.40
 27 GLY  HA3    73 TRP  HZ3     4.35            #peak   782 #SUP  0.91  #QF  0.91
 73 TRP  HZ3    74 PRO  QG      5.50            #peak   784 #SUP  0.64  #QF  0.64
 73 TRP  HZ3    74 PRO  HB3     4.45            #peak   788 #SUP  0.73  #QF  0.73
 28 THR  QG2    73 TRP  HZ3     4.82            #peak   795 #SUP  0.86  #QF  0.86
 31 CYS  HB2    73 TRP  HH2     4.75            #peak   800 #SUP  0.91  #QF  0.91
 31 CYS  HB3    73 TRP  HH2     4.75            #peak   801 #SUP  0.40  #QF  0.40
 28 THR  QG2    73 TRP  HH2     3.27            #peak   803 #SUP  0.76  #QF  0.76
 97 LEU  H      99 GLU  HB3     5.16            #peak   810 #SUP  0.56  #QF  0.56
 23 LEU  QD2    78 PHE  QE      3.91            #peak   829 #SUP  0.97  #QF  0.97
 23 LEU  QD1    78 PHE  QE      3.91            #peak   830 #SUP  0.68  #QF  0.68
 73 TRP  HE3    74 PRO  HA      4.21            #peak   838 #SUP  0.69  #QF  0.69
 73 TRP  HA     73 TRP  HE3     4.89            #peak   839 #SUP  0.35  #QF  0.35
 33 HIS  HE1    73 TRP  H       5.22            #peak   844 #SUP  0.49  #QF  0.49
 74 PRO  HD3    75 THR  H       5.32            #peak   849 #SUP  0.24  #QF  0.24
 75 THR  HA     76 PHE  HZ      5.31            #peak   856 #SUP  0.94  #QF  0.94
 76 PHE  HZ     97 LEU  HA      4.99            #peak   860 #SUP  0.90  #QF  0.90
 76 PHE  HZ     88 VAL  HB      4.04            #peak   870 #SUP  0.75  #QF  0.75
 40 LEU  HG     76 PHE  HZ      5.01            #peak   873 #SUP  0.65  #QF  0.65
 76 PHE  HZ     97 LEU  HB3     5.50            #peak   874 #SUP  0.54  #QF  0.54
 40 LEU  HB3    76 PHE  HZ      5.01            #peak   875 #SUP  0.63  #QF  0.63
 76 PHE  HZ     97 LEU  HG      3.21            #peak   877 #SUP  0.29  #QF  0.29
 76 PHE  HZ     97 LEU  QD1     4.94            #peak   879 #SUP  0.97  #QF  0.97
 76 PHE  QE    101 PHE  HZ      5.50            #peak   886 #SUP  0.63  #QF  0.63
 76 PHE  QE     97 LEU  HA      3.94            #peak   890 #SUP  0.83  #QF  0.83
 76 PHE  QE     88 VAL  HB      4.19            #peak   900 #SUP  0.81  #QF  0.81
 40 LEU  HG     76 PHE  QE      5.50            #peak   903 #SUP  0.80  #QF  0.80
 76 PHE  QE     97 LEU  HB3     5.39            #peak   904 #SUP  0.75  #QF  0.75
 76 PHE  QE     88 VAL  QG2     3.71            #peak   907 #SUP  0.81  #QF  0.74
 76 PHE  QE     97 LEU  HG      4.00            #peak   907 #SUP  0.81  #QF  0.74
 76 PHE  QE     97 LEU  QD1     4.25            #peak   909 #SUP  0.94  #QF  0.94
 23 LEU  QD1    76 PHE  QE      4.38            #peak   910 #SUP  0.75  #QF  0.75
 76 PHE  QE     97 LEU  QD2     4.25            #peak   911 #SUP  0.78  #QF  0.78
 23 LEU  QD2    76 PHE  QE      4.38            #peak   913 #SUP  0.89  #QF  0.89
 86 ALA  HA     87 ARG  HA      4.77            #peak   917 #SUP  0.22  #QF  0.22
 78 PHE  HA     87 ARG  HA      5.07            #peak   918 #SUP  0.36  #QF  0.36
 77 VAL  HA     87 ARG  HA      3.32            #peak   919 #SUP  0.24  #QF  0.24
 78 PHE  HB2    87 ARG  HA      4.83            #peak   923 #SUP  0.43  #QF  0.43
 78 PHE  HB3    87 ARG  HA      5.47            #peak   924 #SUP  0.42  #QF  0.42
 78 PHE  HZ     88 VAL  HB      4.74            #peak   926 #SUP  0.60  #QF  0.50
 87 ARG  HA     87 ARG  HG3     4.04            #peak   929 #SUP  0.37  #QF  0.37
 86 ALA  QB     87 ARG  HA      4.00            #peak   930 #SUP  0.40  #QF  0.40
 78 PHE  HZ     88 VAL  QG2     3.91            #peak   932 #SUP  0.76  #QF  0.68
 78 PHE  HZ    100 ALA  QB      4.60            #peak   934 #SUP  0.25  #QF  0.25
 78 PHE  QE     78 PHE  HD2     3.57            #peak   938 #SUP  0.74  #QF  0.74
 76 PHE  QD     78 PHE  HD2     4.67            #peak   939 #SUP  0.96  #QF  0.96
 78 PHE  HA     78 PHE  HD2     3.98            #peak   950 #SUP  0.40  #QF  0.40
 78 PHE  HD2    88 VAL  HB      4.34            #peak   963 #SUP  0.71  #QF  0.71
 78 PHE  HD2    86 ALA  QB      4.13            #peak   970 #SUP  0.27  #QF  0.27
 78 PHE  HD2    88 VAL  QG2     3.62            #peak   972 #SUP  0.54  #QF  0.33
 78 PHE  QE     78 PHE  HD1     2.78            #peak   980 #SUP  0.94  #QF  0.94
 78 PHE  HD1   101 PHE  HZ      5.50            #peak   985 #SUP  0.46  #QF  0.46
 78 PHE  HA     78 PHE  HD1     4.88            #peak   991 #SUP  0.45  #QF  0.45
 78 PHE  HD1   104 LEU  HB3     4.15            #peak  1009 #SUP  0.47  #QF  0.47
 23 LEU  QD1    78 PHE  HD1     4.30            #peak  1016 #SUP  0.81  #QF  0.81
 23 LEU  QD2    78 PHE  HD1     4.30            #peak  1018 #SUP  0.82  #QF  0.82
 45 PHE  QB    101 PHE  HZ      4.67            #peak  1049 #SUP  0.44  #QF  0.44
 23 LEU  HB3   101 PHE  HZ      4.96            #peak  1054 #SUP  0.26  #QF  0.26
 44 VAL  QG1   101 PHE  HZ      4.85            #peak  1058 #SUP  0.58  #QF  0.58
 23 LEU  HG    101 PHE  HZ      5.22            #peak  1059 #SUP  0.58  #QF  0.25
 44 VAL  QG2   101 PHE  HZ      4.85            #peak  1062 #SUP  0.32  #QF  0.32
 23 LEU  QD1   101 PHE  HZ      4.45            #peak  1063 #SUP  0.41  #QF  0.41
 23 LEU  QD2   101 PHE  HZ      4.45            #peak  1065 #SUP  0.50  #QF  0.50
 53 HIS  HA     54 LEU  HA      4.79            #peak     2 #SUP  0.43  #QF  0.43
 23 LEU  HB3    53 HIS  HA      4.08            #peak     7 #SUP  0.43  #QF  0.43
 53 HIS  HA     54 LEU  HB3     5.33            #peak     9 #SUP  0.27  #QF  0.27
 23 LEU  HG     53 HIS  HA      4.55            #peak    10 #SUP  0.61  #QF  0.49
 22 THR  QG2    53 HIS  HA      4.27            #peak    11 #SUP  0.42  #QF  0.42
 23 LEU  HB2    53 HIS  HA      4.41            #peak    14 #SUP  0.56  #QF  0.56
 23 LEU  QD1    53 HIS  HA      5.17            #peak    15 #SUP  0.26  #QF  0.26
 23 LEU  QD2    53 HIS  HA      5.17            #peak    17 #SUP  0.44  #QF  0.44
 21 PRO  HA     80 ARG  HA      3.62            #peak    33 #SUP  0.60  #QF  0.60
 27 GLY  HA2    74 PRO  HA      5.14            #peak    35 #SUP  0.47  #QF  0.47
 27 GLY  HA3    74 PRO  HA      5.14            #peak    38 #SUP  0.48  #QF  0.48
 37 ALA  QB     74 PRO  HA      5.18            #peak    39 #SUP  0.22  #QF  0.22
 25 GLU  HA     26 PHE  HA      5.30            #peak    41 #SUP  0.22  #QF  0.22
 26 PHE  HA     56 VAL  HB      3.52            #peak    50 #SUP  0.26  #QF  0.26
 26 PHE  HA     56 VAL  QG1     4.32            #peak    52 #SUP  0.37  #QF  0.37
 26 PHE  HA     56 VAL  QG2     4.32            #peak    54 #SUP  0.32  #QF  0.32
 75 THR  HA     89 VAL  QG2     4.63            #peak    68 #SUP  0.70  #QF  0.70
 75 THR  HA     89 VAL  QG1     4.63            #peak    69 #SUP  0.34  #QF  0.34
 75 THR  HA     89 VAL  HB      5.50            #peak    71 #SUP  0.39  #QF  0.39
 75 THR  HA     76 PHE  HB3     5.17            #peak    73 #SUP  0.73  #QF  0.73
 22 THR  HB     79 LEU  HA      5.50            #peak    76 #SUP  0.35  #QF  0.35
 79 LEU  HA     84 GLU  HA      3.58            #peak    77 #SUP  0.44  #QF  0.44
 28 THR  QG2    59 GLY  QA      5.39            #peak    91 #SUP  0.66  #QF  0.66
 27 GLY  HA2    28 THR  QG2     5.30            #peak    93 #SUP  0.76  #QF  0.76
  5 TYR  HB3    28 THR  QG2     5.50            #peak    96 #SUP  0.40  #QF  0.23
 27 GLY  HA3    28 THR  QG2     5.30            #peak    99 #SUP  0.44  #QF  0.44
 26 PHE  QB     70 VAL  QG1     4.73            #peak   104 #SUP  0.44  #QF  0.44
 97 LEU  HA    100 ALA  QB      3.31            #peak   106 #SUP  0.43  #QF  0.43
100 ALA  QB    101 PHE  HA      4.12            #peak   112 #SUP  0.57  #QF  0.57
 65 GLY  HA3    70 VAL  QG1     4.70            #peak   115 #SUP  0.60  #QF  0.60
 91 PRO  HA     97 LEU  QD2     5.50            #peak   123 #SUP  0.63  #QF  0.63
 41 LEU  HA     97 LEU  QD2     4.21            #peak   127 #SUP  0.94  #QF  0.94
  5 TYR  HA     55 LYS  HB3     4.09            #peak   130 #SUP  0.27  #QF  0.27
 23 LEU  QD1    76 PHE  HB3     5.22            #peak   134 #SUP  0.35  #QF  0.35
 23 LEU  QD1    76 PHE  HB2     4.57            #peak   137 #SUP  0.42  #QF  0.42
 23 LEU  HA     79 LEU  HB2     5.25            #peak   149 #SUP  1.00  #QF  0.46
 37 ALA  HA     40 LEU  HB3     3.65            #peak   150 #SUP  0.31  #QF  0.31
 23 LEU  HG     24 VAL  HA      4.33            #peak   151 #SUP  0.65  #QF  0.65
 39 PRO  HA     42 ALA  QB      2.94            #peak   154 #SUP  0.72  #QF  0.72
  7 ALA  HA     57 GLU  HB2     3.42            #peak   161 #SUP  0.54  #QF  0.54
 17 ARG  HB3    18 LEU  HA      4.79            #peak   168 #SUP  0.44  #QF  0.44
 44 VAL  HA     44 VAL  QG1     3.22            #peak   177 #SUP  0.56  #QF  0.56
 44 VAL  HA     97 LEU  HB3     5.29            #peak   178 #SUP  0.59  #QF  0.59
 12 ARG  HA     15 LEU  QD1     4.46            #peak   185 #SUP  0.77  #QF  0.69
103 SER  HB2   104 LEU  QD1     4.82            #peak   185 #SUP  0.77  #QF  0.69
103 SER  HB2   104 LEU  QD2     4.82            #peak   193 #SUP  0.55  #QF  0.55
 22 THR  HB     79 LEU  HB2     3.47            #peak   194 #SUP  0.34  #QF  0.34
 98 GLU  HA    101 PHE  HB2     3.90            #peak   196 #SUP  0.71  #QF  0.57
  5 TYR  HA     55 LYS  HB2     4.09            #peak   198 #SUP  0.42  #QF  0.42
  5 TYR  HA     55 LYS  HE3     4.49            #peak   202 #SUP  0.67  #QF  0.67
  5 TYR  HB3    57 GLU  HA      5.02            #peak   208 #SUP  0.68  #QF  0.68
 49 PRO  HA     51 VAL  HB      5.50            #peak   209 #SUP  0.30  #QF  0.30
 19 ALA  HA     81 ASP  HB3     5.30            #peak   210 #SUP  0.43  #QF  0.43
  7 ALA  HA     56 VAL  HA      5.28            #peak   214 #SUP  0.43  #QF  0.22
 13 ASP  HA     14 GLU  HA      5.50            #peak   214 #SUP  0.43  #QF  0.22
  5 TYR  HA     55 LYS  HA      4.86            #peak   216 #SUP  0.37  #QF  0.37
 64 LEU  HA     65 GLY  HA2     4.94            #peak   220 #SUP  0.54  #QF  0.54
 13 ASP  HA     16 ASP  QB      3.52            #peak   226 #SUP  0.67  #QF  0.34
 95 SER  HA     98 GLU  QB      3.30            #peak   233 #SUP  0.34  #QF  0.34
 36 ALA  HA     39 PRO  QG      3.79            #peak   234 #SUP  0.28  #QF  0.28
 40 LEU  HA     43 GLU  HG2     5.17            #peak   236 #SUP  0.67  #QF  0.41
 46 SER  HA     49 PRO  HD3     4.51            #peak   246 #SUP  0.56  #QF  0.56
 33 HIS  HB3    74 PRO  HD3     4.12            #peak   251 #SUP  0.25  #QF  0.25
 13 ASP  QB     14 GLU  HA      4.28            #peak   253 #SUP  0.96  #QF  0.55
102 GLU  HA    105 VAL  HB      4.52            #peak   256 #SUP  0.83  #QF  0.83
 98 GLU  HA    101 PHE  HA      5.41            #peak   268 #SUP  0.71  #QF  0.71
 99 GLU  HB3   100 ALA  HA      4.66            #peak   270 #SUP  0.41  #QF  0.41
101 PHE  HA    105 VAL  HB      4.54            #peak   281 #SUP  0.69  #QF  0.69
 88 VAL  QG2   100 ALA  HA      4.33            #peak   305 #SUP  0.34  #QF  0.34
 70 VAL  HA     75 THR  QG2     3.82            #peak   308 #SUP  0.44  #QF  0.44
101 PHE  HA    105 VAL  QG2     5.50            #peak   315 #SUP  0.83  #QF  0.47
 68 PHE  HB3    77 VAL  QG2     4.73            #peak   319 #SUP  0.74  #QF  0.41
 80 ARG  QD     85 VAL  QG1     4.37            #peak   325 #SUP  0.95  #QF  0.93
 26 PHE  QB     70 VAL  QG2     4.73            #peak   334 #SUP  0.52  #QF  0.52
 80 ARG  HG3    81 ASP  HB2     5.50            #peak   340 #SUP  0.39  #QF  0.39
 80 ARG  HG2    81 ASP  HB2     4.70            #peak   341 #SUP  0.65  #QF  0.65
 78 PHE  HB2    86 ALA  QB      3.49            #peak   348 #SUP  0.29  #QF  0.29
  9 ALA  QB     10 PRO  HD3     3.50            #peak   354 #SUP  0.59  #QF  0.59
  5 TYR  HB2    28 THR  QG2     5.39            #peak   363 #SUP  0.98  #QF  0.89
100 ALA  QB    102 GLU  HG3     5.50            #peak   364 #SUP  0.65  #QF  0.43
 88 VAL  HB    100 ALA  QB      4.47            #peak   367 #SUP  0.35  #QF  0.35
 84 GLU  QG     85 VAL  QG2     4.15            #peak   380 #SUP  0.28  #QF  0.28
101 PHE  HB3   105 VAL  QG2     4.76            #peak   381 #SUP  0.69  #QF  0.69
 40 LEU  QD1    43 GLU  HB2     4.04            #peak   387 #SUP  0.56  #QF  0.56
 12 ARG  HG2    15 LEU  QD1     6.19            #peak   388 #SUP  0.54  #QF  0.54
102 GLU  HB3   102 GLU  HG2     2.41            #peak   391 #SUP  0.23  #QF  0.23
 70 VAL  QG1    75 THR  QG2     3.21            #peak   416 #SUP  0.34  #QF  0.34
  9 ALA  QB     56 VAL  QG2     2.92            #peak   424 #SUP  0.58  #QF  0.58
 40 LEU  HB3    97 LEU  QD2     4.66            #peak   426 #SUP  0.88  #QF  0.88
 86 ALA  QB    104 LEU  QD1     3.00            #peak   436 #SUP  0.25  #QF  0.25
  9 ALA  QB     56 VAL  QG1     2.92            #peak   441 #SUP  0.32  #QF  0.32
 73 TRP  HB3    74 PRO  HA      4.41            #peak   462 #SUP  0.75  #QF  0.75
 79 LEU  HA     79 LEU  HG      4.14            #peak   467 #SUP  0.52  #QF  0.52
 23 LEU  QD2    24 VAL  HA      5.50            #peak   472 #SUP  0.44  #QF  0.44
 23 LEU  QD1    24 VAL  HA      5.50            #peak   473 #SUP  0.38  #QF  0.38
 22 THR  HA     23 LEU  HB2     4.72            #peak   474 #SUP  0.65  #QF  0.65
 75 THR  HA     76 PHE  HA      4.55            #peak   480 #SUP  0.85  #QF  0.85
 84 GLU  HA     85 VAL  QG2     3.69            #peak   482 #SUP  0.31  #QF  0.31
 16 ASP  HA     18 LEU  QB      5.50            #peak   484 #SUP  0.55  #QF  0.55
 79 LEU  HB3    84 GLU  HA      4.43            #peak   491 #SUP  0.69  #QF  0.69
 24 VAL  HA     76 PHE  HB3     5.50            #peak   503 #SUP  0.74  #QF  0.74
 45 PHE  QB     49 PRO  HA      5.50            #peak   504 #SUP  0.68  #QF  0.32
 28 THR  HB     57 GLU  HA      5.50            #peak   504 #SUP  0.68  #QF  0.32
 34 CYS  HA     37 ALA  HA      5.31            #peak   508 #SUP  0.64  #QF  0.64
 97 LEU  HA     97 LEU  QD2     3.82            #peak   511 #SUP  0.77  #QF  0.77
 56 VAL  HA     56 VAL  QG2     3.23            #peak   512 #SUP  0.61  #QF  0.61
 70 VAL  HA     70 VAL  QG1     3.71            #peak   514 #SUP  0.26  #QF  0.26
 28 THR  HA     28 THR  QG2     2.87            #peak   515 #SUP  0.60  #QF  0.60
 41 LEU  HA     41 LEU  QD2     3.82            #peak   518 #SUP  0.87  #QF  0.87
 77 VAL  HA     77 VAL  QG2     3.29            #peak   521 #SUP  0.58  #QF  0.58
 77 VAL  HA     77 VAL  QG1     3.29            #peak   522 #SUP  0.69  #QF  0.69
 18 LEU  HA     18 LEU  QD2     4.15            #peak   523 #SUP  0.31  #QF  0.31
105 VAL  HA    105 VAL  QG2     2.59            #peak   525 #SUP  0.87  #QF  0.87
 40 LEU  HA     40 LEU  QD2     2.78            #peak   526 #SUP  0.40  #QF  0.40
104 LEU  HA    104 LEU  QD2     3.50            #peak   527 #SUP  0.56  #QF  0.56
 97 LEU  HA     97 LEU  HG      2.53            #peak   528 #SUP  0.41  #QF  0.41
 96 VAL  HA     96 VAL  QG2     3.00            #peak   533 #SUP  0.48  #QF  0.48
 96 VAL  HA     96 VAL  QG1     3.00            #peak   534 #SUP  0.48  #QF  0.48
  3 THR  HA      3 THR  QG2     2.68            #peak   537 #SUP  0.27  #QF  0.27
  8 GLU  HA      8 GLU  QB      3.00            #peak   539 #SUP  0.43  #QF  0.43
107 GLU  HA    107 GLU  QG      3.16            #peak   543 #SUP  0.30  #QF  0.30
 64 LEU  HA     64 LEU  QD2     3.84            #peak   546 #SUP  0.42  #QF  0.42
 66 ARG  HG2    67 SER  HA      4.10            #peak   547 #SUP  0.58  #QF  0.58
 43 GLU  HA     43 GLU  HG2     2.68            #peak   554 #SUP  0.54  #QF  0.54
 90 ARG  HA     90 ARG  HG2     3.89            #peak   557 #SUP  0.85  #QF  0.66
 72 LEU  HG     74 PRO  HD3     3.61            #peak   560 #SUP  0.52  #QF  0.52
 69 GLN  HA     69 GLN  QG      2.58            #peak   565 #SUP  0.55  #QF  0.55
 69 GLN  HA     69 GLN  HB3     2.71            #peak   566 #SUP  0.59  #QF  0.59
102 GLU  HA    102 GLU  HB2     2.77            #peak   568 #SUP  0.26  #QF  0.26
 99 GLU  HA     99 GLU  HG3     3.29            #peak   569 #SUP  0.47  #QF  0.20
 99 GLU  HA    102 GLU  HG3     3.43            #peak   569 #SUP  0.47  #QF  0.20
101 PHE  HB3   102 GLU  HA      4.40            #peak   570 #SUP  0.85  #QF  0.76
 98 GLU  HA     98 GLU  HG3     3.43            #peak   571 #SUP  0.36  #QF  0.36
 98 GLU  HA     98 GLU  HG2     3.55            #peak   572 #SUP  0.47  #QF  0.47
 98 GLU  HA     98 GLU  QB      3.00            #peak   573 #SUP  0.59  #QF  0.59
101 PHE  HA    104 LEU  HB2     3.66            #peak   576 #SUP  0.83  #QF  0.83
 90 ARG  HA     90 ARG  QD      4.14            #peak   595 #SUP  0.40  #QF  0.40
 26 PHE  QB     75 THR  HB      4.68            #peak   596 #SUP  0.28  #QF  0.28
  5 TYR  HB3    28 THR  HA      3.89            #peak   606 #SUP  0.60  #QF  0.60
 93 SER  HA     94 ALA  HA      4.51            #peak   617 #SUP  0.35  #QF  0.35
 71 LYS  HG2    71 LYS  QE      3.39            #peak   642 #SUP  0.27  #QF  0.27
 42 ALA  QB     43 GLU  HG2     3.78            #peak   649 #SUP  0.71  #QF  0.71
 40 LEU  HB3    40 LEU  HG      2.79            #peak   684 #SUP  0.76  #QF  0.58
 79 LEU  HB3    79 LEU  QD1     3.22            #peak   689 #SUP  0.85  #QF  0.54
 91 PRO  QB     97 LEU  HG      4.14            #peak   690 #SUP  0.64  #QF  0.31
 15 LEU  HB2    15 LEU  QD1     3.44            #peak   691 #SUP  0.68  #QF  0.68
  9 ALA  QB     10 PRO  HG3     4.35            #peak   705 #SUP  0.68  #QF  0.68
 40 LEU  HG     91 PRO  QB      3.59            #peak   706 #SUP  0.98  #QF  0.68
 54 LEU  HB3    54 LEU  QD2     3.41            #peak   725 #SUP  0.39  #QF  0.39
 97 LEU  HA     97 LEU  QD1     3.82            #peak    50 #SUP  0.98  #QF  0.98
 30 TRP  HB2    30 TRP  HZ3     5.08            #peak    70 #SUP  0.71  #QF  0.71
 30 TRP  HB2    35 GLN  HE22    5.39            #peak    73 #SUP  0.99  #QF  0.85
 30 TRP  HB2    35 GLN  HE21    5.39            #peak    76 #SUP  0.82  #QF  0.82
 40 LEU  HA     40 LEU  HG      4.11            #peak    78 #SUP  0.98  #QF  0.92
 40 LEU  HA     40 LEU  QD1     3.49            #peak    82 #SUP  0.98  #QF  0.98
 48 TYR  HB3   101 PHE  QE      5.50            #peak    89 #SUP  1.00
 45 PHE  HA     45 PHE  QE      4.80            #peak    92 #SUP  0.83  #QF  0.83
 87 ARG  HG3    87 ARG  QD      2.89            #peak   135 #SUP  1.00
 87 ARG  HB2    87 ARG  QD      3.29            #peak   136 #SUP  0.90  #QF  0.90
 87 ARG  HG2    87 ARG  QD      2.89            #peak   138 #SUP  1.00
 87 ARG  HB3    87 ARG  QD      3.79            #peak   139 #SUP  0.99  #QF  0.99
 80 ARG  HB2    80 ARG  QD      3.55            #peak   149 #SUP  0.98  #QF  0.96
 80 ARG  HG3    80 ARG  QD      2.92            #peak   150 #SUP  0.97  #QF  0.97
 80 ARG  HB3    80 ARG  QD      3.55            #peak   151 #SUP  0.89  #QF  0.82
 12 ARG  HA     12 ARG  QD      4.32            #peak   162 #SUP  0.91  #QF  0.91
 12 ARG  HA     12 ARG  HG2     4.25            #peak   167 #SUP  1.00
 22 THR  QG2    79 LEU  H       5.50            #peak   168 #SUP  0.93  #QF  0.84
 43 GLU  H      43 GLU  HG3     4.63            #peak   179 #SUP  0.94  #QF  0.94
  8 GLU  QB      8 GLU  HG2     2.93            #peak   187 #SUP  0.89  #QF  0.89
 98 GLU  QB     98 GLU  HG2     2.88            #peak   192 #SUP  0.92  #QF  0.92
 54 LEU  HA     55 LYS  HE2     5.09            #peak   203 #SUP  0.51  #QF  0.24
 55 LYS  HB3    55 LYS  HE2     4.56            #peak   211 #SUP  0.68  #QF  0.68
 55 LYS  HA     55 LYS  HE2     4.79            #peak   212 #SUP  0.35  #QF  0.35
105 VAL  H     105 VAL  QG2     3.71            #peak   254 #SUP  1.00
 51 VAL  HA     51 VAL  QG1     3.57            #peak   261 #SUP  0.73  #QF  0.73
 43 GLU  HA     43 GLU  HB2     3.00            #peak   361 #SUP  0.88  #QF  0.88
 24 VAL  HA     24 VAL  QG1     3.41            #peak   388 #SUP  0.99  #QF  0.99
 90 ARG  QB     90 ARG  QD      3.97            #peak   420 #SUP  0.69  #QF  0.69
 83 ARG  HA     83 ARG  QD      4.51            #peak   430 #SUP  0.73  #QF  0.73
 83 ARG  HB2    83 ARG  QD      3.15            #peak   432 #SUP  0.57  #QF  0.57
 83 ARG  HB3    83 ARG  QD      3.15            #peak   434 #SUP  0.73  #QF  0.73
 12 ARG  HG3    12 ARG  QD      2.74            #peak   451 #SUP  0.65  #QF  0.65
 12 ARG  HG2    12 ARG  QD      2.74            #peak   453 #SUP  0.66  #QF  0.66
107 GLU  HB2   107 GLU  QG      2.66            #peak   466 #SUP  0.89  #QF  0.89
107 GLU  HB3   107 GLU  QG      2.85            #peak   467 #SUP  0.89  #QF  0.89
 99 GLU  HB3    99 GLU  HG2     2.87            #peak   470 #SUP  0.93  #QF  0.93
102 GLU  HB2   102 GLU  HG2     2.76            #peak   477 #SUP  0.97  #QF  0.97
 99 GLU  HA    102 GLU  HG2     3.40            #peak   479 #SUP  0.78  #QF  0.78
 54 LEU  HA     54 LEU  QD1     3.87            #peak   506 #SUP  1.00
 71 LYS  QD     71 LYS  QE      2.86            #peak   521 #SUP  1.00
 71 LYS  HG3    71 LYS  QE      3.39            #peak   524 #SUP  0.95  #QF  0.95
 14 GLU  HA     14 GLU  HG2     3.59            #peak   638 #SUP  0.92  #QF  0.92
 14 GLU  HA     14 GLU  HG3     3.59            #peak   640 #SUP  0.64  #QF  0.64
 17 ARG  HA     17 ARG  QD      4.26            #peak   646 #SUP  0.98  #QF  0.98
 18 LEU  HA     18 LEU  QB      2.76            #peak   664 #SUP  0.90  #QF  0.90
105 VAL  HA    105 VAL  QG1     3.22            #peak   670 #SUP  0.95  #QF  0.95
 38 GLN  HB2    39 PRO  QD      4.89            #peak   735 #SUP  0.94  #QF  0.75
 90 ARG  HA     90 ARG  HG3     3.89            #peak   752 #SUP  1.00
 72 LEU  H      72 LEU  HG      4.84            #peak   840 #SUP  0.97  #QF  0.97
 15 LEU  H      15 LEU  QD1     4.48            #peak   858 #SUP  0.64  #QF  0.64
 15 LEU  HA     15 LEU  QD1     3.96            #peak   860 #SUP  0.79  #QF  0.79
 85 VAL  HA     85 VAL  QG2     3.28            #peak   862 #SUP  0.60  #QF  0.60
 85 VAL  HA     85 VAL  QG1     3.39            #peak   864 #SUP  0.56  #QF  0.56
 66 ARG  HA     66 ARG  HG3     3.42            #peak   932 #SUP  0.88  #QF  0.88
 66 ARG  HA     66 ARG  QD      4.68            #peak   937 #SUP  0.60  #QF  0.60
 17 ARG  HG2    17 ARG  QD      2.92            #peak  1029 #SUP  0.98  #QF  0.98
 17 ARG  HB2    17 ARG  QD      3.61            #peak  1030 #SUP  0.87  #QF  0.87
 17 ARG  HG3    17 ARG  QD      2.92            #peak  1034 #SUP  1.00
 17 ARG  HB3    17 ARG  QD      3.44            #peak  1035 #SUP  0.97  #QF  0.97
 43 GLU  H      43 GLU  HB3     3.81            #peak  1072 #SUP  0.95  #QF  0.95
 18 LEU  QB     18 LEU  QD2     3.78            #peak  1107 #SUP  0.96  #QF  0.96
 64 LEU  HB2    64 LEU  QD2     3.38            #peak  1125 #SUP  0.89  #QF  0.89
 64 LEU  HB3    64 LEU  QD2     3.38            #peak  1128 #SUP  0.94  #QF  0.94
104 LEU  HA    104 LEU  HG      3.77            #peak  1173 #SUP  0.99  #QF  0.99
 85 VAL  QG2   104 LEU  HA      3.74            #peak  1178 #SUP  0.92  #QF  0.39
 35 GLN  HA     35 GLN  HG2     3.56            #peak  1186 #SUP  0.71  #QF  0.71
 35 GLN  HA     35 GLN  HG3     3.91            #peak  1189 #SUP  0.88  #QF  0.88
 57 GLU  HA     57 GLU  HG3     4.25            #peak  1213 #SUP  0.81  #QF  0.81
 89 VAL  HA     89 VAL  QG2     3.71            #peak  1223 #SUP  0.95  #QF  0.95
 89 VAL  H      89 VAL  QG2     3.89            #peak  1225 #SUP  1.00
 83 ARG  H      83 ARG  HG3     4.78            #peak  1257 #SUP  0.92  #QF  0.92
 12 ARG  HA     12 ARG  HG3     4.25            #peak  1278 #SUP  1.00
 99 GLU  H      99 GLU  HG3     4.96            #peak  1298 #SUP  0.99  #QF  0.96
 99 GLU  H     102 GLU  HG3     5.35            #peak  1298 #SUP  0.99  #QF  0.96
 79 LEU  HB3    79 LEU  QD2     3.22            #peak  1348 #SUP  0.95  #QF  0.95
 79 LEU  HB2    79 LEU  QD2     3.56            #peak  1351 #SUP  0.98  #QF  0.98
 40 LEU  HB3    40 LEU  QD2     3.69            #peak  1371 #SUP  0.98  #QF  0.98
 15 LEU  HB3    15 LEU  QD2     3.44            #peak  1391 #SUP  0.84  #QF  0.84
 15 LEU  HB2    15 LEU  QD2     3.44            #peak  1394 #SUP  0.97  #QF  0.97
 15 LEU  HA     15 LEU  QD2     3.96            #peak  1395 #SUP  0.96  #QF  0.96
 96 VAL  H      96 VAL  QG1     3.79            #peak  1417 #SUP  1.00
 87 ARG  HA     87 ARG  QD      4.41            #peak  1490 #SUP  0.90  #QF  0.90
 87 ARG  HA     87 ARG  HG2     4.04            #peak  1495 #SUP  0.90  #QF  0.90
 77 VAL  HA     87 ARG  HB2     4.25            #peak  1508 #SUP  0.97  #QF  0.92
 72 LEU  HA     72 LEU  HG      4.20            #peak  1531 #SUP  0.94  #QF  0.82
 24 VAL  H      24 VAL  QG1     4.03            #peak  1549 #SUP  1.00
 66 ARG  HB3    66 ARG  QD      3.67            #peak  1604 #SUP  0.61  #QF  0.61
 66 ARG  HG3    66 ARG  QD      3.00            #peak  1605 #SUP  0.59  #QF  0.59
 66 ARG  HB2    66 ARG  QD      3.67            #peak  1609 #SUP  0.61  #QF  0.61
 57 GLU  HA     57 GLU  HG2     4.25            #peak  1650 #SUP  0.89  #QF  0.89
 41 LEU  HA     41 LEU  QD1     3.82            #peak  1656 #SUP  0.98  #QF  0.98
 41 LEU  HB3    41 LEU  QD1     3.65            #peak  1662 #SUP  0.99  #QF  0.99
 40 LEU  HB2    40 LEU  QD1     3.69            #peak  1669 #SUP  1.00  #QF  0.99
 40 LEU  QD1    91 PRO  QB      3.84            #peak  1669 #SUP  1.00  #QF  0.99
 85 VAL  QG2   104 LEU  HB3     3.73            #peak  1683 #SUP  0.98  #QF  0.53
  5 TYR  HA      5 TYR  QD      4.87            #peak  1712 #SUP  0.98  #QF  0.98
 71 LYS  HA     71 LYS  HG2     3.75            #peak  1783 #SUP  0.88  #QF  0.88
 71 LYS  HA     71 LYS  QD      3.64            #peak  1785 #SUP  0.93  #QF  0.89
 71 LYS  HA     71 LYS  HG3     3.75            #peak  1788 #SUP  0.84  #QF  0.84
 69 GLN  HB3    69 GLN  QG      2.76            #peak  1899 #SUP  0.99  #QF  0.99
 79 LEU  HA     79 LEU  QD1     3.90            #peak  1962 #SUP  0.99  #QF  0.99
 15 LEU  HA     15 LEU  HG      3.76            #peak  1976 #SUP  0.78  #QF  0.78
 23 LEU  HB2    23 LEU  QD2     3.48            #peak  1977 #SUP  0.97  #QF  0.97
 64 LEU  HB2    64 LEU  QD1     3.38            #peak  1998 #SUP  0.89  #QF  0.89
 64 LEU  HB3    64 LEU  QD1     3.38            #peak  2001 #SUP  0.94  #QF  0.94
 64 LEU  HA     64 LEU  HG      3.91            #peak  2003 #SUP  0.89  #QF  0.89
 64 LEU  HA     64 LEU  QD1     3.84            #peak  2006 #SUP  0.89  #QF  0.89
 48 TYR  HB2   101 PHE  QE      4.88            #peak  2014 #SUP  0.94  #QF  0.77
 13 ASP  HA     13 ASP  QB      2.73            #peak  2051 #SUP  0.88  #QF  0.88
 89 VAL  HA     89 VAL  QG1     3.71            #peak  2110 #SUP  0.90  #QF  0.90
  4 ARG  HG2     4 ARG  QD      2.89            #peak  2149 #SUP  0.86  #QF  0.56
  4 ARG  HG3     4 ARG  QD      2.89            #peak  2151 #SUP  0.73  #QF  0.73
  4 ARG  HA      4 ARG  QD      4.25            #peak  2152 #SUP  0.88  #QF  0.88
 50 GLU  HA     50 GLU  HG2     3.99            #peak  2179 #SUP  0.49  #QF  0.49
 50 GLU  HA     50 GLU  QB      2.80            #peak  2180 #SUP  0.89  #QF  0.89
 50 GLU  HA     50 GLU  HG3     3.99            #peak  2181 #SUP  0.89  #QF  0.89
 54 LEU  HB3    54 LEU  QD1     3.41            #peak  2191 #SUP  1.00
 54 LEU  HB2    54 LEU  QD1     3.41            #peak  2193 #SUP  0.72  #QF  0.72
 79 LEU  HB2    79 LEU  QD1     3.56            #peak  2206 #SUP  1.00
 41 LEU  HB3    41 LEU  QD2     3.65            #peak  2216 #SUP  1.00
 40 LEU  HB2    40 LEU  QD2     3.76            #peak  2226 #SUP  0.98  #QF  0.98
104 LEU  HA    104 LEU  QD1     3.50            #peak  2240 #SUP  0.85  #QF  0.85
 18 LEU  QB     18 LEU  QD1     3.78            #peak  2255 #SUP  0.93  #QF  0.93
104 LEU  HB2   105 VAL  HB      4.90            #peak    83 #SUP  0.92  #QF  0.80
105 VAL  HB    107 GLU  HB2     5.18            #peak    83 #SUP  0.92  #QF  0.80
 29 ASP  HB3    30 TRP  H       4.81            #peak   114 #SUP  0.52  #QF  0.52
 32 GLY  HA2    35 GLN  QB      4.16            #peak   169 #SUP  0.81  #QF  0.81
 44 VAL  HA     48 TYR  QE      4.76            #peak   184 #SUP  0.72  #QF  0.72
 44 VAL  HA     94 ALA  QB      4.38            #peak   195 #SUP  0.51  #QF  0.51
 44 VAL  HA     47 ASP  H       4.39            #peak   200 #SUP  0.26  #QF  0.26
 91 PRO  QB     97 LEU  HA      4.32            #peak   277 #SUP  0.86  #QF  0.86
100 ALA  HA    102 GLU  H       4.81            #peak   316 #SUP  0.53  #QF  0.53
 99 GLU  HG3   100 ALA  HA      5.07            #peak   339 #SUP  0.63  #QF  0.63
 68 PHE  H      69 GLN  HA      4.78            #peak   398 #SUP  0.80  #QF  0.80
 39 PRO  QG     40 LEU  HA      4.34            #peak   455 #SUP  0.82  #QF  0.82
 40 LEU  HA     43 GLU  H       4.62            #peak   462 #SUP  0.90  #QF  0.90
 40 LEU  HA     43 GLU  HG3     4.11            #peak   488 #SUP  0.40  #QF  0.40
 94 ALA  HA     97 LEU  HB3     4.24            #peak   549 #SUP  0.52  #QF  0.52
 94 ALA  HA     97 LEU  HB2     4.02            #peak   551 #SUP  0.81  #QF  0.81
 94 ALA  HA     97 LEU  QD2     4.97            #peak   554 #SUP  0.71  #QF  0.71
 44 VAL  HB     94 ALA  HA      5.50            #peak   557 #SUP  0.60  #QF  0.60
 94 ALA  HA     97 LEU  QD1     4.97            #peak   570 #SUP  0.52  #QF  0.52
 78 PHE  HB2   104 LEU  HG      4.94            #peak   605 #SUP  0.91  #QF  0.91
 33 HIS  HB2    74 PRO  HD3     4.12            #peak   642 #SUP  0.75  #QF  0.75
 73 TRP  HB3    74 PRO  HD3     4.03            #peak   643 #SUP  0.62  #QF  0.62
  9 ALA  QB     10 PRO  HB3     5.01            #peak   683 #SUP  0.59  #QF  0.59
 78 PHE  H      87 ARG  QD      5.50            #peak   732 #SUP  0.49  #QF  0.49
 80 ARG  QD     85 VAL  QG2     3.57            #peak   789 #SUP  0.82  #QF  0.82
 12 ARG  HA     15 LEU  QD2     4.46            #peak   840 #SUP  0.55  #QF  0.55
 12 ARG  HA     15 LEU  H       4.68            #peak   862 #SUP  0.89  #QF  0.89
 43 GLU  HG3    44 VAL  H       4.93            #peak   954 #SUP  0.83  #QF  0.83
102 GLU  HA    107 GLU  QG      4.26            #peak   962 #SUP  0.52  #QF  0.52
 98 GLU  QB    100 ALA  H       5.03            #peak  1011 #SUP  0.46  #QF  0.46
 97 LEU  HB3    98 GLU  QB      4.69            #peak  1020 #SUP  0.73  #QF  0.73
 40 LEU  HG     97 LEU  H       5.49            #peak  1161 #SUP  0.46  #QF  0.46
 78 PHE  HB3   104 LEU  HB2     4.90            #peak  1207 #SUP  0.94  #QF  0.74
105 VAL  QG2   107 GLU  QG      4.11            #peak  1271 #SUP  0.58  #QF  0.58
105 VAL  QG2   107 GLU  HB2     4.49            #peak  1288 #SUP  0.66  #QF  0.66
102 GLU  HA    105 VAL  QG2     4.77            #peak  1297 #SUP  0.89  #QF  0.89
 51 VAL  H     105 VAL  QG2     4.66            #peak  1301 #SUP  0.49  #QF  0.49
 70 VAL  QG1    75 THR  HB      4.03            #peak  1305 #SUP  0.89  #QF  0.89
 70 VAL  QG1    71 LYS  QE      5.50            #peak  1328 #SUP  0.69  #QF  0.69
 51 VAL  QG1   101 PHE  QE      4.13            #peak  1371 #SUP  0.87  #QF  0.87
 51 VAL  QG1    52 GLY  H       4.62            #peak  1377 #SUP  0.89  #QF  0.89
 77 VAL  QG2    78 PHE  H       4.16            #peak  1411 #SUP  0.89  #QF  0.89
 77 VAL  QG2    87 ARG  HB3     4.37            #peak  1418 #SUP  0.91  #QF  0.91
 24 VAL  HB     77 VAL  QG2     4.88            #peak  1431 #SUP  0.86  #QF  0.86
 10 PRO  HB2    11 ALA  QB      4.41            #peak  1585 #SUP  0.68  #QF  0.68
102 GLU  HB2   103 SER  HA      4.61            #peak  1622 #SUP  0.55  #QF  0.55
 70 VAL  HA     71 LYS  QE      4.96            #peak  1695 #SUP  0.64  #QF  0.64
 68 PHE  HB2    70 VAL  HA      5.50            #peak  1716 #SUP  0.81  #QF  0.81
 36 ALA  QB     39 PRO  QD      4.61            #peak  1740 #SUP  0.81  #QF  0.81
 22 THR  HA     52 GLY  H       4.39            #peak  1813 #SUP  0.50  #QF  0.50
 37 ALA  H      38 GLN  HA      5.21            #peak  1884 #SUP  0.81  #QF  0.81
 42 ALA  QB     43 GLU  HA      4.07            #peak  1931 #SUP  0.88  #QF  0.88
 34 CYS  HA     74 PRO  HB3     4.67            #peak  1963 #SUP  0.37  #QF  0.37
 96 VAL  HA     99 GLU  HG2     4.58            #peak  1970 #SUP  0.63  #QF  0.63
 34 CYS  HA     37 ALA  QB      3.67            #peak  1981 #SUP  0.40  #QF  0.40
 31 CYS  HA     34 CYS  HB2     5.09            #peak  2004 #SUP  0.82  #QF  0.82
 30 TRP  HZ3    31 CYS  HA      4.62            #peak  2007 #SUP  0.31  #QF  0.31
 22 THR  HB     79 LEU  HB3     4.23            #peak  2035 #SUP  0.53  #QF  0.53
 84 GLU  HA     85 VAL  QG1     4.50            #peak  2066 #SUP  0.88  #QF  0.88
 39 PRO  HB3    42 ALA  QB      5.25            #peak  2215 #SUP  0.84  #QF  0.84
 21 PRO  HA     80 ARG  HG2     4.54            #peak  2233 #SUP  0.49  #QF  0.49
 12 ARG  QD     67 SER  QB      4.22            #peak  2404 #SUP  0.32  #QF  0.32
 48 TYR  QE     98 GLU  HG3     4.97            #peak  2528 #SUP  0.54  #QF  0.54
 53 HIS  HB3    54 LEU  HA      4.72            #peak  2673 #SUP  0.55  #QF  0.55
 41 LEU  HA     97 LEU  HG      5.50            #peak  2830 #SUP  0.68  #QF  0.68
 41 LEU  HA     43 GLU  H       4.56            #peak  2845 #SUP  0.51  #QF  0.51
 41 LEU  HA     44 VAL  HB      4.89            #peak  2859 #SUP  0.52  #QF  0.52
 97 LEU  HB2   100 ALA  QB      5.50            #peak  2878 #SUP  0.56  #QF  0.56
 41 LEU  HA     97 LEU  HB2     5.50            #peak  2887 #SUP  0.56  #QF  0.56
 91 PRO  QB     97 LEU  HB2     4.98            #peak  2895 #SUP  0.85  #QF  0.85
 15 LEU  HA     18 LEU  HG      4.27            #peak  2967 #SUP  0.42  #QF  0.42
 23 LEU  QD1    76 PHE  QD      4.19            #peak  2991 #SUP  0.93  #QF  0.93
 44 VAL  QG2    98 GLU  HG2     3.99            #peak  3042 #SUP  0.50  #QF  0.50
 44 VAL  QG2    48 TYR  QD      5.19            #peak  3061 #SUP  0.76  #QF  0.76
 44 VAL  QG2    94 ALA  QB      4.87            #peak  3084 #SUP  0.53  #QF  0.53
 88 VAL  QG2    97 LEU  HA      3.61            #peak  3134 #SUP  0.58  #QF  0.58
 76 PHE  HZ     88 VAL  QG2     4.87            #peak  3165 #SUP  0.83  #QF  0.83
 46 SER  HA     49 PRO  QG      5.50            #peak  3266 #SUP  0.71  #QF  0.31
 64 LEU  HG     67 SER  QB      5.50            #peak  3266 #SUP  0.71  #QF  0.31
 83 ARG  HB2    84 GLU  H       4.42            #peak  3411 #SUP  0.39  #QF  0.39
 14 GLU  HA     17 ARG  QD      4.88            #peak  3455 #SUP  0.37  #QF  0.37
 16 ASP  QB     17 ARG  HA      4.64            #peak  3504 #SUP  0.53  #QF  0.53
 32 GLY  HA3    35 GLN  QB      4.25            #peak  3514 #SUP  0.79  #QF  0.79
104 LEU  HB3   105 VAL  HA      4.61            #peak  3625 #SUP  0.46  #QF  0.46
104 LEU  HB2   105 VAL  HA      4.81            #peak  3631 #SUP  0.85  #QF  0.85
 47 ASP  HB2    48 TYR  QE      4.90            #peak  3708 #SUP  0.82  #QF  0.82
 40 LEU  HB3    91 PRO  QB      4.14            #peak  3963 #SUP  0.92  #QF  0.92
  9 ALA  QB     10 PRO  HG2     4.16            #peak  4013 #SUP  0.29  #QF  0.29
 74 PRO  QG     90 ARG  HA      4.17            #peak  4062 #SUP  0.38  #QF  0.38
 28 THR  HB     73 TRP  HH2     4.71            #peak  4185 #SUP  0.74  #QF  0.74
 35 GLN  HG2    36 ALA  H       4.73            #peak  4233 #SUP  0.65  #QF  0.65
 44 VAL  QG2    98 GLU  HG3     4.09            #peak  4284 #SUP  0.73  #QF  0.73
 79 LEU  HG     84 GLU  HA      4.94            #peak  4392 #SUP  0.98  #QF  0.72
 41 LEU  HG     45 PHE  QD      4.83            #peak  4468 #SUP  0.69  #QF  0.69
 41 LEU  HG     42 ALA  H       5.21            #peak  4474 #SUP  0.36  #QF  0.36
 40 LEU  QD2    91 PRO  HA      5.50            #peak  4505 #SUP  0.54  #QF  0.54
 40 LEU  QD2    93 SER  HA      4.02            #peak  4522 #SUP  0.78  #QF  0.78
 41 LEU  HA     97 LEU  QD1     4.21            #peak  4564 #SUP  0.62  #QF  0.62
 91 PRO  QB     97 LEU  QD1     3.81            #peak  4572 #SUP  0.94  #QF  0.20
 68 PHE  HB3    77 VAL  QG1     4.73            #peak  4768 #SUP  0.81  #QF  0.81
 46 SER  QB     47 ASP  HB2     4.59            #peak  4863 #SUP  0.45  #QF  0.45
 46 SER  QB     47 ASP  HB3     5.48            #peak  4867 #SUP  0.85  #QF  0.85
 98 GLU  HA    101 PHE  HB3     4.67            #peak  4930 #SUP  0.81  #QF  0.81
 88 VAL  QG2   100 ALA  QB      3.24            #peak  4979 #SUP  0.85  #QF  0.77
 86 ALA  QB    100 ALA  QB      4.15            #peak  4996 #SUP  0.56  #QF  0.56
 99 GLU  HG3   100 ALA  QB      5.05            #peak  4997 #SUP  0.64  #QF  0.64
  7 ALA  QB      8 GLU  HA      4.14            #peak  5070 #SUP  0.74  #QF  0.74
  6 SER  QB      7 ALA  QB      4.94            #peak  5227 #SUP  0.45  #QF  0.45
  5 TYR  HB3     6 SER  QB      4.85            #peak  5230 #SUP  0.35  #QF  0.35
 44 VAL  QG1    98 GLU  HA      4.13            #peak  5323 #SUP  0.83  #QF  0.83
 44 VAL  QG2    98 GLU  HA      4.13            #peak  5325 #SUP  0.80  #QF  0.80
 97 LEU  HB3    98 GLU  HA      4.05            #peak  5340 #SUP  0.75  #QF  0.75
 98 GLU  HA    102 GLU  H       4.73            #peak  5351 #SUP  0.81  #QF  0.81
 78 PHE  HA     85 VAL  QG2     4.26            #peak  5430 #SUP  0.53  #QF  0.53
 24 VAL  H      78 PHE  HA      3.83            #peak  5440 #SUP  0.76  #QF  0.76
  7 ALA  HA     57 GLU  HB3     3.42            #peak  5456 #SUP  0.87  #QF  0.87
 12 ARG  HA     15 LEU  HB3     4.49            #peak  5479 #SUP  0.81  #QF  0.81
  9 ALA  QB     10 PRO  HB2     5.10            #peak  5549 #SUP  0.53  #QF  0.53
 16 ASP  QB     17 ARG  QD      4.42            #peak  5641 #SUP  0.50  #QF  0.50
 43 GLU  HB3    44 VAL  H       3.84            #peak  5828 #SUP  0.90  #QF  0.90
 24 VAL  HA     54 LEU  HB3     4.67            #peak  5846 #SUP  0.92  #QF  0.92
 15 LEU  HA     18 LEU  QB      4.20            #peak  5909 #SUP  0.52  #QF  0.52
 15 LEU  HG     18 LEU  QB      5.38            #peak  5927 #SUP  0.64  #QF  0.34
 18 LEU  QB     19 ALA  QB      5.50            #peak  5927 #SUP  0.64  #QF  0.34
 59 GLY  QA     60 PRO  HD3     3.40            #peak  5981 #SUP  0.38  #QF  0.38
 11 ALA  HA     64 LEU  QD2     5.50            #peak  6009 #SUP  0.81  #QF  0.81
 34 CYS  HB3    35 GLN  HG2     4.82            #peak  6107 #SUP  0.69  #QF  0.69
 34 CYS  HB3    35 GLN  HE21    4.99            #peak  6111 #SUP  0.35  #QF  0.35
 45 PHE  QB     46 SER  HA      4.17            #peak  6198 #SUP  0.84  #QF  0.84
 46 SER  HA     49 PRO  HB3     4.64            #peak  6223 #SUP  0.46  #QF  0.46
 86 ALA  QB    104 LEU  HA      4.74            #peak  6296 #SUP  0.66  #QF  0.66
 50 GLU  QB     51 VAL  HA      4.75            #peak  6331 #SUP  0.59  #QF  0.59
 34 CYS  HB3    35 GLN  HA      3.99            #peak  6352 #SUP  0.67  #QF  0.67
 35 GLN  HA     38 GLN  H       4.01            #peak  6367 #SUP  0.68  #QF  0.68
 37 ALA  QB     38 GLN  HA      3.99            #peak  6390 #SUP  0.66  #QF  0.66
 37 ALA  QB     39 PRO  QD      4.31            #peak  6391 #SUP  0.69  #QF  0.69
 37 ALA  QB     40 LEU  QD2     4.46            #peak  6395 #SUP  0.71  #QF  0.71
 37 ALA  QB     41 LEU  H       4.49            #peak  6410 #SUP  0.59  #QF  0.59
  5 TYR  QD     29 ASP  HA      4.27            #peak  6434 #SUP  0.31  #QF  0.31
 42 ALA  QB     43 GLU  H       3.61            #peak  6487 #SUP  0.84  #QF  0.84
 51 VAL  HB    101 PHE  QD      4.93            #peak  6549 #SUP  0.64  #QF  0.64
 28 THR  QG2    57 GLU  HA      5.30            #peak  6565 #SUP  0.73  #QF  0.73
 19 ALA  HA     81 ASP  H       3.97            #peak  6594 #SUP  0.25  #QF  0.25
 19 ALA  HA     81 ASP  HB2     4.78            #peak  6608 #SUP  0.39  #QF  0.39
 22 THR  QG2    23 LEU  HA      4.55            #peak  6627 #SUP  0.55  #QF  0.55
 39 PRO  HB2    42 ALA  QB      5.25            #peak  6659 #SUP  0.73  #QF  0.73
 10 PRO  HA     11 ALA  QB      4.27            #peak  6726 #SUP  0.64  #QF  0.64
 80 ARG  HB3    85 VAL  QG2     3.91            #peak  6780 #SUP  0.85  #QF  0.85
 98 GLU  QB     99 GLU  HA      3.93            #peak  6828 #SUP  0.64  #QF  0.64
 12 ARG  HG3    15 LEU  QD2     6.19            #peak  6831 #SUP  0.55  #QF  0.55
 78 PHE  HA     79 LEU  HB2     5.50            #peak  7151 #SUP  1.00  #QF  0.49
 79 LEU  HB2    84 GLU  HA      5.50            #peak  7151 #SUP  1.00  #QF  0.49
 41 LEU  HB2    42 ALA  QB      4.35            #peak  7218 #SUP  0.91  #QF  0.91
 40 LEU  HB3    41 LEU  HB2     4.61            #peak  7246 #SUP  0.98  #QF  0.84
 40 LEU  HB3    41 LEU  HA      4.29            #peak  7263 #SUP  0.61  #QF  0.61
 40 LEU  HB3    97 LEU  QD1     4.66            #peak  7280 #SUP  0.91  #QF  0.91
 76 PHE  HZ     97 LEU  QD2     4.94            #peak  7284 #SUP  0.87  #QF  0.87
 91 PRO  QB     97 LEU  QD2     3.81            #peak  7306 #SUP  0.87  #QF  0.87
 23 LEU  HG     76 PHE  QD      4.98            #peak  7484 #SUP  0.91  #QF  0.91
 44 VAL  QG1    98 GLU  HG2     3.99            #peak  7505 #SUP  0.61  #QF  0.61
 44 VAL  QG1    98 GLU  HG3     4.09            #peak  7523 #SUP  0.83  #QF  0.83
 44 VAL  QG1    48 TYR  QD      5.19            #peak  7524 #SUP  0.91  #QF  0.91
 44 VAL  QG1    97 LEU  HB3     3.84            #peak  7529 #SUP  0.90  #QF  0.90
 44 VAL  QG1   101 PHE  QD      4.14            #peak  7541 #SUP  0.54  #QF  0.54
 93 SER  H      96 VAL  QG1     4.42            #peak  7587 #SUP  0.88  #QF  0.88
 88 VAL  QG1    97 LEU  HA      3.85            #peak  7597 #SUP  0.61  #QF  0.61
 88 VAL  QG1   100 ALA  QB      3.85            #peak  7649 #SUP  0.89  #QF  0.89
 86 ALA  QB    104 LEU  QD2     3.00            #peak  7676 #SUP  0.81  #QF  0.72
 80 ARG  HG2    81 ASP  HB3     5.42            #peak  7723 #SUP  0.58  #QF  0.58
 85 VAL  HA     86 ALA  QB      4.39            #peak  7941 #SUP  0.69  #QF  0.69
 78 PHE  HB3    86 ALA  QB      4.57            #peak  7945 #SUP  0.52  #QF  0.52
 10 PRO  HB2    11 ALA  HA      4.92            #peak  8012 #SUP  0.89  #QF  0.89
 76 PHE  QD     87 ARG  HA      4.99            #peak  8076 #SUP  0.41  #QF  0.41
 26 PHE  QE     77 VAL  HA      5.33            #peak  8128 #SUP  0.83  #QF  0.52
 76 PHE  QD     77 VAL  HA      5.50            #peak  8128 #SUP  0.83  #QF  0.52
 77 VAL  HA     87 ARG  HB3     4.78            #peak  8137 #SUP  0.88  #QF  0.88
 59 GLY  QA     60 PRO  HD2     3.40            #peak  8172 #SUP  0.64  #QF  0.64
 43 GLU  HB3    94 ALA  QB      3.82            #peak  8324 #SUP  0.66  #QF  0.54
 44 VAL  QG1    94 ALA  QB      4.87            #peak  8336 #SUP  0.86  #QF  0.86
 40 LEU  HA     94 ALA  QB      4.15            #peak  8337 #SUP  0.85  #QF  0.71
 80 ARG  HB2    85 VAL  QG2     3.91            #peak  8420 #SUP  0.91  #QF  0.91
 40 LEU  HG     91 PRO  HA      5.21            #peak  8447 #SUP  0.85  #QF  0.85
 91 PRO  HA     97 LEU  HG      3.78            #peak  8451 #SUP  0.24  #QF  0.24
 91 PRO  HA     97 LEU  QD1     5.50            #peak  8464 #SUP  0.47  #QF  0.47
 83 ARG  HB3    84 GLU  H       4.42            #peak  8618 #SUP  0.52  #QF  0.52
 35 GLN  HG3    36 ALA  H       5.14            #peak  8706 #SUP  0.83  #QF  0.83
105 VAL  QG1   107 GLU  QG      3.47            #peak  8829 #SUP  0.52  #QF  0.52
 97 LEU  HB3    98 GLU  HG2     4.95            #peak  8846 #SUP  0.85  #QF  0.85
 40 LEU  QD1    93 SER  HA      4.23            #peak  8985 #SUP  0.79  #QF  0.79
 86 ALA  QB    104 LEU  HB3     4.91            #peak  9064 #SUP  0.65  #QF  0.65
 48 TYR  QE    105 VAL  QG1     3.40            #peak  9078 #SUP  0.92  #QF  0.92
 48 TYR  QD    105 VAL  QG1     3.83            #peak  9088 #SUP  0.92  #QF  0.92
105 VAL  QG1   106 GLY  QA      4.33            #peak  9091 #SUP  0.69  #QF  0.69
102 GLU  HA    105 VAL  QG1     3.54            #peak  9105 #SUP  0.88  #QF  0.88
 70 VAL  QG2    71 LYS  QE      5.50            #peak  9136 #SUP  0.57  #QF  0.57
 70 VAL  QG2    75 THR  HB      4.03            #peak  9156 #SUP  0.73  #QF  0.73
 51 VAL  QG2   101 PHE  QE      4.13            #peak  9179 #SUP  0.89  #QF  0.89
 26 PHE  QE     77 VAL  QG1     4.59            #peak  9217 #SUP  0.52  #QF  0.52
 77 VAL  QG1    87 ARG  HB3     4.37            #peak  9226 #SUP  0.91  #QF  0.91
 24 VAL  HB     77 VAL  QG1     4.88            #peak  9239 #SUP  0.87  #QF  0.87
 59 GLY  QA     60 PRO  HA      4.34            #peak  9263 #SUP  0.52  #QF  0.52
 13 ASP  QB     16 ASP  H       4.96            #peak  9370 #SUP  0.88  #QF  0.88
 11 ALA  QB     13 ASP  QB      3.88            #peak  9398 #SUP  0.40  #QF  0.40
 96 VAL  HB     97 LEU  H       4.31            #peak  9439 #SUP  0.77  #QF  0.77
 40 LEU  QD1    96 VAL  HB      5.03            #peak  9444 #SUP  0.83  #QF  0.83
100 ALA  HA    103 SER  HB2     3.79            #peak  9700 #SUP  0.71  #QF  0.71
 40 LEU  HA     43 GLU  HB2     4.50            #peak  9753 #SUP  0.56  #QF  0.56
 12 ARG  HA     15 LEU  HB2     4.49            #peak  9842 #SUP  0.92  #QF  0.92
 24 VAL  HB     77 VAL  HB      3.91            #peak  9920 #SUP  0.75  #QF  0.75
 73 TRP  HB3    74 PRO  QG      5.04            #peak 10040 #SUP  0.58  #QF  0.58
 75 THR  QG2    87 ARG  QD      4.33            #peak 10225 #SUP  0.23  #QF  0.23
 70 VAL  QG2    75 THR  QG2     3.21            #peak 10229 #SUP  0.72  #QF  0.72
 25 GLU  HA     75 THR  QG2     5.50            #peak 10237 #SUP  0.77  #QF  0.77
 69 GLN  QG     70 VAL  H       4.92            #peak 10286 #SUP  0.90  #QF  0.90
 24 VAL  HA     54 LEU  HB2     4.67            #peak 10373 #SUP  0.62  #QF  0.62
 78 PHE  HA     79 LEU  HA      4.61            #peak 10487 #SUP  0.41  #QF  0.41
 97 LEU  HB3   100 ALA  QB      5.42            #peak 10506 #SUP  0.68  #QF  0.68
 94 ALA  QB     97 LEU  HB3     4.51            #peak 10507 #SUP  0.87  #QF  0.87
 41 LEU  HA     97 LEU  HB3     4.84            #peak 10515 #SUP  0.61  #QF  0.61
 23 LEU  QD2    76 PHE  HB3     5.22            #peak 10606 #SUP  0.80  #QF  0.80
 23 LEU  QD2    76 PHE  HB2     4.57            #peak 10626 #SUP  0.92  #QF  0.92
 85 VAL  QG1    86 ALA  H       4.16            #peak 10630 #SUP  0.64  #QF  0.64
 11 ALA  HA     64 LEU  QD1     5.50            #peak 10693 #SUP  0.94  #QF  0.81
 64 LEU  HA     68 PHE  QE      4.84            #peak 10709 #SUP  0.79  #QF  0.79
 67 SER  HA     69 GLN  QG      4.15            #peak 10768 #SUP  0.37  #QF  0.37
 67 SER  HA     69 GLN  H       4.34            #peak 10771 #SUP  0.65  #QF  0.65
 34 CYS  HB2    35 GLN  HG2     4.83            #peak 10839 #SUP  0.62  #QF  0.62
 99 GLU  HA    100 ALA  QB      5.26            #peak 10876 #SUP  0.60  #QF  0.60
105 VAL  QG1   108 GLY  QA      5.29            #peak 10927 #SUP  0.50  #QF  0.50
107 GLU  HB3   108 GLY  QA      4.59            #peak 10931 #SUP  0.74  #QF  0.74
 36 ALA  HA     38 GLN  H       4.65            #peak 11024 #SUP  0.90  #QF  0.90
 36 ALA  HA     39 PRO  QD      3.42            #peak 11031 #SUP  0.69  #QF  0.69
 36 ALA  HA     37 ALA  HA      4.73            #peak 11036 #SUP  0.50  #QF  0.50
 65 GLY  HA3    70 VAL  QG2     4.70            #peak 11038 #SUP  0.69  #QF  0.69
 26 PHE  QE     65 GLY  HA3     5.20            #peak 11039 #SUP  0.70  #QF  0.70
 37 ALA  HA     38 GLN  HA      5.06            #peak 11142 #SUP  0.75  #QF  0.75
 37 ALA  HA     40 LEU  QD2     3.51            #peak 11147 #SUP  0.76  #QF  0.76
 36 ALA  QB     37 ALA  HA      4.11            #peak 11166 #SUP  0.86  #QF  0.86
 44 VAL  HB     97 LEU  HB2     5.50            #peak 11196 #SUP  0.79  #QF  0.44
 44 VAL  HB     98 GLU  QB      5.50            #peak 11196 #SUP  0.79  #QF  0.44
 44 VAL  HB     48 TYR  QD      5.20            #peak 11202 #SUP  0.59  #QF  0.59
 44 VAL  HB     97 LEU  HB3     4.78            #peak 11207 #SUP  0.58  #QF  0.58
 44 VAL  HB    101 PHE  QD      5.26            #peak 11219 #SUP  0.32  #QF  0.32
 86 ALA  QB     87 ARG  HB3     4.75            #peak 11226 #SUP  0.85  #QF  0.85
 41 LEU  HB3    42 ALA  HA      4.29            #peak 11274 #SUP  0.79  #QF  0.79
 42 ALA  HA     43 GLU  HG2     5.50            #peak 11279 #SUP  0.44  #QF  0.44
 41 LEU  HA     42 ALA  HA      5.06            #peak 11284 #SUP  0.43  #QF  0.43
 42 ALA  HA     45 PHE  QB      3.79            #peak 11293 #SUP  0.57  #QF  0.57
 18 LEU  HA     19 ALA  QB      3.90            #peak 11386 #SUP  0.43  #QF  0.43
 19 ALA  QB     20 GLY  H       3.72            #peak 11395 #SUP  0.50  #QF  0.50
 19 ALA  QB     81 ASP  HA      4.60            #peak 11396 #SUP  0.88  #QF  0.88
  9 ALA  QB     10 PRO  HD2     3.50            #peak 11544 #SUP  0.32  #QF  0.32
103 SER  HB3   104 LEU  QD2     4.82            #peak 11560 #SUP  0.73  #QF  0.73
100 ALA  HA    103 SER  HB3     3.79            #peak 11561 #SUP  0.66  #QF  0.66
103 SER  HB3   104 LEU  QD1     4.82            #peak 11566 #SUP  0.49  #QF  0.49
  4 ARG  QD      5 TYR  H       4.99            #peak 11625 #SUP  0.89  #QF  0.89
 12 ARG  HG2    15 LEU  QD2     6.19            #peak 11644 #SUP  0.55  #QF  0.55
 43 GLU  HB2    94 ALA  QB      3.92            #peak 11664 #SUP  0.75  #QF  0.75
 99 GLU  HB2   100 ALA  H       4.06            #peak 11750 #SUP  0.90  #QF  0.90
102 GLU  HB3   103 SER  H       4.40            #peak 11763 #SUP  0.56  #QF  0.56
101 PHE  H     102 GLU  HB3     5.50            #peak 11768 #SUP  0.69  #QF  0.69
 49 PRO  HB2    50 GLU  HA      4.44            #peak 11800 #SUP  0.63  #QF  0.63
 68 PHE  QE     79 LEU  QD1     4.18            #peak 11900 #SUP  0.85  #QF  0.85
 68 PHE  HZ     79 LEU  QD2     4.21            #peak 11925 #SUP  0.67  #QF  0.67
 39 PRO  QG     40 LEU  HB2     4.65            #peak 12050 #SUP  0.87  #QF  0.78
 22 THR  HA     53 HIS  HA      5.05            #peak 12361 #SUP  0.92  #QF  0.87
 24 VAL  HA     53 HIS  HA      5.50            #peak 12361 #SUP  0.92  #QF  0.87
 37 ALA  QB     40 LEU  HG      4.97            #peak 12481 #SUP  0.84  #QF  0.63
 37 ALA  QB     74 PRO  HB3     5.29            #peak 12481 #SUP  0.84  #QF  0.63
 85 VAL  HB     86 ALA  QB      4.89            #peak 12559 #SUP  0.85  #QF  0.85
 85 VAL  HB    104 LEU  HB3     5.30            #peak 12560 #SUP  0.71  #QF  0.56
 85 VAL  HB    104 LEU  HG      5.50            #peak 12560 #SUP  0.71  #QF  0.56
 99 GLU  HG2   100 ALA  HA      4.78            #peak 12619 #SUP  0.72  #QF  0.72
  5 TYR  HB2    28 THR  HA      4.52            #peak 12633 #SUP  0.61  #QF  0.61
 10 PRO  HG2    11 ALA  HA      5.07            #peak 12647 #SUP  0.36  #QF  0.36
 97 LEU  HB3    97 LEU  QD1     3.52            #peak 12673 #SUP  0.66  #QF  0.66
 97 LEU  HB2    97 LEU  QD1     3.63            #peak 12674 #SUP  0.54  #QF  0.54
 40 LEU  H      40 LEU  QD1     4.26            #peak 12698 #SUP  1.00
 97 LEU  H      98 GLU  QB      4.80            #peak 12816 #SUP  0.51  #QF  0.51
 93 SER  H      96 VAL  QG2     4.42            #peak 12820 #SUP  0.72  #QF  0.72
 99 GLU  HG2   100 ALA  QB      4.52            #peak 12824 #SUP  0.78  #QF  0.78
 30 TRP  HB3    30 TRP  HE1     4.79            #peak   182 #SUP  0.69  #QF  0.69
106 GLY  H     106 GLY  QA      2.53            #peak   184 #SUP  0.99  #QF  0.99
 30 TRP  H      30 TRP  HB2     3.86            #peak   186 #SUP  1.00
 30 TRP  H      30 TRP  HD1     3.52            #peak   189 #SUP  0.99  #QF  0.99
 30 TRP  H      30 TRP  HB3     3.66            #peak   193 #SUP  1.00
 69 GLN  H      69 GLN  HA      2.93            #peak   203 #SUP  1.00
 69 GLN  H      69 GLN  QG      3.06            #peak   204 #SUP  0.95  #QF  0.95
 41 LEU  H      41 LEU  HG      4.23            #peak   211 #SUP  0.96  #QF  0.96
 41 LEU  H      41 LEU  HB2     3.06            #peak   213 #SUP  0.95  #QF  0.95
 41 LEU  H      41 LEU  QD1     4.39            #peak   214 #SUP  0.96  #QF  0.96
 41 LEU  H      41 LEU  HB3     3.62            #peak   216 #SUP  0.96  #QF  0.96
 93 SER  H      93 SER  HB3     3.85            #peak   222 #SUP  0.99  #QF  0.99
 44 VAL  H      44 VAL  QG2     3.77            #peak   237 #SUP  0.99  #QF  0.99
 44 VAL  H      44 VAL  HB      3.21            #peak   240 #SUP  0.99  #QF  0.99
 96 VAL  H      96 VAL  HB      2.79            #peak   245 #SUP  0.94  #QF  0.94
 73 TRP  H      73 TRP  HE3     5.11            #peak   246 #SUP  0.89  #QF  0.89
 73 TRP  H      73 TRP  HB3     4.00            #peak   248 #SUP  0.90  #QF  0.90
 97 LEU  H      97 LEU  HB2     2.96            #peak   257 #SUP  1.00  #QF  0.83
 97 LEU  H      97 LEU  HB3     3.35            #peak   261 #SUP  0.99  #QF  0.99
 97 LEU  H      97 LEU  HG      4.75            #peak   262 #SUP  1.00
 86 ALA  H      86 ALA  QB      3.15            #peak   265 #SUP  0.99  #QF  0.99
 66 ARG  H      66 ARG  HG3     4.55            #peak   267 #SUP  1.00
 66 ARG  H      66 ARG  QD      4.77            #peak   272 #SUP  1.00
 12 ARG  H      12 ARG  QD      5.07            #peak   274 #SUP  0.77  #QF  0.77
 12 ARG  H      12 ARG  HB3     4.20            #peak   275 #SUP  0.77  #QF  0.77
 12 ARG  H      12 ARG  HB2     4.20            #peak   278 #SUP  0.77  #QF  0.77
 84 GLU  H      84 GLU  QG      4.26            #peak   286 #SUP  0.65  #QF  0.65
 84 GLU  H      84 GLU  HB2     2.99            #peak   288 #SUP  0.60  #QF  0.60
 84 GLU  H      84 GLU  HB3     3.01            #peak   289 #SUP  0.59  #QF  0.59
 25 GLU  H      25 GLU  HB3     3.70            #peak   305 #SUP  0.99  #QF  0.99
 25 GLU  H      25 GLU  HG2     4.94            #peak   307 #SUP  0.99  #QF  0.99
 25 GLU  H      25 GLU  HB2     3.70            #peak   309 #SUP  0.97  #QF  0.97
 25 GLU  H      25 GLU  HG3     4.94            #peak   310 #SUP  0.99  #QF  0.99
 46 SER  H      46 SER  QB      2.60            #peak   318 #SUP  0.90  #QF  0.90
 46 SER  H      46 SER  HA      2.86            #peak   319 #SUP  0.97  #QF  0.97
107 GLU  H     107 GLU  QG      3.40            #peak   321 #SUP  0.68  #QF  0.68
107 GLU  H     107 GLU  HB2     3.33            #peak   322 #SUP  0.76  #QF  0.76
107 GLU  H     107 GLU  HB3     3.51            #peak   323 #SUP  0.57  #QF  0.57
 54 LEU  HA     55 LYS  H       3.42            #peak   327 #SUP  0.92  #QF  0.65
 55 LYS  H      55 LYS  HE3     4.77            #peak   333 #SUP  0.76  #QF  0.76
 79 LEU  H      79 LEU  HG      4.54            #peak   337 #SUP  0.96  #QF  0.96
 79 LEU  H      79 LEU  QD2     4.45            #peak   338 #SUP  0.96  #QF  0.96
 79 LEU  H      79 LEU  HB2     4.14            #peak   339 #SUP  0.96  #QF  0.96
 79 LEU  H      79 LEU  QD1     4.45            #peak   342 #SUP  0.96  #QF  0.96
 17 ARG  H      17 ARG  HB2     3.04            #peak   360 #SUP  0.96  #QF  0.96
 17 ARG  H      17 ARG  QD      4.33            #peak   362 #SUP  0.99  #QF  0.99
 17 ARG  H      17 ARG  HB3     3.82            #peak   365 #SUP  0.99  #QF  0.99
 37 ALA  H      37 ALA  QB      2.88            #peak   366 #SUP  1.00
 40 LEU  H      40 LEU  HG      5.00            #peak   370 #SUP  0.99  #QF  0.90
 40 LEU  H      42 ALA  QB      5.28            #peak   370 #SUP  0.99  #QF  0.90
 40 LEU  H      40 LEU  HB3     3.74            #peak   372 #SUP  1.00
 40 LEU  H      40 LEU  HB2     3.51            #peak   375 #SUP  1.00
 29 ASP  H      29 ASP  HB3     3.73            #peak   376 #SUP  0.60  #QF  0.60
 29 ASP  H      29 ASP  HB2     3.73            #peak   378 #SUP  0.60  #QF  0.60
 70 VAL  H      70 VAL  QG1     3.85            #peak   380 #SUP  1.00
 70 VAL  H      70 VAL  QG2     3.85            #peak   384 #SUP  1.00
 45 PHE  H      45 PHE  QB      3.28            #peak   391 #SUP  0.61  #QF  0.61
 45 PHE  H      45 PHE  QD      4.05            #peak   394 #SUP  0.60  #QF  0.60
104 LEU  H     104 LEU  HB2     3.01            #peak   398 #SUP  0.91  #QF  0.91
104 LEU  H     104 LEU  HB3     3.67            #peak   403 #SUP  0.92  #QF  0.92
104 LEU  H     104 LEU  QD1     4.07            #peak   404 #SUP  0.92  #QF  0.92
 14 GLU  H      14 GLU  HB3     3.53            #peak   411 #SUP  0.99  #QF  0.99
 15 LEU  H      15 LEU  HB3     3.70            #peak   424 #SUP  0.92  #QF  0.92
 15 LEU  H      15 LEU  HB2     3.70            #peak   427 #SUP  0.92  #QF  0.92
 51 VAL  H      51 VAL  QG1     3.87            #peak   430 #SUP  0.80  #QF  0.80
 51 VAL  H      51 VAL  HB      3.14            #peak   432 #SUP  0.80  #QF  0.80
 78 PHE  H      78 PHE  HB2     3.61            #peak   443 #SUP  0.99  #QF  0.99
 78 PHE  H      78 PHE  HB3     3.69            #peak   448 #SUP  0.99  #QF  0.99
 89 VAL  H      89 VAL  QG1     3.89            #peak   457 #SUP  0.79  #QF  0.79
 35 GLN  H      35 GLN  HE22    4.90            #peak   463 #SUP  0.78  #QF  0.78
105 VAL  H     105 VAL  HB      3.50            #peak   469 #SUP  0.84  #QF  0.84
105 VAL  H     105 VAL  QG1     3.00            #peak   472 #SUP  0.83  #QF  0.83
  4 ARG  H       4 ARG  HE      3.31            #peak   475 #SUP  0.88  #QF  0.88
 84 GLU  HA     85 VAL  H       3.25            #peak   483 #SUP  0.97  #QF  0.66
 85 VAL  H      85 VAL  HB      3.89            #peak   485 #SUP  0.92  #QF  0.92
 90 ARG  H      90 ARG  QD      5.02            #peak   487 #SUP  0.87  #QF  0.87
 90 ARG  H      90 ARG  HG3     4.90            #peak   489 #SUP  0.92  #QF  0.92
 90 ARG  H      90 ARG  HG2     4.90            #peak   490 #SUP  0.91  #QF  0.91
 90 ARG  H      90 ARG  QB      3.49            #peak   491 #SUP  0.92  #QF  0.92
 13 ASP  H      13 ASP  QB      3.15            #peak   499 #SUP  0.81  #QF  0.81
 16 ASP  H      16 ASP  QB      3.23            #peak   505 #SUP  0.94  #QF  0.94
102 GLU  H     102 GLU  HG2     3.32            #peak   508 #SUP  0.95  #QF  0.95
102 GLU  H     102 GLU  HB2     3.65            #peak   509 #SUP  0.99  #QF  0.99
102 GLU  H     102 GLU  HB3     3.07            #peak   513 #SUP  0.96  #QF  0.96
 47 ASP  H      47 ASP  HB2     2.91            #peak   514 #SUP  0.88  #QF  0.88
 47 ASP  H      47 ASP  HB3     3.28            #peak   515 #SUP  0.97  #QF  0.97
101 PHE  H     101 PHE  QD      3.14            #peak   518 #SUP  1.00
101 PHE  H     101 PHE  HB3     3.60            #peak   519 #SUP  1.00
101 PHE  H     101 PHE  HB2     3.21            #peak   520 #SUP  0.99  #QF  0.99
 48 TYR  QE    101 PHE  H       5.50            #peak   522 #SUP  1.00  #QF  0.64
101 PHE  H     101 PHE  QE      5.50            #peak   522 #SUP  1.00  #QF  0.64
 72 LEU  H      72 LEU  HB3     3.79            #peak   532 #SUP  0.87  #QF  0.87
 31 CYS  H      31 CYS  HB3     3.32            #peak   538 #SUP  0.87  #QF  0.87
 31 CYS  H      31 CYS  HB2     3.32            #peak   540 #SUP  0.83  #QF  0.83
 83 ARG  H      83 ARG  QD      4.88            #peak   543 #SUP  1.00
 83 ARG  H      83 ARG  HG2     4.78            #peak   548 #SUP  0.95  #QF  0.95
 75 THR  H      75 THR  HB      3.99            #peak   555 #SUP  0.99  #QF  0.99
103 SER  H     103 SER  HB3     3.52            #peak   561 #SUP  0.79  #QF  0.79
 68 PHE  H      68 PHE  QE      5.26            #peak   564 #SUP  0.97  #QF  0.97
 90 ARG  HA     90 ARG  HE      4.97            #peak   568 #SUP  0.99  #QF  0.99
  4 ARG  H       4 ARG  HB2     4.14            #peak   573 #SUP  0.97  #QF  0.97
  4 ARG  H       4 ARG  HG3     4.47            #peak   575 #SUP  0.98  #QF  0.98
  5 TYR  H       5 TYR  HB3     4.00            #peak   578 #SUP  0.81  #QF  0.81
  8 GLU  H       8 GLU  HG2     3.78            #peak   581 #SUP  0.93  #QF  0.93
 14 GLU  H      14 GLU  HB2     3.53            #peak   583 #SUP  0.95  #QF  0.95
 22 THR  H      22 THR  HB      3.89            #peak   593 #SUP  0.87  #QF  0.87
 24 VAL  H      24 VAL  HB      4.02            #peak   595 #SUP  1.00
 24 VAL  H      24 VAL  QG2     4.03            #peak   597 #SUP  0.99  #QF  0.99
 26 PHE  H      26 PHE  QB      3.80            #peak   599 #SUP  0.99  #QF  0.99
  5 TYR  QE     26 PHE  H       4.98            #peak   600 #SUP  0.98  #QF  0.98
 26 PHE  H      26 PHE  QE      5.08            #peak   601 #SUP  0.99  #QF  0.94
 26 PHE  H      76 PHE  QD      5.34            #peak   601 #SUP  0.99  #QF  0.94
 28 THR  H      28 THR  HB      4.17            #peak   604 #SUP  1.00
 28 THR  H      28 THR  QG2     3.81            #peak   605 #SUP  1.00
 30 TRP  H      30 TRP  HE3     4.67            #peak   606 #SUP  0.98  #QF  0.98
 33 HIS  H      33 HIS  HB2     4.07            #peak   611 #SUP  0.86  #QF  0.86
 33 HIS  H      33 HIS  HB3     4.07            #peak   612 #SUP  0.94  #QF  0.94
 35 GLN  H      35 GLN  HE21    4.90            #peak   616 #SUP  0.84  #QF  0.84
 35 GLN  H      35 GLN  HG3     3.74            #peak   619 #SUP  0.97  #QF  0.97
 35 GLN  H      35 GLN  HG2     3.38            #peak   620 #SUP  0.97  #QF  0.97
 35 GLN  H      35 GLN  QB      3.04            #peak   621 #SUP  0.96  #QF  0.96
 38 GLN  H      38 GLN  HG3     4.00            #peak   623 #SUP  1.00
 38 GLN  H      38 GLN  HB2     3.70            #peak   624 #SUP  1.00
 38 GLN  H      38 GLN  HB3     3.70            #peak   625 #SUP  1.00
 43 GLU  H      43 GLU  HG2     4.30            #peak   627 #SUP  0.97  #QF  0.97
 43 GLU  H      43 GLU  HB2     3.50            #peak   628 #SUP  0.97  #QF  0.97
 48 TYR  H      48 TYR  QD      3.81            #peak   629 #SUP  0.92  #QF  0.92
 48 TYR  H      48 TYR  QE      4.81            #peak   630 #SUP  0.92  #QF  0.92
 48 TYR  H      48 TYR  HB2     3.29            #peak   633 #SUP  0.84  #QF  0.84
 50 GLU  H      50 GLU  QB      3.30            #peak   637 #SUP  0.99  #QF  0.99
 56 VAL  H      56 VAL  HB      3.73            #peak   639 #SUP  1.00
 57 GLU  H      57 GLU  HG2     4.65            #peak   643 #SUP  1.00
 57 GLU  H      57 GLU  HG3     4.65            #peak   644 #SUP  1.00
 57 GLU  H      57 GLU  HB2     3.98            #peak   645 #SUP  1.00
 57 GLU  H      57 GLU  HB3     3.98            #peak   646 #SUP  1.00  #QF  0.56
 67 SER  H      67 SER  QB      3.97            #peak   651 #SUP  1.00  #QF  0.96
 68 PHE  H      68 PHE  HB3     3.73            #peak   654 #SUP  0.98  #QF  0.98
 68 PHE  H      68 PHE  HB2     3.61            #peak   655 #SUP  0.98  #QF  0.98
 76 PHE  H      76 PHE  HB3     3.81            #peak   657 #SUP  0.96  #QF  0.96
 76 PHE  H      76 PHE  HB2     3.74            #peak   658 #SUP  0.96  #QF  0.96
 77 VAL  H      77 VAL  HB      3.49            #peak   660 #SUP  0.94  #QF  0.94
 77 VAL  H      77 VAL  QG1     3.98            #peak   661 #SUP  1.00
 80 ARG  H      80 ARG  QD      5.32            #peak   664 #SUP  0.99  #QF  0.99
 80 ARG  H      80 ARG  HB2     3.80            #peak   665 #SUP  0.89  #QF  0.89
 80 ARG  H      80 ARG  HG3     4.86            #peak   666 #SUP  0.99  #QF  0.99
 80 ARG  H      80 ARG  HB3     3.80            #peak   667 #SUP  0.99  #QF  0.99
 79 LEU  HG     80 ARG  H       4.70            #peak   668 #SUP  0.81  #QF  0.75
 80 ARG  H      80 ARG  HG2     5.38            #peak   668 #SUP  0.81  #QF  0.75
 80 ARG  HA     81 ASP  H       3.43            #peak   669 #SUP  1.00  #QF  0.92
 87 ARG  H      87 ARG  QD      4.71            #peak   673 #SUP  0.87  #QF  0.87
 87 ARG  H      87 ARG  HB3     3.64            #peak   674 #SUP  0.86  #QF  0.86
 87 ARG  H      87 ARG  HG2     3.66            #peak   676 #SUP  0.84  #QF  0.84
 93 SER  H      93 SER  HB2     3.85            #peak   679 #SUP  0.99  #QF  0.99
 95 SER  H      95 SER  QB      3.95            #peak   681 #SUP  0.95  #QF  0.77
 98 GLU  H      98 GLU  HG3     3.49            #peak   683 #SUP  0.97  #QF  0.97
 98 GLU  H      98 GLU  HG2     3.68            #peak   684 #SUP  0.97  #QF  0.97
 98 GLU  H      98 GLU  QB      2.75            #peak   685 #SUP  0.93  #QF  0.93
 98 GLU  QB     99 GLU  H       2.96            #peak   688 #SUP  0.78  #QF  0.78
 99 GLU  H      99 GLU  HB3     2.91            #peak   689 #SUP  0.82  #QF  0.82
100 ALA  H     100 ALA  QB      2.71            #peak   691 #SUP  0.97  #QF  0.97
 69 GLN  HB3    70 VAL  H       4.66            #peak    12 #SUP  0.99  #QF  0.99
 69 GLN  HB2    70 VAL  H       4.78            #peak    13 #SUP  1.00
 65 GLY  HA3    70 VAL  H       4.67            #peak    15 #SUP  0.78  #QF  0.78
 68 PHE  HB3    70 VAL  H       4.32            #peak    16 #SUP  0.85  #QF  0.85
 69 GLN  HA     70 VAL  H       3.35            #peak    18 #SUP  0.98  #QF  0.98
 68 PHE  H      70 VAL  H       4.36            #peak    22 #SUP  0.65  #QF  0.65
 69 GLN  H      70 VAL  H       3.41            #peak    27 #SUP  0.98  #QF  0.98
 32 GLY  H      35 GLN  HG2     4.99            #peak    34 #SUP  0.83  #QF  0.83
 79 LEU  H      85 VAL  QG2     4.87            #peak    52 #SUP  0.91  #QF  0.43
 79 LEU  H      79 LEU  HB3     4.07            #peak    55 #SUP  0.89  #QF  0.89
 78 PHE  HB3    79 LEU  H       4.80            #peak    56 #SUP  0.70  #QF  0.70
 22 THR  HB     79 LEU  H       4.72            #peak    58 #SUP  0.41  #QF  0.41
 78 PHE  HA     79 LEU  H       3.45            #peak    59 #SUP  0.97  #QF  0.62
 23 LEU  H      79 LEU  H       5.11            #peak    62 #SUP  0.99  #QF  0.88
 35 GLN  QB     35 GLN  HE21    5.08            #peak    75 #SUP  0.69  #QF  0.69
104 LEU  HB2   105 VAL  H       3.42            #peak   111 #SUP  0.66  #QF  0.66
101 PHE  HA    105 VAL  H       4.73            #peak   114 #SUP  0.83  #QF  0.83
102 GLU  HA    105 VAL  H       3.93            #peak   115 #SUP  0.73  #QF  0.73
 48 TYR  QD    105 VAL  H       5.50            #peak   117 #SUP  0.84  #QF  0.84
  5 TYR  HB2     6 SER  H       4.69            #peak   135 #SUP  0.61  #QF  0.61
  5 TYR  HB3     6 SER  H       4.45            #peak   136 #SUP  0.98  #QF  0.98
  5 TYR  HA      6 SER  H       3.49            #peak   137 #SUP  0.95  #QF  0.95
  6 SER  H      55 LYS  HA      4.83            #peak   140 #SUP  0.72  #QF  0.72
 31 CYS  HA     33 HIS  H       4.59            #peak   156 #SUP  0.91  #QF  0.91
 33 HIS  H      35 GLN  H       4.53            #peak   161 #SUP  0.92  #QF  0.92
 32 GLY  H      33 HIS  H       4.58            #peak   162 #SUP  0.86  #QF  0.86
 33 HIS  H      34 CYS  H       3.71            #peak   163 #SUP  0.78  #QF  0.78
 54 LEU  QD2    55 LYS  H       5.27            #peak   201 #SUP  0.71  #QF  0.71
 54 LEU  HB2    55 LYS  H       4.65            #peak   203 #SUP  0.48  #QF  0.48
 28 THR  HB     30 TRP  HE1     3.84            #peak   221 #SUP  0.62  #QF  0.62
 30 TRP  HB2    30 TRP  HE1     5.23            #peak   222 #SUP  0.51  #QF  0.51
 29 ASP  H      30 TRP  HE1     4.73            #peak   235 #SUP  0.58  #QF  0.58
 41 LEU  QD1    42 ALA  H       4.74            #peak   263 #SUP  0.33  #QF  0.33
 41 LEU  HB3    42 ALA  H       3.84            #peak   264 #SUP  0.42  #QF  0.42
 41 LEU  HB2    42 ALA  H       3.31            #peak   267 #SUP  0.43  #QF  0.43
 42 ALA  H      45 PHE  QB      4.90            #peak   269 #SUP  0.41  #QF  0.41
 39 PRO  HA     42 ALA  H       4.18            #peak   272 #SUP  0.56  #QF  0.56
 42 ALA  H      43 GLU  H       3.59            #peak   273 #SUP  0.35  #QF  0.35
 79 LEU  QD2    84 GLU  H       4.48            #peak   282 #SUP  0.58  #QF  0.58
 83 ARG  HA     84 GLU  H       2.83            #peak   287 #SUP  0.47  #QF  0.47
 79 LEU  HA     84 GLU  H       4.67            #peak   288 #SUP  0.45  #QF  0.45
 83 ARG  H      84 GLU  H       4.33            #peak   291 #SUP  0.65  #QF  0.65
 84 GLU  H      85 VAL  H       4.66            #peak   294 #SUP  0.64  #QF  0.64
 56 VAL  QG2    57 GLU  H       4.34            #peak   304 #SUP  1.00
  5 TYR  HB3    57 GLU  H       4.68            #peak   310 #SUP  0.95  #QF  0.95
 56 VAL  HA     57 GLU  H       3.26            #peak   312 #SUP  0.99  #QF  0.99
  7 ALA  HA     57 GLU  H       3.94            #peak   313 #SUP  0.92  #QF  0.92
  6 SER  HA     57 GLU  H       5.18            #peak   315 #SUP  0.98  #QF  0.98
  6 SER  H      57 GLU  H       4.14            #peak   318 #SUP  0.99  #QF  0.99
 40 LEU  HB2    41 LEU  H       3.37            #peak   340 #SUP  0.90  #QF  0.90
 37 ALA  HA     41 LEU  H       4.25            #peak   349 #SUP  0.94  #QF  0.94
 40 LEU  H      41 LEU  H       3.15            #peak   350 #SUP  0.86  #QF  0.86
 41 LEU  H      43 GLU  H       4.21            #peak   352 #SUP  0.88  #QF  0.88
 41 LEU  H      42 ALA  H       3.44            #peak   357 #SUP  0.95  #QF  0.95
105 VAL  QG1   106 GLY  H       3.12            #peak   362 #SUP  0.77  #QF  0.77
106 GLY  H     107 GLU  HB2     4.66            #peak   364 #SUP  0.73  #QF  0.73
105 VAL  HB    106 GLY  H       3.97            #peak   365 #SUP  0.99  #QF  0.99
102 GLU  HA    106 GLY  H       4.15            #peak   368 #SUP  0.93  #QF  0.93
103 SER  H     106 GLY  H       4.94            #peak   373 #SUP  0.90  #QF  0.90
104 LEU  H     106 GLY  H       4.11            #peak   374 #SUP  0.88  #QF  0.88
106 GLY  H     107 GLU  H       3.56            #peak   377 #SUP  0.88  #QF  0.88
106 GLY  H     108 GLY  H       4.62            #peak   379 #SUP  0.86  #QF  0.86
 44 VAL  QG2    46 SER  H       4.83            #peak   387 #SUP  0.98  #QF  0.98
 42 ALA  QB     46 SER  H       5.29            #peak   390 #SUP  0.81  #QF  0.81
 46 SER  H      47 ASP  HB2     5.11            #peak   393 #SUP  0.96  #QF  0.96
 45 PHE  QB     46 SER  H       3.29            #peak   394 #SUP  0.70  #QF  0.70
 46 SER  H      47 ASP  HA      5.50            #peak   399 #SUP  0.65  #QF  0.65
 45 PHE  H      46 SER  H       3.28            #peak   409 #SUP  0.54  #QF  0.54
 28 THR  QG2    30 TRP  H       4.36            #peak   418 #SUP  0.89  #QF  0.89
 29 ASP  HB2    30 TRP  H       4.81            #peak   421 #SUP  0.98  #QF  0.98
 28 THR  H      30 TRP  H       4.56            #peak   430 #SUP  0.99  #QF  0.99
 29 ASP  H      30 TRP  H       3.33            #peak   437 #SUP  0.89  #QF  0.89
 80 ARG  HG2    81 ASP  H       4.19            #peak   450 #SUP  0.95  #QF  0.59
 80 ARG  HB3    81 ASP  H       4.69            #peak   451 #SUP  0.99  #QF  0.99
 80 ARG  HB2    81 ASP  H       4.69            #peak   452 #SUP  0.70  #QF  0.70
 21 PRO  HA     81 ASP  H       5.40            #peak   461 #SUP  0.95  #QF  0.95
 26 PHE  H      75 THR  QG2     5.01            #peak   495 #SUP  0.70  #QF  0.70
 25 GLU  HB3    26 PHE  H       4.61            #peak   497 #SUP  0.98  #QF  0.98
 25 GLU  HB2    26 PHE  H       4.61            #peak   499 #SUP  0.66  #QF  0.66
 25 GLU  HA     26 PHE  H       3.16            #peak   507 #SUP  0.83  #QF  0.83
 26 PHE  H      75 THR  HA      5.50            #peak   508 #SUP  0.93  #QF  0.93
 26 PHE  H      75 THR  H       4.11            #peak   517 #SUP  0.89  #QF  0.89
 26 PHE  H      77 VAL  H       4.95            #peak   520 #SUP  0.52  #QF  0.52
 26 PHE  H      76 PHE  H       5.38            #peak   521 #SUP  0.98  #QF  0.98
 86 ALA  QB     87 ARG  H       2.82            #peak   552 #SUP  0.84  #QF  0.84
 77 VAL  HA     87 ARG  H       4.80            #peak   558 #SUP  0.87  #QF  0.87
 86 ALA  HA     87 ARG  H       2.72            #peak   560 #SUP  0.75  #QF  0.75
 86 ALA  H      87 ARG  H       4.39            #peak   564 #SUP  0.84  #QF  0.84
 78 PHE  H      87 ARG  H       4.33            #peak   566 #SUP  0.85  #QF  0.85
 87 ARG  H      88 VAL  H       4.39            #peak   568 #SUP  0.87  #QF  0.87
 76 PHE  H      88 VAL  QG1     4.43            #peak   582 #SUP  0.92  #QF  0.92
 75 THR  QG2    76 PHE  H       3.41            #peak   583 #SUP  0.53  #QF  0.53
 76 PHE  H      87 ARG  HB2     4.68            #peak   585 #SUP  0.55  #QF  0.55
 76 PHE  H      88 VAL  HB      3.99            #peak   586 #SUP  0.69  #QF  0.69
 75 THR  HB     76 PHE  H       4.27            #peak   589 #SUP  0.96  #QF  0.96
 75 THR  HA     76 PHE  H       3.09            #peak   592 #SUP  0.95  #QF  0.95
 75 THR  H      76 PHE  H       4.69            #peak   598 #SUP  0.88  #QF  0.88
 76 PHE  H      89 VAL  H       5.36            #peak   600 #SUP  0.97  #QF  0.97
 77 VAL  QG1    78 PHE  H       4.16            #peak   613 #SUP  0.88  #QF  0.88
 78 PHE  H     104 LEU  QD1     5.50            #peak   614 #SUP  0.98  #QF  0.97
 78 PHE  H      86 ALA  QB      4.36            #peak   615 #SUP  1.00
 78 PHE  H      87 ARG  HB2     4.28            #peak   617 #SUP  0.61  #QF  0.61
 77 VAL  HA     78 PHE  H       3.30            #peak   621 #SUP  0.96  #QF  0.96
 24 VAL  H      78 PHE  H       5.03            #peak   631 #SUP  0.94  #QF  0.94
 77 VAL  H      78 PHE  H       4.64            #peak   633 #SUP  0.57  #QF  0.57
 22 THR  HB     23 LEU  H       4.91            #peak   651 #SUP  0.61  #QF  0.61
 23 LEU  H      53 HIS  HA      4.69            #peak   654 #SUP  0.52  #QF  0.52
 55 LYS  HG3    56 VAL  H       5.50            #peak   666 #SUP  1.00
 56 VAL  H      56 VAL  QG1     4.00            #peak   669 #SUP  0.99  #QF  0.99
 55 LYS  HA     56 VAL  H       3.13            #peak   680 #SUP  0.64  #QF  0.64
 25 GLU  HA     56 VAL  H       5.50            #peak   682 #SUP  0.89  #QF  0.89
 26 PHE  HA     56 VAL  H       4.30            #peak   684 #SUP  0.98  #QF  0.98
  5 TYR  QE     56 VAL  H       4.92            #peak   685 #SUP  1.00
  5 TYR  QD     56 VAL  H       4.66            #peak   688 #SUP  0.79  #QF  0.79
 56 VAL  H      57 GLU  H       4.56            #peak   690 #SUP  0.94  #QF  0.94
 55 LYS  H      56 VAL  H       4.67            #peak   691 #SUP  1.00
 23 LEU  HB2    24 VAL  H       4.48            #peak   705 #SUP  0.92  #QF  0.92
 22 THR  QG2    24 VAL  H       4.59            #peak   707 #SUP  0.82  #QF  0.82
 23 LEU  HG     24 VAL  H       4.13            #peak   708 #SUP  0.98  #QF  0.98
 24 VAL  H      77 VAL  HB      4.25            #peak   711 #SUP  0.94  #QF  0.94
 23 LEU  HB3    24 VAL  H       4.38            #peak   712 #SUP  0.84  #QF  0.84
 24 VAL  H      76 PHE  HB2     5.15            #peak   713 #SUP  0.96  #QF  0.96
 23 LEU  HA     24 VAL  H       3.05            #peak   715 #SUP  0.90  #QF  0.90
 24 VAL  H      25 GLU  HA      5.07            #peak   716 #SUP  0.86  #QF  0.86
 23 LEU  H      24 VAL  H       4.54            #peak   718 #SUP  0.99  #QF  0.99
 66 ARG  HG3    67 SER  H       4.92            #peak   728 #SUP  0.74  #QF  0.74
 67 SER  H      68 PHE  HB2     4.72            #peak   730 #SUP  0.93  #QF  0.93
 65 GLY  HA2    67 SER  H       4.83            #peak   731 #SUP  0.66  #QF  0.66
 67 SER  H      68 PHE  HA      5.19            #peak   735 #SUP  0.93  #QF  0.93
 66 ARG  H      67 SER  H       3.95            #peak   737 #SUP  0.66  #QF  0.66
 69 GLN  HB2    69 GLN  HE22    4.09            #peak   754 #SUP  0.52  #QF  0.52
 68 PHE  HA     69 GLN  HE22    3.50            #peak   762 #SUP  0.74  #QF  0.74
 69 GLN  H      69 GLN  HE22    5.05            #peak   767 #SUP  0.85  #QF  0.85
101 PHE  HB2   102 GLU  H       3.65            #peak   779 #SUP  0.99  #QF  0.99
101 PHE  HB3   102 GLU  H       2.90            #peak   784 #SUP  0.82  #QF  0.82
 48 TYR  QE    102 GLU  H       4.47            #peak   789 #SUP  0.96  #QF  0.96
 81 ASP  HB2    83 ARG  H       4.74            #peak   850 #SUP  0.76  #QF  0.76
 82 GLY  H      83 ARG  H       3.32            #peak   861 #SUP  0.83  #QF  0.83
 80 ARG  H      83 ARG  H       3.23            #peak   864 #SUP  0.95  #QF  0.95
 79 LEU  QD1    80 ARG  H       4.21            #peak   877 #SUP  0.90  #QF  0.90
 80 ARG  H      85 VAL  QG2     3.47            #peak   878 #SUP  0.96  #QF  0.96
 80 ARG  H      84 GLU  HA      3.96            #peak   885 #SUP  0.97  #QF  0.97
 79 LEU  HA     80 ARG  H       3.02            #peak   887 #SUP  0.71  #QF  0.71
 79 LEU  H      80 ARG  H       4.58            #peak   895 #SUP  0.92  #QF  0.92
 11 ALA  QB     14 GLU  H       3.54            #peak   903 #SUP  0.97  #QF  0.97
 13 ASP  QB     14 GLU  H       3.77            #peak   907 #SUP  0.69  #QF  0.69
 12 ARG  HA     14 GLU  H       4.90            #peak   908 #SUP  0.64  #QF  0.64
 14 GLU  H      15 LEU  H       3.32            #peak   915 #SUP  0.72  #QF  0.72
  4 ARG  HB2     5 TYR  H       4.26            #peak   932 #SUP  0.75  #QF  0.75
  4 ARG  HA      5 TYR  H       3.23            #peak   938 #SUP  0.70  #QF  0.70
  5 TYR  H       5 TYR  QD      4.18            #peak   940 #SUP  0.55  #QF  0.55
 72 LEU  H      72 LEU  HB2     3.79            #peak   954 #SUP  0.76  #QF  0.76
 71 LYS  HB3    72 LEU  H       3.65            #peak   955 #SUP  0.67  #QF  0.67
 71 LYS  HB2    72 LEU  H       3.65            #peak   956 #SUP  0.82  #QF  0.82
 71 LYS  H      72 LEU  H       3.91            #peak   967 #SUP  0.76  #QF  0.76
 89 VAL  QG2    90 ARG  H       4.43            #peak   989 #SUP  0.91  #QF  0.91
 89 VAL  QG1    90 ARG  H       4.43            #peak   990 #SUP  0.84  #QF  0.84
 74 PRO  QG     90 ARG  H       4.02            #peak   995 #SUP  0.69  #QF  0.69
 89 VAL  HA     90 ARG  H       3.51            #peak  1001 #SUP  0.71  #QF  0.71
 75 THR  HA     90 ARG  H       4.43            #peak  1002 #SUP  0.50  #QF  0.50
 69 GLN  HB2    69 GLN  HE21    3.84            #peak  1022 #SUP  0.48  #QF  0.48
 69 GLN  HE21   70 VAL  H       5.50            #peak  1034 #SUP  0.73  #QF  0.73
 28 THR  HB     29 ASP  H       3.41            #peak  1044 #SUP  0.55  #QF  0.55
 70 VAL  QG1    75 THR  H       5.35            #peak  1056 #SUP  0.88  #QF  0.88
 70 VAL  QG2    75 THR  H       5.35            #peak  1057 #SUP  0.88  #QF  0.88
 75 THR  H      76 PHE  HA      4.87            #peak  1064 #SUP  0.85  #QF  0.85
 26 PHE  QD     75 THR  H       5.00            #peak  1070 #SUP  0.63  #QF  0.63
100 ALA  QB    104 LEU  H       4.77            #peak  1083 #SUP  0.84  #QF  0.84
104 LEU  H     105 VAL  HB      4.30            #peak  1089 #SUP  0.87  #QF  0.87
101 PHE  HA    104 LEU  H       3.94            #peak  1092 #SUP  0.92  #QF  0.92
100 ALA  HA    104 LEU  H       4.34            #peak  1093 #SUP  0.61  #QF  0.61
103 SER  HB3   104 LEU  H       4.14            #peak  1094 #SUP  0.48  #QF  0.48
104 LEU  H     105 VAL  H       3.11            #peak  1104 #SUP  0.88  #QF  0.88
102 GLU  H     104 LEU  H       4.38            #peak  1105 #SUP  0.87  #QF  0.87
 52 GLY  H      53 HIS  H       4.65            #peak  1119 #SUP  0.67  #QF  0.67
 36 ALA  H      37 ALA  QB      4.51            #peak  1128 #SUP  0.98  #QF  0.98
 33 HIS  HA     36 ALA  H       4.48            #peak  1133 #SUP  0.97  #QF  0.97
 44 VAL  QG2    98 GLU  H       4.02            #peak  1153 #SUP  0.97  #QF  0.97
 97 LEU  HG     98 GLU  H       5.07            #peak  1155 #SUP  0.71  #QF  0.71
 98 GLU  H      99 GLU  HB3     4.97            #peak  1160 #SUP  0.86  #QF  0.86
 94 ALA  HA     98 GLU  H       3.83            #peak  1164 #SUP  0.59  #QF  0.59
 96 VAL  H      98 GLU  H       4.36            #peak  1169 #SUP  0.77  #QF  0.77
 99 GLU  HB3   100 ALA  H       3.09            #peak  1188 #SUP  0.90  #QF  0.90
 99 GLU  HG3   100 ALA  H       4.66            #peak  1189 #SUP  1.00
100 ALA  H     102 GLU  HG3     5.10            #peak  1189 #SUP  1.00
 99 GLU  HG2   100 ALA  H       3.69            #peak  1190 #SUP  0.87  #QF  0.87
100 ALA  H     101 PHE  HA      5.22            #peak  1192 #SUP  0.99  #QF  0.99
 98 GLU  HA    100 ALA  H       4.57            #peak  1194 #SUP  0.81  #QF  0.81
 97 LEU  HA    100 ALA  H       3.89            #peak  1196 #SUP  0.83  #QF  0.83
 99 GLU  H     100 ALA  H       3.14            #peak  1207 #SUP  0.95  #QF  0.95
100 ALA  H     102 GLU  H       4.50            #peak  1209 #SUP  0.99  #QF  0.99
 98 GLU  H     100 ALA  H       4.50            #peak  1210 #SUP  1.00
 44 VAL  QG2    45 PHE  H       4.40            #peak  1235 #SUP  0.61  #QF  0.61
 44 VAL  HB     45 PHE  H       3.97            #peak  1238 #SUP  0.37  #QF  0.37
102 GLU  HA    107 GLU  H       4.33            #peak  1305 #SUP  0.78  #QF  0.67
106 GLY  QA    107 GLU  H       2.92            #peak  1306 #SUP  0.77  #QF  0.77
107 GLU  H     108 GLY  H       4.26            #peak  1314 #SUP  0.74  #QF  0.74
 10 PRO  HB3    11 ALA  H       3.54            #peak  1320 #SUP  0.93  #QF  0.93
 10 PRO  HB2    11 ALA  H       3.29            #peak  1322 #SUP  0.92  #QF  0.92
 10 PRO  HA     11 ALA  H       2.93            #peak  1326 #SUP  0.88  #QF  0.88
 11 ALA  H      14 GLU  H       4.54            #peak  1328 #SUP  0.92  #QF  0.92
 11 ALA  H      12 ARG  H       4.66            #peak  1332 #SUP  0.68  #QF  0.68
 18 LEU  QD1    82 GLY  H       4.95            #peak  1339 #SUP  0.63  #QF  0.63
 79 LEU  HB3    82 GLY  H       4.99            #peak  1343 #SUP  0.99  #QF  0.99
 81 ASP  HB2    82 GLY  H       4.80            #peak  1345 #SUP  1.00
 19 ALA  HA     82 GLY  H       3.40            #peak  1347 #SUP  0.58  #QF  0.58
 81 ASP  H      82 GLY  H       3.89            #peak  1354 #SUP  0.87  #QF  0.87
 28 THR  H      34 CYS  HB2     4.06            #peak  1367 #SUP  0.32  #QF  0.32
 28 THR  H      29 ASP  HA      4.91            #peak  1369 #SUP  0.95  #QF  0.95
  5 TYR  QE     28 THR  H       4.50            #peak  1374 #SUP  0.97  #QF  0.97
 27 GLY  H      28 THR  H       4.54            #peak  1380 #SUP  0.98  #QF  0.98
 28 THR  H      29 ASP  H       4.43            #peak  1383 #SUP  0.92  #QF  0.92
 40 LEU  QD1    44 VAL  H       4.31            #peak  1404 #SUP  0.52  #QF  0.52
 43 GLU  HB2    44 VAL  H       3.11            #peak  1410 #SUP  0.91  #QF  0.91
 44 VAL  H      45 PHE  QB      4.68            #peak  1411 #SUP  0.99  #QF  0.99
 41 LEU  H      44 VAL  H       5.18            #peak  1419 #SUP  0.97  #QF  0.97
 42 ALA  H      44 VAL  H       4.92            #peak  1421 #SUP  0.99  #QF  0.99
 44 VAL  H      45 PHE  H       3.37            #peak  1422 #SUP  0.54  #QF  0.54
 84 GLU  QG     86 ALA  H       3.37            #peak  1433 #SUP  0.69  #QF  0.69
 78 PHE  HB2    86 ALA  H       3.50            #peak  1435 #SUP  0.97  #QF  0.97
 85 VAL  HA     86 ALA  H       3.53            #peak  1437 #SUP  0.63  #QF  0.63
 79 LEU  HA     86 ALA  H       4.39            #peak  1439 #SUP  0.68  #QF  0.68
 86 ALA  H      87 ARG  HA      4.77            #peak  1440 #SUP  0.99  #QF  0.99
 78 PHE  H      86 ALA  H       3.77            #peak  1447 #SUP  0.99  #QF  0.99
 85 VAL  H      86 ALA  H       2.98            #peak  1450 #SUP  0.88  #QF  0.88
 79 LEU  H      86 ALA  H       5.50            #peak  1451 #SUP  0.93  #QF  0.93
 14 GLU  HB3    15 LEU  H       4.20            #peak  1465 #SUP  0.91  #QF  0.91
 15 LEU  H      16 ASP  QB      4.76            #peak  1467 #SUP  0.85  #QF  0.85
 66 ARG  H      67 SER  HA      5.50            #peak  1490 #SUP  0.99  #QF  0.99
 65 GLY  H      66 ARG  H       4.68            #peak  1496 #SUP  0.65  #QF  0.65
 76 PHE  HB2    88 VAL  H       4.57            #peak  1502 #SUP  0.96  #QF  0.96
 87 ARG  QD     88 VAL  H       4.27            #peak  1504 #SUP  0.98  #QF  0.98
 77 VAL  HA     88 VAL  H       4.23            #peak  1506 #SUP  0.99  #QF  0.99
 76 PHE  HA     88 VAL  H       5.50            #peak  1508 #SUP  1.00  #QF  0.98
 88 VAL  H      89 VAL  HA      5.50            #peak  1508 #SUP  1.00  #QF  0.98
 75 THR  HA     88 VAL  H       5.39            #peak  1509 #SUP  0.94  #QF  0.94
 87 ARG  HA     88 VAL  H       3.14            #peak  1510 #SUP  0.97  #QF  0.97
 76 PHE  QD     88 VAL  H       4.30            #peak  1513 #SUP  0.91  #QF  0.91
 78 PHE  H      88 VAL  H       4.32            #peak  1517 #SUP  0.99  #QF  0.99
 88 VAL  H      89 VAL  H       4.53            #peak  1518 #SUP  0.91  #QF  0.91
 76 PHE  H      88 VAL  H       3.87            #peak  1521 #SUP  0.99  #QF  0.99
 88 VAL  H     100 ALA  QB      5.11            #peak  1524 #SUP  0.93  #QF  0.93
 77 VAL  QG1    88 VAL  H       5.17            #peak  1526 #SUP  0.74  #QF  0.74
 75 THR  QG2    88 VAL  H       4.38            #peak  1528 #SUP  0.95  #QF  0.95
 87 ARG  HB2    88 VAL  H       3.96            #peak  1530 #SUP  0.59  #QF  0.59
 88 VAL  H      88 VAL  HB      3.51            #peak  1531 #SUP  0.77  #QF  0.77
 87 ARG  HB3    88 VAL  H       4.17            #peak  1532 #SUP  0.98  #QF  0.98
 97 LEU  H     100 ALA  QB      5.24            #peak  1544 #SUP  0.95  #QF  0.95
 40 LEU  QD1    97 LEU  H       4.47            #peak  1547 #SUP  0.54  #QF  0.54
 96 VAL  QG1    97 LEU  H       4.11            #peak  1549 #SUP  0.98  #QF  0.98
 94 ALA  HA     97 LEU  H       3.64            #peak  1557 #SUP  0.55  #QF  0.55
 93 SER  H      97 LEU  H       4.73            #peak  1567 #SUP  0.71  #QF  0.71
 97 LEU  H      99 GLU  H       4.34            #peak  1569 #SUP  0.80  #QF  0.80
 95 SER  H      97 LEU  H       4.73            #peak  1571 #SUP  0.73  #QF  0.73
 97 LEU  H      98 GLU  H       3.04            #peak  1572 #SUP  0.99  #QF  0.99
 68 PHE  HB3    69 GLN  H       4.34            #peak  1603 #SUP  0.88  #QF  0.88
 65 GLY  HA2    69 GLN  H       4.55            #peak  1604 #SUP  0.68  #QF  0.68
 68 PHE  H      69 GLN  H       3.36            #peak  1609 #SUP  0.65  #QF  0.65
 66 ARG  H      69 GLN  H       5.33            #peak  1610 #SUP  1.00  #QF  0.94
 68 PHE  QD     69 GLN  H       5.50            #peak  1610 #SUP  1.00  #QF  0.94
 67 SER  H      69 GLN  H       4.21            #peak  1614 #SUP  0.97  #QF  0.97
 58 ASP  HA     59 GLY  H       3.30            #peak  1626 #SUP  0.58  #QF  0.58
 12 ARG  QD     13 ASP  H       5.11            #peak  1646 #SUP  0.83  #QF  0.83
 13 ASP  H      14 GLU  HA      5.49            #peak  1650 #SUP  0.64  #QF  0.64
 13 ASP  H      14 GLU  H       3.65            #peak  1654 #SUP  0.85  #QF  0.85
 13 ASP  H      15 LEU  H       4.63            #peak  1655 #SUP  0.60  #QF  0.60
 65 GLY  HA3    68 PHE  H       4.75            #peak  1679 #SUP  0.96  #QF  0.96
 65 GLY  HA2    68 PHE  H       4.26            #peak  1681 #SUP  0.66  #QF  0.66
 67 SER  H      68 PHE  H       3.68            #peak  1689 #SUP  0.91  #QF  0.91
  4 ARG  H       4 ARG  HB3     4.14            #peak  1704 #SUP  0.76  #QF  0.65
  4 ARG  H       4 ARG  HG2     4.47            #peak  1704 #SUP  0.76  #QF  0.65
  4 ARG  H       4 ARG  QD      4.68            #peak  1707 #SUP  0.98  #QF  0.98
 17 ARG  HB2    18 LEU  H       3.31            #peak  1728 #SUP  0.79  #QF  0.79
 17 ARG  HB3    18 LEU  H       4.19            #peak  1729 #SUP  0.97  #QF  0.97
 16 ASP  QB     18 LEU  H       5.22            #peak  1730 #SUP  0.97  #QF  0.97
 15 LEU  HA     18 LEU  H       3.88            #peak  1732 #SUP  0.96  #QF  0.96
 15 LEU  H      18 LEU  H       5.50            #peak  1741 #SUP  0.71  #QF  0.71
 16 ASP  H      18 LEU  H       4.25            #peak  1742 #SUP  0.96  #QF  0.96
  8 GLU  H       9 ALA  QB      5.40            #peak  1750 #SUP  0.93  #QF  0.61
  8 GLU  H       8 GLU  QB      2.86            #peak  1753 #SUP  0.85  #QF  0.85
  8 GLU  H       8 GLU  HG3     3.78            #peak  1754 #SUP  0.95  #QF  0.95
  6 SER  QB      8 GLU  H       3.84            #peak  1756 #SUP  0.80  #QF  0.80
  6 SER  HA      8 GLU  H       4.04            #peak  1759 #SUP  0.93  #QF  0.93
  7 ALA  H       8 GLU  H       4.65            #peak  1771 #SUP  0.97  #QF  0.97
 18 LEU  QD1    19 ALA  H       4.90            #peak  1778 #SUP  0.58  #QF  0.58
 48 TYR  H      49 PRO  HD2     4.13            #peak  1800 #SUP  0.91  #QF  0.91
 48 TYR  H      49 PRO  HD3     3.81            #peak  1801 #SUP  0.90  #QF  0.90
 46 SER  HA     48 TYR  H       4.52            #peak  1803 #SUP  0.92  #QF  0.92
 45 PHE  H      48 TYR  H       5.24            #peak  1815 #SUP  0.51  #QF  0.51
 35 GLN  H      36 ALA  QB      4.54            #peak  1825 #SUP  0.97  #QF  0.97
 35 GLN  H      37 ALA  QB      5.10            #peak  1826 #SUP  0.93  #QF  0.93
 34 CYS  HB3    35 GLN  H       3.72            #peak  1830 #SUP  0.90  #QF  0.90
 32 GLY  HA2    35 GLN  H       3.88            #peak  1832 #SUP  0.86  #QF  0.86
 33 HIS  HA     35 GLN  H       4.44            #peak  1836 #SUP  0.85  #QF  0.85
 35 GLN  H      37 ALA  H       4.26            #peak  1841 #SUP  0.87  #QF  0.87
 35 GLN  H      36 ALA  H       3.45            #peak  1843 #SUP  0.92  #QF  0.92
 34 CYS  H      35 GLN  H       3.83            #peak  1847 #SUP  0.96  #QF  0.96
 27 GLY  H      56 VAL  HA      5.50            #peak  1868 #SUP  0.99  #QF  0.99
 27 GLY  H      57 GLU  HA      4.36            #peak  1870 #SUP  0.93  #QF  0.93
 26 PHE  HA     27 GLY  H       3.12            #peak  1872 #SUP  0.96  #QF  0.96
  5 TYR  QE     27 GLY  H       4.20            #peak  1873 #SUP  0.87  #QF  0.87
  5 TYR  QD     27 GLY  H       3.94            #peak  1874 #SUP  0.85  #QF  0.85
 27 GLY  H      58 ASP  H       4.20            #peak  1876 #SUP  0.99  #QF  0.99
 26 PHE  H      27 GLY  H       4.45            #peak  1877 #SUP  0.97  #QF  0.97
 27 GLY  H      56 VAL  H       4.51            #peak  1878 #SUP  1.00
 27 GLY  H      28 THR  QG2     4.31            #peak  1880 #SUP  1.00
 26 PHE  QB     27 GLY  H       3.94            #peak  1888 #SUP  1.00
 27 GLY  H      28 THR  HA      4.87            #peak  1889 #SUP  0.99  #QF  0.99
 40 LEU  QD1    93 SER  H       3.85            #peak  1905 #SUP  0.61  #QF  0.61
 40 LEU  HG     93 SER  H       4.78            #peak  1909 #SUP  1.00
 92 GLY  H      93 SER  H       3.88            #peak  1932 #SUP  0.96  #QF  0.96
 93 SER  H      94 ALA  H       4.40            #peak  1933 #SUP  1.00
 16 ASP  QB     17 ARG  H       3.65            #peak  1947 #SUP  0.95  #QF  0.95
 14 GLU  HA     17 ARG  H       3.98            #peak  1949 #SUP  0.85  #QF  0.51
 15 LEU  HA     17 ARG  H       4.41            #peak  1949 #SUP  0.85  #QF  0.51
 17 ARG  H      18 LEU  HA      5.06            #peak  1950 #SUP  0.84  #QF  0.84
 15 LEU  H      17 ARG  H       4.49            #peak  1955 #SUP  0.71  #QF  0.71
 16 ASP  H      17 ARG  H       3.65            #peak  1956 #SUP  0.96  #QF  0.96
 99 GLU  H     100 ALA  HA      5.50            #peak  1970 #SUP  0.84  #QF  0.84
 95 SER  HA     99 GLU  H       4.41            #peak  1972 #SUP  0.82  #QF  0.82
 99 GLU  H     101 PHE  H       4.30            #peak  1979 #SUP  0.79  #QF  0.79
 99 GLU  H     102 GLU  H       5.06            #peak  1980 #SUP  0.74  #QF  0.74
 99 GLU  H     100 ALA  QB      4.60            #peak  1984 #SUP  0.76  #QF  0.76
 45 PHE  QB     47 ASP  H       4.80            #peak  2000 #SUP  0.59  #QF  0.59
 46 SER  QB     47 ASP  H       3.15            #peak  2003 #SUP  0.73  #QF  0.73
 46 SER  HA     47 ASP  H       3.56            #peak  2004 #SUP  0.99  #QF  0.99
 47 ASP  H      48 TYR  HA      5.10            #peak  2007 #SUP  0.99  #QF  0.99
 47 ASP  H      48 TYR  H       2.90            #peak  2014 #SUP  0.69  #QF  0.69
 45 PHE  H      47 ASP  H       4.48            #peak  2018 #SUP  0.59  #QF  0.59
 22 THR  H      79 LEU  HB2     4.61            #peak  2027 #SUP  0.61  #QF  0.61
 21 PRO  QB     22 THR  H       4.16            #peak  2029 #SUP  0.89  #QF  0.89
 22 THR  H      80 ARG  HA      4.66            #peak  2033 #SUP  0.88  #QF  0.88
 21 PRO  HA     22 THR  H       3.39            #peak  2034 #SUP  0.81  #QF  0.81
 22 THR  H      23 LEU  H       5.08            #peak  2035 #SUP  0.97  #QF  0.88
 22 THR  H      80 ARG  H       5.50            #peak  2035 #SUP  0.97  #QF  0.88
 31 CYS  H      34 CYS  HB3     4.17            #peak  2044 #SUP  0.63  #QF  0.63
 31 CYS  H      34 CYS  HB2     3.84            #peak  2045 #SUP  0.49  #QF  0.49
 29 ASP  H      31 CYS  H       4.64            #peak  2057 #SUP  0.82  #QF  0.82
 31 CYS  H      34 CYS  H       4.65            #peak  2059 #SUP  0.73  #QF  0.73
 75 THR  QG2    77 VAL  H       4.11            #peak  2074 #SUP  0.78  #QF  0.78
 24 VAL  HB     77 VAL  H       4.29            #peak  2076 #SUP  1.00
 76 PHE  HB2    77 VAL  H       4.01            #peak  2081 #SUP  0.97  #QF  0.97
 76 PHE  HB3    77 VAL  H       4.30            #peak  2082 #SUP  0.97  #QF  0.97
 76 PHE  HA     77 VAL  H       2.99            #peak  2085 #SUP  0.85  #QF  0.85
 26 PHE  QE     77 VAL  H       4.63            #peak  2089 #SUP  0.92  #QF  0.92
 24 VAL  H      77 VAL  H       3.88            #peak  2092 #SUP  0.94  #QF  0.94
 76 PHE  H      77 VAL  H       4.41            #peak  2095 #SUP  1.00
 88 VAL  QG1    89 VAL  H       3.02            #peak  2107 #SUP  0.64  #QF  0.64
 88 VAL  HA     89 VAL  H       2.77            #peak  2115 #SUP  0.68  #QF  0.68
 75 THR  HA     89 VAL  H       5.50            #peak  2117 #SUP  0.80  #QF  0.80
 89 VAL  H      90 ARG  H       4.69            #peak  2120 #SUP  0.43  #QF  0.43
 40 LEU  QD1    96 VAL  H       4.92            #peak  2132 #SUP  0.54  #QF  0.54
 93 SER  HA     96 VAL  H       5.09            #peak  2142 #SUP  0.91  #QF  0.91
 93 SER  H      96 VAL  H       3.82            #peak  2150 #SUP  0.64  #QF  0.64
 96 VAL  H      99 GLU  H       4.75            #peak  2152 #SUP  0.73  #QF  0.73
 95 SER  H      96 VAL  H       4.07            #peak  2154 #SUP  0.63  #QF  0.63
 84 GLU  HB2    85 VAL  H       4.20            #peak  2169 #SUP  0.74  #QF  0.74
 84 GLU  QG     85 VAL  H       4.01            #peak  2170 #SUP  0.68  #QF  0.68
 78 PHE  HB2    85 VAL  H       4.66            #peak  2173 #SUP  0.91  #QF  0.91
 79 LEU  HA     85 VAL  H       3.95            #peak  2175 #SUP  0.64  #QF  0.64
 35 GLN  QB     35 GLN  HE22    5.08            #peak  2194 #SUP  0.64  #QF  0.64
 34 CYS  HB3    35 GLN  HE22    4.99            #peak  2197 #SUP  0.72  #QF  0.72
 22 THR  QG2    52 GLY  H       4.47            #peak  2222 #SUP  0.80  #QF  0.80
 51 VAL  QG2    52 GLY  H       4.62            #peak  2223 #SUP  0.99  #QF  0.99
 51 VAL  HB     52 GLY  H       4.33            #peak  2226 #SUP  0.93  #QF  0.93
 51 VAL  HA     52 GLY  H       3.38            #peak  2228 #SUP  0.89  #QF  0.89
 38 GLN  H      38 GLN  HG2     4.00            #peak  2245 #SUP  0.61  #QF  0.61
 38 GLN  H      40 LEU  H       4.92            #peak  2247 #SUP  0.94  #QF  0.94
 37 ALA  H      40 LEU  QD2     5.50            #peak  2264 #SUP  1.00
 36 ALA  QB     37 ALA  H       3.21            #peak  2265 #SUP  0.88  #QF  0.88
 37 ALA  H      39 PRO  QD      3.76            #peak  2272 #SUP  0.90  #QF  0.90
 37 ALA  H      38 GLN  H       3.37            #peak  2280 #SUP  0.95  #QF  0.95
 36 ALA  H      37 ALA  H       3.33            #peak  2281 #SUP  0.97  #QF  0.97
 16 ASP  H      17 ARG  QD      5.48            #peak  2296 #SUP  0.92  #QF  0.92
 14 GLU  HA     16 ASP  H       4.47            #peak  2298 #SUP  0.98  #QF  0.69
 14 GLU  H      16 ASP  H       4.12            #peak  2302 #SUP  0.94  #QF  0.94
 15 LEU  H      16 ASP  H       3.59            #peak  2304 #SUP  0.68  #QF  0.68
 13 ASP  H      16 ASP  H       5.30            #peak  2306 #SUP  0.84  #QF  0.84
 40 LEU  H      41 LEU  HB2     4.46            #peak  2324 #SUP  0.85  #QF  0.85
 38 GLN  HB3    40 LEU  H       4.96            #peak  2325 #SUP  0.96  #QF  0.96
 38 GLN  HB2    40 LEU  H       4.96            #peak  2326 #SUP  0.96  #QF  0.96
 39 PRO  QD     40 LEU  H       4.03            #peak  2328 #SUP  0.92  #QF  0.92
 37 ALA  HA     40 LEU  H       4.15            #peak  2330 #SUP  0.99  #QF  0.99
 48 TYR  HB2    51 VAL  H       4.26            #peak  2345 #SUP  0.60  #QF  0.60
 48 TYR  HB3    51 VAL  H       4.43            #peak  2348 #SUP  0.76  #QF  0.76
 49 PRO  HA     51 VAL  H       3.99            #peak  2352 #SUP  0.68  #QF  0.68
 48 TYR  HA     51 VAL  H       5.09            #peak  2353 #SUP  0.79  #QF  0.79
 51 VAL  H     101 PHE  QE      5.50            #peak  2354 #SUP  0.81  #QF  0.81
100 ALA  QB    101 PHE  H       3.18            #peak  2380 #SUP  0.95  #QF  0.95
101 PHE  H     102 GLU  HG3     4.22            #peak  2389 #SUP  0.95  #QF  0.95
 98 GLU  HA    101 PHE  H       3.64            #peak  2395 #SUP  0.68  #QF  0.68
 97 LEU  HA    101 PHE  H       4.30            #peak  2397 #SUP  1.00
100 ALA  H     101 PHE  H       3.03            #peak  2401 #SUP  1.00
101 PHE  H     102 GLU  H       3.23            #peak  2407 #SUP  0.97  #QF  0.97
 90 ARG  QB     90 ARG  HE      4.92            #peak  2427 #SUP  1.00
 74 PRO  QG     90 ARG  HE      5.50            #peak  2428 #SUP  0.71  #QF  0.71
 25 GLU  H      55 LYS  HA      4.02            #peak  2486 #SUP  0.75  #QF  0.75
 25 GLU  H      53 HIS  HD2     4.40            #peak  2492 #SUP  0.99  #QF  0.99
 24 VAL  H      25 GLU  H       4.53            #peak  2494 #SUP  0.99  #QF  0.99
 29 ASP  H      30 TRP  HA      5.17            #peak  2511 #SUP  0.45  #QF  0.45
 29 ASP  H      30 TRP  HB2     5.50            #peak  2512 #SUP  0.56  #QF  0.56
 28 THR  HA     30 TRP  HE1     5.01            #peak  2518 #SUP  0.69  #QF  0.69
 40 LEU  H      42 ALA  H       4.58            #peak  2540 #SUP  1.00
 42 ALA  HA     45 PHE  H       4.63            #peak  2548 #SUP  0.47  #QF  0.47
 46 SER  H      48 TYR  H       4.16            #peak  2551 #SUP  0.77  #QF  0.77
 47 ASP  H      48 TYR  QE      4.43            #peak  2552 #SUP  0.88  #QF  0.88
 48 TYR  HA     50 GLU  H       4.22            #peak  2558 #SUP  0.97  #QF  0.97
 48 TYR  HB3    50 GLU  H       4.65            #peak  2563 #SUP  0.96  #QF  0.96
 49 PRO  QG     50 GLU  H       3.66            #peak  2567 #SUP  0.80  #QF  0.80
 28 THR  H      58 ASP  H       5.50            #peak  2586 #SUP  0.43  #QF  0.43
 28 THR  HA     58 ASP  H       4.74            #peak  2589 #SUP  0.58  #QF  0.58
  5 TYR  HB3    58 ASP  H       5.50            #peak  2590 #SUP  0.35  #QF  0.35
 76 PHE  H      89 VAL  QG1     5.50            #peak  2615 #SUP  0.90  #QF  0.90
 78 PHE  H      86 ALA  HA      4.86            #peak  2617 #SUP  0.99  #QF  0.99
 24 VAL  H      79 LEU  H       4.72            #peak  2618 #SUP  0.70  #QF  0.70
101 PHE  QD    102 GLU  H       4.59            #peak  2645 #SUP  0.99  #QF  0.99
 72 LEU  H      73 TRP  H       4.68            #peak  2649 #SUP  0.72  #QF  0.72
 72 LEU  HA     73 TRP  H       3.21            #peak  2656 #SUP  0.84  #QF  0.84
 72 LEU  HG     73 TRP  H       3.89            #peak  2660 #SUP  0.91  #QF  0.49
 72 LEU  QD1    73 TRP  H       4.64            #peak  2664 #SUP  0.67  #QF  0.67
107 GLU  QG    108 GLY  H       4.81            #peak  2673 #SUP  0.62  #QF  0.62
107 GLU  HB2   108 GLY  H       4.60            #peak  2674 #SUP  0.75  #QF  0.75
102 GLU  HB2   108 GLY  H       5.00            #peak  2675 #SUP  0.92  #QF  0.53
107 GLU  HB3   108 GLY  H       5.42            #peak  2675 #SUP  0.92  #QF  0.53
105 VAL  QG1   107 GLU  H       4.25            #peak  2676 #SUP  0.71  #QF  0.71
105 VAL  H     107 GLU  H       4.32            #peak  2678 #SUP  0.68  #QF  0.68
104 LEU  HA    105 VAL  H       3.55            #peak  2681 #SUP  0.84  #QF  0.84
101 PHE  H     103 SER  H       4.22            #peak  2684 #SUP  0.51  #QF  0.51
100 ALA  H     103 SER  H       4.76            #peak  2688 #SUP  0.83  #QF  0.83
100 ALA  HA    103 SER  H       3.55            #peak  2694 #SUP  0.47  #QF  0.47
102 GLU  HG3   103 SER  H       3.27            #peak  2696 #SUP  0.79  #QF  0.79
102 GLU  HB2   103 SER  H       3.80            #peak  2697 #SUP  0.72  #QF  0.72
103 SER  H     104 LEU  QD1     5.46            #peak  2701 #SUP  0.49  #QF  0.49
 73 TRP  HA     73 TRP  HE1     4.89            #peak  2809 #SUP  0.97  #QF  0.97
 73 TRP  HB2    73 TRP  HE1     4.90            #peak  2812 #SUP  0.96  #QF  0.96
 58 ASP  HB2    73 TRP  HE1     3.83            #peak  2814 #SUP  0.95  #QF  0.95
 80 ARG  H      82 GLY  H       4.75            #peak  2820 #SUP  0.98  #QF  0.98
  4 ARG  H       5 TYR  H       4.76            #peak  2821 #SUP  0.66  #QF  0.66
  5 TYR  H       5 TYR  QE      5.03            #peak  2823 #SUP  0.61  #QF  0.61
  5 TYR  H      55 LYS  HB3     5.50            #peak  2825 #SUP  0.81  #QF  0.81
  5 TYR  H       6 SER  H       4.80            #peak  2826 #SUP  0.67  #QF  0.67
  6 SER  H       7 ALA  H       5.50            #peak  2828 #SUP  0.94  #QF  0.76
  8 GLU  H       9 ALA  H       4.03            #peak  2829 #SUP  0.98  #QF  0.98
 11 ALA  H      15 LEU  H       4.99            #peak  2831 #SUP  0.80  #QF  0.80
 12 ARG  HA     16 ASP  H       5.10            #peak  2838 #SUP  0.95  #QF  0.95
 25 GLU  H      26 PHE  HA      5.19            #peak  2846 #SUP  0.97  #QF  0.97
 26 PHE  H      56 VAL  H       5.43            #peak  2847 #SUP  0.99  #QF  0.99
  5 TYR  QD     29 ASP  H       5.14            #peak  2852 #SUP  0.79  #QF  0.45
 29 ASP  H      57 GLU  HG2     5.31            #peak  2853 #SUP  0.41  #QF  0.41
 31 CYS  H      32 GLY  H       5.11            #peak  2855 #SUP  0.91  #QF  0.91
 28 THR  H      31 CYS  H       4.44            #peak  2856 #SUP  0.94  #QF  0.94
 33 HIS  H      74 PRO  QG      5.50            #peak  2860 #SUP  0.85  #QF  0.85
 34 CYS  H      36 ALA  H       4.99            #peak  2861 #SUP  0.68  #QF  0.68
 43 GLU  HB2    45 PHE  H       5.24            #peak  2862 #SUP  0.58  #QF  0.58
 48 TYR  H      50 GLU  H       5.50            #peak  2864 #SUP  0.92  #QF  0.92
 23 LEU  H      52 GLY  H       4.80            #peak  2868 #SUP  0.98  #QF  0.98
 59 GLY  H      60 PRO  HA      5.32            #peak  2871 #SUP  0.53  #QF  0.53
 26 PHE  QE     65 GLY  H       4.89            #peak  2872 #SUP  0.31  #QF  0.31
 69 GLN  H      70 VAL  HB      5.50            #peak  2874 #SUP  0.75  #QF  0.75
 80 ARG  H      85 VAL  H       4.00            #peak  2878 #SUP  0.90  #QF  0.90
105 VAL  HB    107 GLU  H       4.68            #peak  2883 #SUP  0.77  #QF  0.77
  4 ARG  HB3     5 TYR  H       4.26            #peak    30 #SUP  0.99  #QF  0.29
 19 ALA  H      19 ALA  QB      2.84            #peak    33 #SUP  0.94  #QF  0.94
 45 PHE  HA     45 PHE  QD      3.21            #peak   140 #SUP  0.85  #QF  0.82
 80 ARG  HA     80 ARG  QD      4.45            #peak   199 #SUP  1.00
 68 PHE  QD     77 VAL  HB      4.13            #peak   205 #SUP  0.81  #QF  0.81
 22 THR  H      22 THR  QG2     3.98            #peak   215 #SUP  1.00
 22 THR  HA     22 THR  QG2     3.25            #peak   217 #SUP  1.00
 77 VAL  H      77 VAL  QG2     3.98            #peak   313 #SUP  1.00
 64 LEU  H      64 LEU  HG      4.62            #peak   361 #SUP  1.00
 11 ALA  H      11 ALA  QB      2.79            #peak   401 #SUP  0.97  #QF  0.97
 70 VAL  HA     70 VAL  QG2     3.71            #peak   416 #SUP  1.00
 36 ALA  H      36 ALA  QB      2.97            #peak   418 #SUP  1.00
  5 TYR  QD     28 THR  HA      4.51            #peak   501 #SUP  1.00  #QF  0.65
 99 GLU  H      99 GLU  HB2     3.34            #peak   517 #SUP  0.99  #QF  0.99
 68 PHE  H      68 PHE  QD      3.33            #peak   525 #SUP  0.81  #QF  0.81
 48 TYR  H      48 TYR  HB3     4.08            #peak   531 #SUP  1.00
 87 ARG  H      87 ARG  HB2     4.08            #peak   543 #SUP  1.00
 11 ALA  QB     13 ASP  H       3.37            #peak   545 #SUP  0.98  #QF  0.62
 44 VAL  HA     98 GLU  HG2     3.41            #peak   639 #SUP  1.00
 98 GLU  HG3    99 GLU  H       5.00            #peak   652 #SUP  1.00  #QF  0.70
 99 GLU  H      99 GLU  HG2     5.29            #peak   652 #SUP  1.00  #QF  0.70
 99 GLU  HA     99 GLU  HG2     3.81            #peak   654 #SUP  1.00
 54 LEU  H      54 LEU  HG      5.06            #peak   676 #SUP  1.00
 54 LEU  HA     54 LEU  HG      3.90            #peak   681 #SUP  1.00
 18 LEU  H      18 LEU  HG      3.65            #peak   736 #SUP  1.00
 18 LEU  QB     18 LEU  HG      2.83            #peak   738 #SUP  1.00
 23 LEU  HB2    23 LEU  QD1     3.48            #peak   741 #SUP  1.00
 23 LEU  HB3    23 LEU  QD1     3.88            #peak   743 #SUP  1.00
 23 LEU  H      23 LEU  QD1     4.79            #peak   744 #SUP  1.00
 23 LEU  HA     23 LEU  QD1     4.08            #peak   746 #SUP  1.00
 85 VAL  H      85 VAL  QG2     3.55            #peak   752 #SUP  1.00
 44 VAL  HA     44 VAL  QG2     3.22            #peak   753 #SUP  1.00
 88 VAL  HA     88 VAL  QG2     3.17            #peak   767 #SUP  1.00
 56 VAL  H      56 VAL  QG2     4.00            #peak   770 #SUP  1.00
 68 PHE  QD     68 PHE  HZ      3.99            #peak   785 #SUP  0.83  #QF  0.83
 26 PHE  H      26 PHE  QD      3.97            #peak   807 #SUP  1.00
 18 LEU  H      18 LEU  QB      3.12            #peak   847 #SUP  1.00  #QF  0.99
 18 LEU  QD2    20 GLY  H       5.48            #peak   859 #SUP  1.00  #QF  0.27
 38 GLN  HB3    39 PRO  QD      4.89            #peak   912 #SUP  1.00
 18 LEU  HA     18 LEU  QD1     4.15            #peak   936 #SUP  1.00
 30 TRP  HA     35 GLN  HE22    3.53            #peak   989 #SUP  1.00
 24 VAL  HA     24 VAL  QG2     3.41            #peak   993 #SUP  1.00
 87 ARG  H      87 ARG  HG3     3.66            #peak  1039 #SUP  0.94  #QF  0.21
 55 LYS  HB2    55 LYS  HE2     4.56            #peak  1094 #SUP  1.00  #QF  0.22
 79 LEU  HB2    79 LEU  HG      2.95            #peak  1097 #SUP  0.67  #QF  0.49
 86 ALA  QB    104 LEU  HG      3.12            #peak  1097 #SUP  0.67  #QF  0.49
 41 LEU  HA     41 LEU  HG      3.67            #peak  1101 #SUP  1.00
105 VAL  QG1   107 GLU  HB2     2.97            #peak  1104 #SUP  0.98  #QF  0.98
 40 LEU  H      40 LEU  QD2     3.57            #peak  1112 #SUP  1.00
 85 VAL  QG2   104 LEU  HG      3.88            #peak  1135 #SUP  1.00  #QF  0.78
 54 LEU  H      54 LEU  QD2     4.77            #peak  1178 #SUP  1.00
 54 LEU  H      54 LEU  QD1     4.77            #peak  1180 #SUP  0.87  #QF  0.55
 46 SER  HA     46 SER  QB      2.59            #peak  1207 #SUP  1.00
 41 LEU  H      41 LEU  QD2     4.39            #peak  1320 #SUP  1.00
 69 GLN  H      69 GLN  HE21    4.01            #peak  1330 #SUP  1.00
 69 GLN  HB3    69 GLN  HE21    5.00            #peak  1332 #SUP  1.00
 18 LEU  HA     19 ALA  H       2.95            #peak  1337 #SUP  0.98  #QF  0.64
  6 SER  H       6 SER  QB      3.40            #peak  1339 #SUP  1.00
 44 VAL  H      44 VAL  QG1     3.77            #peak  1344 #SUP  1.00
 96 VAL  H      96 VAL  QG2     3.79            #peak  1347 #SUP  1.00
 97 LEU  H      97 LEU  QD1     4.37            #peak  1363 #SUP  1.00
 15 LEU  HB3    15 LEU  QD1     3.44            #peak  1371 #SUP  1.00
 45 PHE  QE     53 HIS  HB3     4.40            #peak  1498 #SUP  0.78  #QF  0.78
 88 VAL  H      88 VAL  QG2     3.57            #peak  1555 #SUP  1.00
 88 VAL  H      88 VAL  QG1     3.91            #peak  1558 #SUP  1.00
 23 LEU  H      23 LEU  HB3     3.71            #peak  1567 #SUP  0.99  #QF  0.99
 71 LYS  H      71 LYS  QD      4.57            #peak  1573 #SUP  1.00  #QF  0.60
 42 ALA  H      42 ALA  QB      2.86            #peak  1664 #SUP  0.99  #QF  0.99
 35 GLN  HG2    35 GLN  HE21    3.78            #peak  1682 #SUP  1.00
 35 GLN  HG3    35 GLN  HE21    3.87            #peak  1685 #SUP  1.00
 69 GLN  H      69 GLN  HB3     4.10            #peak  1755 #SUP  1.00
102 GLU  HB2   107 GLU  H       4.25            #peak  1763 #SUP  1.00  #QF  0.29
102 GLU  H     102 GLU  HG3     3.76            #peak  1775 #SUP  1.00
 54 LEU  HA     54 LEU  QD2     3.87            #peak  1789 #SUP  0.98  #QF  0.98
 79 LEU  HA     79 LEU  QD2     3.90            #peak  1821 #SUP  1.00
 97 LEU  HB2    97 LEU  QD2     3.63            #peak  1845 #SUP  1.00
 97 LEU  H      97 LEU  QD2     4.37            #peak  1847 #SUP  1.00
 97 LEU  HB3    97 LEU  QD2     3.52            #peak  1849 #SUP  1.00
 18 LEU  H      18 LEU  QD2     4.14            #peak  1866 #SUP  1.00
 88 VAL  HA     88 VAL  QG1     3.39            #peak  1892 #SUP  1.00
 33 HIS  HD2    74 PRO  QG      4.64            #peak  1905 #SUP  0.73  #QF  0.23
 55 LYS  H      55 LYS  HE2     4.61            #peak  1946 #SUP  0.99  #QF  0.60
 94 ALA  H      94 ALA  QB      3.37            #peak  2046 #SUP  1.00
 70 VAL  H      70 VAL  HB      3.55            #peak  2104 #SUP  1.00
104 LEU  H     104 LEU  QD2     4.07            #peak  2123 #SUP  1.00
  8 GLU  QB      8 GLU  HG3     2.93            #peak  2228 #SUP  0.99  #QF  0.99
 40 LEU  HB3    40 LEU  QD1     3.40            #peak  2263 #SUP  1.00
105 VAL  QG1   107 GLU  HA      4.24            #peak  2283 #SUP  1.00
 54 LEU  HB2    54 LEU  QD2     3.41            #peak  2288 #SUP  1.00  #QF  0.25
 51 VAL  HA     51 VAL  QG2     3.57            #peak  2292 #SUP  1.00
 15 LEU  H      15 LEU  QD2     4.48            #peak  2352 #SUP  0.95  #QF  0.95
 15 LEU  H      15 LEU  HG      4.64            #peak  2356 #SUP  1.00
 51 VAL  H      51 VAL  QG2     3.87            #peak  2360 #SUP  1.00
 89 VAL  H      89 VAL  HB      3.68            #peak  2380 #SUP  0.90  #QF  0.90
 22 THR  QG2    23 LEU  H       3.39            #peak  2382 #SUP  0.31  #QF  0.31
  7 ALA  H       7 ALA  QB      3.93            #peak  2385 #SUP  1.00  #QF  0.42
  9 ALA  H       9 ALA  QB      3.06            #peak  2423 #SUP  1.00
103 SER  H     103 SER  HB2     3.52            #peak  2470 #SUP  0.99  #QF  0.99
 43 GLU  HB2    43 GLU  HG2     2.69            #peak  2481 #SUP  0.99  #QF  0.99
 35 GLN  HG3    35 GLN  HE22    3.87            #peak  2517 #SUP  1.00
 33 HIS  HA     36 ALA  QB      3.57            #peak  2525 #SUP  1.00
 75 THR  HA     75 THR  QG2     3.47            #peak  2586 #SUP  1.00
 75 THR  H      75 THR  QG2     4.33            #peak  2587 #SUP  1.00
 44 VAL  QG2    97 LEU  HB3     3.84            #peak  2658 #SUP  1.00
 56 VAL  HA     56 VAL  QG1     3.23            #peak  2665 #SUP  0.32  #QF  0.32
 23 LEU  HB3    23 LEU  QD2     3.88            #peak  2672 #SUP  1.00
 23 LEU  H      23 LEU  QD2     4.79            #peak  2673 #SUP  1.00
 23 LEU  HA     23 LEU  QD2     4.08            #peak  2675 #SUP  0.98  #QF  0.84
 85 VAL  H      85 VAL  QG1     3.20            #peak  2681 #SUP  0.98  #QF  0.98
 88 VAL  QG2   100 ALA  H       4.29            #peak   427 #SUP  0.95  #QF  0.95
 24 VAL  QG2    77 VAL  H       4.61            #peak   484 #SUP  0.81  #QF  0.81
 76 PHE  H      76 PHE  HZ      5.11            #peak   493 #SUP  0.97  #QF  0.97
 76 PHE  H      89 VAL  QG2     5.50            #peak   507 #SUP  0.71  #QF  0.71
 76 PHE  H      87 ARG  HA      5.50            #peak   513 #SUP  0.99  #QF  0.99
 34 CYS  HB2    35 GLN  H       4.42            #peak  3253 #SUP  0.88  #QF  0.88
 64 LEU  HA     67 SER  H       4.66            #peak  3264 #SUP  0.73  #QF  0.73
 98 GLU  H      99 GLU  H       3.38            #peak  3311 #SUP  0.90  #QF  0.90
 98 GLU  HG2    99 GLU  H       5.25            #peak  3313 #SUP  0.66  #QF  0.66
 97 LEU  HA     99 GLU  H       4.86            #peak  3323 #SUP  0.90  #QF  0.90
 96 VAL  HA     99 GLU  H       3.85            #peak  3325 #SUP  0.90  #QF  0.90
 68 PHE  H      70 VAL  HB      5.50            #peak  3338 #SUP  0.48  #QF  0.21
 78 PHE  QE    104 LEU  HB3     5.50            #peak  3338 #SUP  0.48  #QF  0.21
 37 ALA  QB     38 GLN  H       3.55            #peak  3351 #SUP  0.88  #QF  0.88
 45 PHE  HA     48 TYR  H       3.75            #peak  3360 #SUP  0.81  #QF  0.81
 48 TYR  H      49 PRO  QG      5.06            #peak  3368 #SUP  1.00
  7 ALA  QB      8 GLU  H       3.46            #peak  3389 #SUP  0.96  #QF  0.96
 50 GLU  H      51 VAL  HB      5.24            #peak  3394 #SUP  1.00
 50 GLU  H      51 VAL  H       3.28            #peak  3395 #SUP  0.93  #QF  0.93
 79 LEU  QD2    80 ARG  H       4.21            #peak  3410 #SUP  0.94  #QF  0.94
 80 ARG  H      85 VAL  QG1     3.67            #peak  3419 #SUP  0.94  #QF  0.94
 79 LEU  HB2    80 ARG  H       4.22            #peak  3421 #SUP  0.67  #QF  0.67
 44 VAL  QG1    98 GLU  H       4.02            #peak  4348 #SUP  0.88  #QF  0.88
 95 SER  HA     98 GLU  H       4.12            #peak  4349 #SUP  0.64  #QF  0.64
 96 VAL  HA     98 GLU  H       5.02            #peak  4359 #SUP  0.85  #QF  0.85
 94 ALA  QB     98 GLU  H       4.16            #peak  4361 #SUP  0.78  #QF  0.78
 97 LEU  HB3    98 GLU  H       4.27            #peak  4364 #SUP  0.75  #QF  0.75
  3 THR  QG2     4 ARG  H       4.26            #peak  4403 #SUP  0.91  #QF  0.91
  7 ALA  QB     57 GLU  H       5.10            #peak  4481 #SUP  0.95  #QF  0.95
  6 SER  QB     57 GLU  H       4.19            #peak  4482 #SUP  0.86  #QF  0.86
 56 VAL  QG1    57 GLU  H       4.34            #peak  4483 #SUP  0.71  #QF  0.71
 56 VAL  HB     57 GLU  H       4.66            #peak  4490 #SUP  0.99  #QF  0.99
 28 THR  QG2    30 TRP  HE1     3.45            #peak  4552 #SUP  0.85  #QF  0.85
103 SER  HA    106 GLY  H       4.30            #peak  5415 #SUP  0.94  #QF  0.59
104 LEU  HA    106 GLY  H       4.63            #peak  5415 #SUP  0.94  #QF  0.59
104 LEU  HB2   106 GLY  H       5.32            #peak  5416 #SUP  0.70  #QF  0.70
105 VAL  QG2   106 GLY  H       4.56            #peak  5418 #SUP  1.00
 28 THR  QG2    73 TRP  HZ2     3.47            #peak  5429 #SUP  0.70  #QF  0.70
 28 THR  HA     30 TRP  H       4.56            #peak  5430 #SUP  0.99  #QF  0.99
  6 SER  H      56 VAL  HA      3.99            #peak  7137 #SUP  0.73  #QF  0.73
 43 GLU  HG2    44 VAL  H       4.66            #peak  7144 #SUP  0.41  #QF  0.41
 44 VAL  H      94 ALA  QB      4.31            #peak  7148 #SUP  0.65  #QF  0.65
 40 LEU  HA     44 VAL  H       4.48            #peak  7154 #SUP  0.74  #QF  0.74
 94 ALA  QB     96 VAL  H       5.09            #peak  7161 #SUP  0.66  #QF  0.66
 95 SER  QB     96 VAL  H       4.25            #peak  7163 #SUP  0.66  #QF  0.66
 88 VAL  QG1    97 LEU  H       4.89            #peak  7178 #SUP  0.91  #QF  0.91
 96 VAL  QG2    97 LEU  H       4.11            #peak  7181 #SUP  0.73  #QF  0.73
 12 ARG  H      64 LEU  QD2     5.50            #peak  7977 #SUP  0.99  #QF  0.99
 18 LEU  QD1    20 GLY  H       5.48            #peak  7978 #SUP  0.95  #QF  0.88
 11 ALA  QB     12 ARG  H       3.65            #peak  7980 #SUP  1.00
 12 ARG  H      13 ASP  H       4.25            #peak  7986 #SUP  0.94  #QF  0.94
 86 ALA  QB     88 VAL  H       5.29            #peak  7993 #SUP  0.96  #QF  0.96
 77 VAL  QG2    88 VAL  H       5.17            #peak  8001 #SUP  0.96  #QF  0.96
 79 LEU  QD1    84 GLU  H       4.48            #peak  8018 #SUP  0.88  #QF  0.88
 83 ARG  QD     84 GLU  H       5.26            #peak  8023 #SUP  0.78  #QF  0.78
 83 ARG  HG3    84 GLU  H       4.50            #peak  8025 #SUP  0.87  #QF  0.87
 83 ARG  HG2    84 GLU  H       4.50            #peak  8027 #SUP  0.65  #QF  0.65
 84 GLU  H      85 VAL  QG1     5.23            #peak  8029 #SUP  0.95  #QF  0.95
 24 VAL  HA     25 GLU  H       3.33            #peak  8051 #SUP  0.72  #QF  0.72
 23 LEU  HG     25 GLU  H       5.28            #peak  8054 #SUP  0.94  #QF  0.94
 24 VAL  HB     25 GLU  H       4.58            #peak  8058 #SUP  0.99  #QF  0.99
 25 GLU  H      77 VAL  H       5.43            #peak  8067 #SUP  0.94  #QF  0.94
 78 PHE  H      79 LEU  H       5.45            #peak 10882 #SUP  0.90  #QF  0.90
 27 GLY  H      56 VAL  HB      5.13            #peak 10889 #SUP  0.98  #QF  0.98
 64 LEU  QD2    65 GLY  H       5.24            #peak 10914 #SUP  0.94  #QF  0.94
 64 LEU  QD1    65 GLY  H       5.24            #peak 10915 #SUP  0.94  #QF  0.94
 64 LEU  HG     65 GLY  H       5.21            #peak 10920 #SUP  0.99  #QF  0.98
 39 PRO  HB2    40 LEU  H       4.55            #peak 10944 #SUP  0.74  #QF  0.74
 28 THR  QG2    29 ASP  H       3.85            #peak 10968 #SUP  0.57  #QF  0.57
 29 ASP  H      30 TRP  HD1     5.45            #peak 10973 #SUP  0.88  #QF  0.88
 28 THR  HA     29 ASP  H       3.46            #peak 10974 #SUP  0.73  #QF  0.73
 41 LEU  QD2    42 ALA  H       4.74            #peak 11000 #SUP  0.72  #QF  0.72
103 SER  HB2   104 LEU  H       4.14            #peak 11020 #SUP  0.72  #QF  0.72
 36 ALA  H      39 PRO  QD      5.28            #peak 11032 #SUP  0.57  #QF  0.47
 39 PRO  QD     41 LEU  H       5.50            #peak 11032 #SUP  0.57  #QF  0.47
 68 PHE  HB2    70 VAL  H       5.50            #peak 11861 #SUP  0.89  #QF  0.35
 13 ASP  HA     15 LEU  H       5.03            #peak 11864 #SUP  0.94  #QF  0.94
 50 GLU  QB     51 VAL  H       4.10            #peak 11885 #SUP  0.67  #QF  0.67
 40 LEU  QD1    94 ALA  H       5.13            #peak 11905 #SUP  0.78  #QF  0.78
 40 LEU  QD2    94 ALA  H       4.25            #peak 11910 #SUP  0.87  #QF  0.87
  8 GLU  HA      9 ALA  H       2.93            #peak 11986 #SUP  0.81  #QF  0.81
  9 ALA  H      56 VAL  QG2     5.20            #peak 11987 #SUP  0.93  #QF  0.93
  8 GLU  QB      9 ALA  H       4.03            #peak 11990 #SUP  0.82  #QF  0.82
  6 SER  QB      7 ALA  H       5.27            #peak 12017 #SUP  1.00
105 VAL  H     106 GLY  QA      4.43            #peak 12937 #SUP  0.73  #QF  0.73
 19 ALA  QB     82 GLY  H       4.53            #peak 12940 #SUP  0.98  #QF  0.24
104 LEU  HB3   105 VAL  H       4.81            #peak 12940 #SUP  0.98  #QF  0.24
 85 VAL  H      86 ALA  QB      4.80            #peak 14848 #SUP  0.99  #QF  0.99
 84 GLU  HB3    85 VAL  H       4.52            #peak 14852 #SUP  0.74  #QF  0.74
 76 PHE  H      90 ARG  H       5.50            #peak 14881 #SUP  0.77  #QF  0.77
 13 ASP  HA     16 ASP  H       3.92            #peak 14898 #SUP  0.97  #QF  0.97
102 GLU  H     105 VAL  QG1     4.41            #peak 14901 #SUP  0.95  #QF  0.95
100 ALA  QB    102 GLU  H       4.83            #peak 14902 #SUP  0.91  #QF  0.91
102 GLU  H     103 SER  HA      5.32            #peak 14908 #SUP  0.85  #QF  0.85
 99 GLU  HB3   101 PHE  H       5.50            #peak 14925 #SUP  0.96  #QF  0.93
102 GLU  HB2   106 GLY  H       5.50            #peak 14925 #SUP  0.96  #QF  0.93
 30 TRP  H      31 CYS  H       3.12            #peak 14954 #SUP  0.96  #QF  0.94
 28 THR  QG2    31 CYS  H       4.78            #peak 14956 #SUP  0.69  #QF  0.69
 83 ARG  H      85 VAL  QG1     4.90            #peak 14967 #SUP  0.91  #QF  0.91
 79 LEU  HA     83 ARG  H       4.93            #peak 14974 #SUP  0.93  #QF  0.93
102 GLU  HA    103 SER  H       3.53            #peak 15077 #SUP  0.96  #QF  0.96
103 SER  H     104 LEU  QD2     5.46            #peak 15081 #SUP  0.73  #QF  0.73
101 PHE  HA    103 SER  H       5.20            #peak 15090 #SUP  0.98  #QF  0.98
100 ALA  QB    103 SER  H       4.55            #peak 15094 #SUP  0.91  #QF  0.91
103 SER  H     105 VAL  H       4.54            #peak 15095 #SUP  0.93  #QF  0.93
102 GLU  H     103 SER  H       3.24            #peak 15096 #SUP  0.99  #QF  0.99
 58 ASP  H      73 TRP  HE1     5.37            #peak 15097 #SUP  0.83  #QF  0.74
 59 GLY  H      73 TRP  HE1     5.50            #peak 15097 #SUP  0.83  #QF  0.74
 30 TRP  H      30 TRP  HE1     4.61            #peak 15114 #SUP  1.00
 58 ASP  HA     73 TRP  HE1     5.50            #peak 15115 #SUP  0.62  #QF  0.30
 58 ASP  HB3    73 TRP  HE1     3.83            #peak 15123 #SUP  0.61  #QF  0.61
 22 THR  H      81 ASP  H       5.50            #peak 15134 #SUP  0.95  #QF  0.74
 78 PHE  H      85 VAL  H       5.29            #peak 15139 #SUP  0.61  #QF  0.61
 94 ALA  H      95 SER  H       5.44            #peak 15142 #SUP  0.71  #QF  0.71
 25 GLU  H      56 VAL  H       4.73            #peak 15152 #SUP  0.96  #QF  0.96
 20 GLY  H      81 ASP  H       4.86            #peak 15153 #SUP  0.91  #QF  0.85
 80 ARG  H      81 ASP  H       4.82            #peak 15154 #SUP  0.36  #QF  0.36
103 SER  H     104 LEU  H       2.87            #peak 15176 #SUP  0.71  #QF  0.71
 45 PHE  QE     51 VAL  H       4.43            #peak 15177 #SUP  0.74  #QF  0.74
 36 ALA  H      38 GLN  H       3.82            #peak 15178 #SUP  0.48  #QF  0.48
 18 LEU  H      19 ALA  H       4.73            #peak 15180 #SUP  0.67  #QF  0.67
 28 THR  QG2    30 TRP  HD1     4.80            #peak 15187 #SUP  0.65  #QF  0.65
 73 TRP  HE3    74 PRO  HD3     4.21            #peak 15199 #SUP  0.61  #QF  0.43
 30 TRP  HA     35 GLN  HE21    3.53            #peak 15200 #SUP  0.93  #QF  0.93
 68 PHE  HA     69 GLN  HE21    3.19            #peak 15201 #SUP  0.95  #QF  0.95
 12 ARG  H      64 LEU  QD1     5.50            #peak 15203 #SUP  0.96  #QF  0.83
 87 ARG  H     100 ALA  QB      5.19            #peak 15205 #SUP  0.75  #QF  0.75
 18 LEU  QD2    82 GLY  H       4.95            #peak 15212 #SUP  0.63  #QF  0.63
104 LEU  HB3   106 GLY  H       5.50            #peak 15216 #SUP  0.64  #QF  0.64
 39 PRO  HA     41 LEU  H       5.03            #peak 15224 #SUP  0.46  #QF  0.46
 58 ASP  H      73 TRP  HH2     5.42            #peak 15225 #SUP  0.73  #QF  0.73
 26 PHE  QB     75 THR  H       5.35            #peak 15238 #SUP  0.74  #QF  0.74
 74 PRO  HB3    75 THR  H       4.61            #peak 15246 #SUP  0.75  #QF  0.75
  9 ALA  H      56 VAL  QG1     5.20            #peak 15248 #SUP  0.64  #QF  0.24
 72 LEU  QD2    73 TRP  H       4.64            #peak 15250 #SUP  0.96  #QF  0.76
 28 THR  QG2    58 ASP  H       3.79            #peak 15252 #SUP  0.76  #QF  0.76
 19 ALA  H      20 GLY  H       4.88            #peak 15253 #SUP  0.84  #QF  0.84
 13 ASP  H      16 ASP  QB      5.43            #peak 15270 #SUP  0.67  #QF  0.67
 95 SER  H      96 VAL  HB      5.50            #peak 15273 #SUP  1.00  #QF  0.88
 95 SER  H      97 LEU  HB2     5.50            #peak 15273 #SUP  1.00  #QF  0.88
 95 SER  H      98 GLU  QB      5.50            #peak 15273 #SUP  1.00  #QF  0.88
 94 ALA  QB     95 SER  H       3.86            #peak 15278 #SUP  0.68  #QF  0.68
 54 LEU  HB3    55 LYS  H       4.65            #peak 15279 #SUP  0.54  #QF  0.54
105 VAL  QG2   107 GLU  H       5.38            #peak 15281 #SUP  0.99  #QF  0.99
 18 LEU  QD2    19 ALA  H       4.90            #peak 15285 #SUP  0.93  #QF  0.93
 54 LEU  QD1    55 LYS  H       5.27            #peak 15288 #SUP  0.88  #QF  0.88
 18 LEU  QB     19 ALA  H       4.42            #peak 15294 #SUP  0.90  #QF  0.90
 18 LEU  HG     19 ALA  H       4.70            #peak 15295 #SUP  0.77  #QF  0.77
 89 VAL  HB     90 ARG  H       4.83            #peak 15299 #SUP  0.95  #QF  0.63
 35 GLN  H      36 ALA  HA      5.50            #peak 15303 #SUP  1.00
 55 LYS  HG2    56 VAL  H       5.50            #peak 15312 #SUP  0.89  #QF  0.85
 70 VAL  QG2    71 LYS  H       4.64            #peak 15316 #SUP  0.91  #QF  0.91
 71 LYS  H      89 VAL  QG2     4.88            #peak 15317 #SUP  0.37  #QF  0.37
 44 VAL  QG1    45 PHE  H       4.40            #peak 15318 #SUP  0.91  #QF  0.91
 71 LYS  H      89 VAL  QG1     4.88            #peak 15319 #SUP  0.38  #QF  0.38
 71 LYS  H      75 THR  QG2     4.56            #peak 15320 #SUP  0.75  #QF  0.55
  9 ALA  QB     56 VAL  H       5.15            #peak 15321 #SUP  0.71  #QF  0.71
 70 VAL  HB     71 LYS  H       4.36            #peak 15322 #SUP  0.85  #QF  0.85
  5 TYR  HA     56 VAL  H       5.50            #peak 15328 #SUP  0.65  #QF  0.65
 20 GLY  H      80 ARG  HA      5.13            #peak 15333 #SUP  0.66  #QF  0.25
 20 GLY  H      81 ASP  HA      5.50            #peak 15333 #SUP  0.66  #QF  0.25
 23 LEU  HA     53 HIS  HD2     4.59            #peak 15352 #SUP  0.65  #QF  0.65
 11 ALA  QB     15 LEU  H       4.89            #peak 15358 #SUP  0.89  #QF  0.89
 79 LEU  HG     83 ARG  H       5.50            #peak 15360 #SUP  0.45  #QF  0.45
 51 VAL  H      52 GLY  H       4.76            #peak 15364 #SUP  0.47  #QF  0.47
 24 VAL  QG2    68 PHE  QE      4.99            #peak 15383 #SUP  0.55  #QF  0.55
 15 LEU  QD2    68 PHE  QE      3.71            #peak 15389 #SUP  0.43  #QF  0.43
 78 PHE  HD1    85 VAL  QG2     4.65            #peak 15391 #SUP  0.28  #QF  0.28
 41 LEU  HG     53 HIS  HE1     4.43            #peak 15398 #SUP  0.59  #QF  0.59
 76 PHE  QD     88 VAL  HB      4.26            #peak 15432 #SUP  1.00
 28 THR  HB     30 TRP  H       3.82            #peak 15440 #SUP  0.97  #QF  0.97
 44 VAL  QG2    45 PHE  QD      5.06            #peak 15452 #SUP  0.87  #QF  0.73
 44 VAL  QG1    46 SER  H       4.83            #peak 15453 #SUP  0.85  #QF  0.25
 64 LEU  QD1    68 PHE  QD      4.59            #peak 15453 #SUP  0.85  #QF  0.25
 44 VAL  QG1    45 PHE  QD      5.06            #peak 15455 #SUP  0.85  #QF  0.62
 41 LEU  HB2    45 PHE  QD      5.17            #peak 15460 #SUP  0.65  #QF  0.65
 45 PHE  QD     51 VAL  HB      4.76            #peak 15462 #SUP  0.88  #QF  0.88
 35 GLN  HA     37 ALA  H       5.18            #peak 15464 #SUP  0.89  #QF  0.34
 91 PRO  HA     93 SER  H       4.32            #peak 15469 #SUP  0.71  #QF  0.71
 41 LEU  HA     44 VAL  H       4.20            #peak 15472 #SUP  0.83  #QF  0.83
 45 PHE  H     101 PHE  QD      5.46            #peak 15498 #SUP  0.64  #QF  0.64
 80 ARG  QD     81 ASP  H       4.97            #peak 15508 #SUP  0.94  #QF  0.94
 78 PHE  HB3    85 VAL  H       5.28            #peak 15512 #SUP  0.65  #QF  0.65
  5 TYR  H      55 LYS  HB2     5.50            #peak 15514 #SUP  0.40  #QF  0.40
 78 PHE  H     104 LEU  QD2     5.50            #peak 15519 #SUP  0.77  #QF  0.77
 78 PHE  H      85 VAL  QG2     4.12            #peak 15520 #SUP  0.45  #QF  0.45
 22 THR  QG2    53 HIS  H       5.50            #peak 15521 #SUP  0.95  #QF  0.86
 22 THR  QG2    54 LEU  H       5.50            #peak 15521 #SUP  0.95  #QF  0.86
 77 VAL  HB     78 PHE  H       4.53            #peak 15523 #SUP  0.91  #QF  0.51
 78 PHE  H      84 GLU  HB2     5.50            #peak 15524 #SUP  0.35  #QF  0.35
 78 PHE  H      87 ARG  HB3     3.81            #peak 15526 #SUP  0.84  #QF  0.84
 78 PHE  H      87 ARG  HA      4.16            #peak 15532 #SUP  0.99  #QF  0.99
 71 LYS  H      71 LYS  QE      4.47            #peak 15541 #SUP  0.27  #QF  0.27
 29 ASP  H      57 GLU  HG3     5.31            #peak 15552 #SUP  0.82  #QF  0.22
  5 TYR  HB3    29 ASP  H       5.38            #peak 15553 #SUP  0.71  #QF  0.71
 35 GLN  HG2    35 GLN  HE22    3.78            #peak 15557 #SUP  0.47  #QF  0.47
100 ALA  QB    101 PHE  QD      4.52            #peak 15565 #SUP  0.72  #QF  0.72
 76 PHE  QE    100 ALA  QB      4.76            #peak 15573 #SUP  0.77  #QF  0.77
 44 VAL  QG2   101 PHE  QD      4.14            #peak 15583 #SUP  0.37  #QF  0.37
 40 LEU  HB3    76 PHE  QE      5.45            #peak 15597 #SUP  0.85  #QF  0.85
101 PHE  QD    105 VAL  QG2     4.65            #peak 15601 #SUP  0.35  #QF  0.35
100 ALA  H     101 PHE  HB2     4.50            #peak 15604 #SUP  0.72  #QF  0.72
 39 PRO  HB3    40 LEU  H       4.55            #peak 15607 #SUP  0.77  #QF  0.77
 39 PRO  QG     40 LEU  H       3.79            #peak 15608 #SUP  0.89  #QF  0.89
 47 ASP  HB3    48 TYR  QE      4.38            #peak 15614 #SUP  0.71  #QF  0.71
 30 TRP  HB3    31 CYS  H       5.07            #peak 15621 #SUP  0.72  #QF  0.72
 96 VAL  HA    100 ALA  H       4.49            #peak 15628 #SUP  0.44  #QF  0.44
 76 PHE  QE    101 PHE  QD      4.41            #peak 15641 #SUP  0.28  #QF  0.28
 76 PHE  QE    101 PHE  QE      3.81            #peak 15648 #SUP  0.36  #QF  0.36
 30 TRP  HD1    31 CYS  H       5.21            #peak 15651 #SUP  0.74  #QF  0.74
 33 HIS  H      36 ALA  QB      5.28            #peak 15659 #SUP  0.77  #QF  0.77
 34 CYS  H      35 GLN  HG2     5.01            #peak 15667 #SUP  0.40  #QF  0.40
 34 CYS  H      35 GLN  QB      5.41            #peak 15668 #SUP  0.86  #QF  0.60
 94 ALA  H      97 LEU  HB2     5.50            #peak 15668 #SUP  0.86  #QF  0.60
 34 CYS  H      74 PRO  QG      5.50            #peak 15669 #SUP  0.24  #QF  0.24
 85 VAL  QG2    86 ALA  H       3.75            #peak 15680 #SUP  0.86  #QF  0.86
 40 LEU  QD2    41 LEU  H       4.90            #peak 15681 #SUP  0.99  #QF  0.99
 40 LEU  HB3    41 LEU  H       3.87            #peak 15682 #SUP  0.97  #QF  0.96
 41 LEU  H      42 ALA  QB      4.31            #peak 15683 #SUP  0.97  #QF  0.97
 35 GLN  QB     36 ALA  H       3.84            #peak 15690 #SUP  0.97  #QF  0.97
 85 VAL  HB     86 ALA  H       3.96            #peak 15691 #SUP  0.87  #QF  0.87
 78 PHE  HB3    86 ALA  H       4.38            #peak 15693 #SUP  0.87  #QF  0.87
 38 GLN  HA     41 LEU  H       4.55            #peak 15695 #SUP  0.55  #QF  0.38
 84 GLU  HA     86 ALA  H       4.10            #peak 15697 #SUP  0.90  #QF  0.80
 38 GLN  H      39 PRO  QD      3.87            #peak 15708 #SUP  0.90  #QF  0.90
 40 LEU  H      41 LEU  HA      5.49            #peak 15717 #SUP  0.56  #QF  0.56
 88 VAL  QG1    90 ARG  H       4.83            #peak 15721 #SUP  0.64  #QF  0.64
 40 LEU  HB3    42 ALA  H       5.50            #peak 15722 #SUP  0.89  #QF  0.74
 40 LEU  QD2    93 SER  H       4.13            #peak 15729 #SUP  0.85  #QF  0.85
 93 SER  H      96 VAL  HB      3.63            #peak 15734 #SUP  0.88  #QF  0.88
 47 ASP  HB2    48 TYR  H       4.17            #peak 15757 #SUP  0.96  #QF  0.96
 47 ASP  HB3    48 TYR  H       4.17            #peak 15758 #SUP  0.48  #QF  0.48
 67 SER  QB     68 PHE  H       4.98            #peak 15771 #SUP  0.98  #QF  0.80
 70 VAL  H      75 THR  QG2     5.39            #peak 15773 #SUP  0.87  #QF  0.87
 14 GLU  HB2    15 LEU  H       4.20            #peak 15775 #SUP  0.57  #QF  0.26
 70 VAL  QG1    71 LYS  H       4.64            #peak 15777 #SUP  0.37  #QF  0.37
 73 TRP  HA     75 THR  H       4.84            #peak 15780 #SUP  0.36  #QF  0.36
 24 VAL  QG1    77 VAL  H       4.61            #peak 15782 #SUP  0.47  #QF  0.47
 23 LEU  HG     77 VAL  H       5.50            #peak 15783 #SUP  0.95  #QF  0.82
 79 LEU  H      85 VAL  QG1     5.50            #peak 15789 #SUP  0.33  #QF  0.33
105 VAL  QG1   108 GLY  H       4.97            #peak 15792 #SUP  0.97  #QF  0.85
107 GLU  HA    108 GLY  H       3.47            #peak 15794 #SUP  0.98  #QF  0.98
 30 TRP  HZ2    73 TRP  HZ2     5.33            #peak 15806 #SUP  0.61  #QF  0.61
 88 VAL  QG2   101 PHE  H       4.89            #peak 15810 #SUP  0.99  #QF  0.91
 30 TRP  HA     30 TRP  HD1     5.47            #peak 15828 #SUP  1.00
 17 ARG  HA     18 LEU  H       3.52            #peak 15830 #SUP  0.38  #QF  0.38
 33 HIS  H      33 HIS  HD2     4.37            #peak 15849 #SUP  0.77  #QF  0.77
 17 ARG  H      18 LEU  H       2.74            #peak 15866 #SUP  0.35  #QF  0.35
 48 TYR  HA     48 TYR  QD      4.21            #peak 15882 #SUP  0.48  #QF  0.48
 25 GLU  HA     76 PHE  QD      4.13            #peak 15886 #SUP  0.86  #QF  0.82
 98 GLU  HA    101 PHE  QD      4.09            #peak 15888 #SUP  0.52  #QF  0.52
 73 TRP  HB3    73 TRP  HZ3     5.50            #peak 15892 #SUP  0.64  #QF  0.64
 76 PHE  HB2    78 PHE  HD2     4.93            #peak 15897 #SUP  0.69  #QF  0.69
 48 TYR  HB2   101 PHE  QD      3.95            #peak 15905 #SUP  0.30  #QF  0.30
  5 TYR  QD     56 VAL  HB      4.95            #peak 15908 #SUP  0.58  #QF  0.58
  5 TYR  QE     26 PHE  HA      5.50            #peak 15914 #SUP  0.93  #QF  0.93
 26 PHE  HZ     68 PHE  HA      5.50            #peak 15915 #SUP  0.69  #QF  0.49
  5 TYR  QE     56 VAL  HA      5.48            #peak 15918 #SUP  0.72  #QF  0.72
  5 TYR  QE     25 GLU  HG2     4.98            #peak 15923 #SUP  0.85  #QF  0.72
  5 TYR  QE     25 GLU  HG3     4.98            #peak 15924 #SUP  0.45  #QF  0.45
 53 HIS  HA     54 LEU  HB2     5.33            #peak 15944 #SUP  0.40  #QF  0.40
  5 TYR  HA     55 LYS  HD2     5.20            #peak 16042 #SUP  0.42  #QF  0.42
  5 TYR  HA     55 LYS  HD3     5.20            #peak 16046 #SUP  0.95  #QF  0.95
  4 ARG  H       4 ARG  QB      3.46            #peak   573
  4 ARG  H       4 ARG  QG      3.60            #peak   575
  4 ARG  QB      4 ARG  QD      3.13            #peak  2150
  4 ARG  QB      4 ARG  HE      3.08            #peak   523
  4 ARG  QB      5 TYR  H       3.58            #peak    30
  4 ARG  QG      4 ARG  HE      3.42            #peak   524
  4 ARG  QG      5 TYR  H       4.43            #peak   930
  5 TYR  H      55 LYS  QG      5.19            #peak   929
  5 TYR  HA     55 LYS  QB      3.32            #peak   198
  5 TYR  HA     55 LYS  QG      4.01            #peak  9281
  5 TYR  HA     55 LYS  QD      4.58            #peak 16042
  5 TYR  HB2    55 LYS  QG      5.34            #peak   363
  5 TYR  HB3    55 LYS  QG      5.34            #peak    96
  5 TYR  QD     29 ASP  QB      5.13            #peak 15895
  5 TYR  QD     55 LYS  QG      4.04            #peak   502
  5 TYR  QD     56 VAL  QQG     4.78            #peak  3279
  5 TYR  QE     25 GLU  QB      4.18            #peak    55
  5 TYR  QE     25 GLU  QG      4.39            #peak 15923
  5 TYR  QE     27 GLY  QA      4.21            #peak    52
  5 TYR  QE     29 ASP  QB      4.89            #peak    53
  5 TYR  QE     55 LYS  QG      4.06            #peak    64
  5 TYR  QE     55 LYS  QD      4.97            #peak    63
  6 SER  H      55 LYS  QB      3.26            #peak  1039
  6 SER  H      55 LYS  QG      4.79            #peak   129
  6 SER  H      56 VAL  QQG     5.44            #peak  7130
  7 ALA  HA     57 GLU  QB      2.74            #peak   161
  7 ALA  HA     57 GLU  QG      4.51            #peak  5471
  7 ALA  QB     57 GLU  QB      3.59            #peak   712
  8 GLU  H       8 GLU  QG      3.14            #peak  1754
  8 GLU  H      57 GLU  QB      5.34            #peak  1750
  8 GLU  HA      8 GLU  QG      3.47            #peak  2226
  8 GLU  QG      9 ALA  H       4.59            #peak 11985
  9 ALA  H      10 PRO  QD      4.82            #peak  2498
  9 ALA  H      56 VAL  QQG     4.57            #peak 15248
  9 ALA  HA     10 PRO  QD      3.18            #peak 11535
  9 ALA  QB     10 PRO  QD      3.02            #peak   354
  9 ALA  QB     64 LEU  QB      5.33            #peak  9482
  9 ALA  QB     64 LEU  QQD     3.03            #peak   445
 10 PRO  HG2    64 LEU  QQD     3.99            #peak 10686
 10 PRO  HG3    54 LEU  QQD     3.59            #peak   716
 10 PRO  QD     11 ALA  H       4.96            #peak  1324
 10 PRO  QD     54 LEU  QQD     3.18            #peak   192
 10 PRO  QD     56 VAL  QQG     4.01            #peak 12641
 10 PRO  QD     64 LEU  QQD     3.98            #peak   344
 11 ALA  H      14 GLU  QB      3.98            #peak  1321
 11 ALA  H      14 GLU  QG      4.74            #peak 15272
 11 ALA  H      15 LEU  QQD     5.44            #peak 15286
 11 ALA  HA     64 LEU  QQD     4.18            #peak  6009
 11 ALA  QB     14 GLU  QB      3.15            #peak   695
 12 ARG  H      15 LEU  QB      4.89            #peak  7983
 12 ARG  H      15 LEU  QQD     5.22            #peak  2502
 12 ARG  H      64 LEU  QQD     4.07            #peak  7977
 12 ARG  HA     15 LEU  QQD     3.80            #peak   185
 12 ARG  HA     64 LEU  QQD     3.63            #peak  6016
 12 ARG  QB     12 ARG  QD      2.95            #peak   449
 12 ARG  QB     13 ASP  H       3.67            #peak  1644
 12 ARG  QB     64 LEU  QQD     4.17            #peak 10217
 12 ARG  QB     67 SER  QB      5.10            #peak 10199
 12 ARG  QG     12 ARG  QD      2.34            #peak   453
 12 ARG  QG     13 ASP  H       5.06            #peak  1645
 12 ARG  QG     15 LEU  QQD     3.86            #peak   388
 12 ARG  HG3    15 LEU  QD1     6.19            #peak   388
 12 ARG  QG     64 LEU  QQD     3.64            #peak 11671
 12 ARG  QG     67 SER  QB      4.39            #peak  6840
 12 ARG  QD     15 LEU  QQD     5.39            #peak  2409
 12 ARG  QD     64 LEU  QQD     4.39            #peak  2422
 14 GLU  H      14 GLU  QB      3.04            #peak   583
 14 GLU  H      14 GLU  QG      4.29            #peak  2130
 14 GLU  H      15 LEU  QB      4.56            #peak   904
 14 GLU  HA     14 GLU  QG      2.99            #peak   640
 14 GLU  QB     14 GLU  QG      2.36            #peak   656
 14 GLU  QG     15 LEU  H       5.34            #peak 11861
 15 LEU  H      15 LEU  QQD     3.82            #peak  2352
 15 LEU  H      18 LEU  QQD     4.98            #peak  1139
 15 LEU  HA     18 LEU  QQD     2.99            #peak   529
 15 LEU  QB     15 LEU  HG      2.52            #peak  2246
 15 LEU  QB     15 LEU  QQD     2.55            #peak   691
 15 LEU  QB     16 ASP  H       3.71            #peak  2293
 15 LEU  QB     16 ASP  HA      5.20            #peak   494
 15 LEU  QB     79 LEU  QQD     5.28            #peak   399
 15 LEU  HG     18 LEU  QQD     3.39            #peak 12255
 15 LEU  HG     79 LEU  QQD     4.31            #peak 12680
 15 LEU  QQD    16 ASP  H       5.38            #peak  2291
 15 LEU  QQD    64 LEU  QQD     3.44            #peak  6000
 15 LEU  QQD    68 PHE  HZ      5.06            #peak   404
 15 LEU  QQD    79 LEU  QQD     3.35            #peak   435
 16 ASP  H      18 LEU  QQD     5.44            #peak  2291
 17 ARG  H      17 ARG  QG      3.12            #peak   359
 17 ARG  HA     17 ARG  QG      3.07            #peak   643
 17 ARG  HB2    17 ARG  QG      2.62            #peak   174
 18 LEU  H      18 LEU  QQD     3.34            #peak   153
 18 LEU  H      82 GLY  QA      4.33            #peak   135
 18 LEU  HA     18 LEU  QQD     3.34            #peak   523
 18 LEU  QQD    19 ALA  H       3.85            #peak 15285
 18 LEU  QQD    19 ALA  HA      5.36            #peak 12266
 18 LEU  QQD    19 ALA  QB      3.90            #peak  7451
 18 LEU  QQD    20 GLY  H       3.98            #peak   859
 18 LEU  QQD    79 LEU  HB3     3.99            #peak   690
 18 LEU  QQD    80 ARG  H       5.44            #peak 12341
 18 LEU  QQD    81 ASP  H       5.42            #peak 15778
 18 LEU  QQD    82 GLY  H       4.26            #peak 15212
 19 ALA  HA     20 GLY  QA      4.38            #peak  6587
 19 ALA  QB     20 GLY  QA      4.26            #peak 11382
 20 GLY  QA     22 THR  H       5.25            #peak  2031
 20 GLY  QA     80 ARG  HG2     5.30            #peak 12644
 20 GLY  QA     81 ASP  H       4.32            #peak 15330
 21 PRO  HA     80 ARG  QB      4.44            #peak    23
 22 THR  H      51 VAL  QQG     5.05            #peak 15783
 22 THR  H      79 LEU  QQD     5.42            #peak  2025
 22 THR  H      80 ARG  QB      5.34            #peak 15489
 22 THR  HA     51 VAL  QQG     3.86            #peak  9164
 22 THR  HB     79 LEU  QQD     5.06            #peak 11909
 22 THR  QG2    23 LEU  QQD     5.22            #peak   402
 23 LEU  H      23 LEU  QQD     4.17            #peak  2673
 23 LEU  H      51 VAL  QQG     3.80            #peak  9170
 23 LEU  H      54 LEU  QB      5.34            #peak   185
 23 LEU  HA     23 LEU  QQD     3.21            #peak  2675
 23 LEU  HB2    23 LEU  QQD     3.00            #peak   741
 23 LEU  HB2    51 VAL  QQG     4.20            #peak   730
 23 LEU  HB3    51 VAL  QQG     3.74            #peak  9190
 23 LEU  HG     41 LEU  QQD     4.66            #peak  7489
 23 LEU  QQD    24 VAL  H       3.25            #peak   543
 23 LEU  QQD    24 VAL  HA      4.45            #peak   472
 23 LEU  QQD    24 VAL  QQG     4.21            #peak   403
 23 LEU  QQD    25 GLU  H       4.96            #peak  2477
 23 LEU  QQD    25 GLU  HA      4.68            #peak 10620
 23 LEU  QQD    25 GLU  QB      4.41            #peak   423
 23 LEU  QQD    41 LEU  HA      5.44            #peak   128
 23 LEU  QQD    41 LEU  HG      4.40            #peak  4466
 23 LEU  QQD    41 LEU  QQD     2.98            #peak 11955
 23 LEU  QQD    45 PHE  QD      3.94            #peak   531
 23 LEU  QQD    45 PHE  QE      2.92            #peak   499
 23 LEU  QQD    51 VAL  QQG     4.61            #peak  9174
 23 LEU  QQD    53 HIS  HA      4.08            #peak    15
 23 LEU  QQD    53 HIS  HD2     2.97            #peak   631
 23 LEU  QQD    53 HIS  HE1     3.98            #peak   452
 23 LEU  QQD    76 PHE  H       4.66            #peak   510
 23 LEU  QQD    76 PHE  HB2     3.41            #peak 10626
 23 LEU  QQD    76 PHE  HB3     3.85            #peak 10606
 23 LEU  QQD    76 PHE  QD      3.38            #peak   565
 23 LEU  QQD    76 PHE  QE      3.82            #peak   910
 23 LEU  QQD    76 PHE  HZ      5.44            #peak 15571
 23 LEU  QQD    77 VAL  H       3.48            #peak  2069
 23 LEU  QQD    77 VAL  HB      5.11            #peak   361
 23 LEU  QQD    78 PHE  H       4.70            #peak   611
 23 LEU  QQD    78 PHE  HA      3.52            #peak  2675
 23 LEU  QQD    78 PHE  HB2     5.44            #peak    85
 23 LEU  QQD    78 PHE  HB3     5.44            #peak    87
 23 LEU  QQD    78 PHE  QE      3.01            #peak   830
 23 LEU  QQD    78 PHE  HD1     3.48            #peak  1018
 23 LEU  QQD    78 PHE  HZ      4.45            #peak   935
 23 LEU  QQD    78 PHE  HD2     3.16            #peak   978
 23 LEU  QQD    79 LEU  H       4.73            #peak 15787
 23 LEU  QQD    79 LEU  HB2     5.44            #peak   400
 23 LEU  QQD    86 ALA  QB      5.44            #peak   400
 23 LEU  QQD    88 VAL  H       4.78            #peak  8010
 23 LEU  QQD    88 VAL  HB      4.33            #peak   360
 23 LEU  QQD    88 VAL  QG2     4.40            #peak   401
 23 LEU  QQD    97 LEU  QQD     4.36            #peak   446
 23 LEU  QQD   100 ALA  QB      5.35            #peak   448
 23 LEU  QQD   101 PHE  HA      5.44            #peak    82
 23 LEU  QQD   101 PHE  QD      4.06            #peak   695
 23 LEU  QQD   101 PHE  QE      3.35            #peak   323
 23 LEU  QQD   101 PHE  HZ      3.11            #peak  1063
 23 LEU  QQD   104 LEU  HG      5.44            #peak   662
 24 VAL  H      54 LEU  QB      5.14            #peak 15515
 24 VAL  H      77 VAL  QQG     4.61            #peak   540
 24 VAL  HA     24 VAL  QQG     2.98            #peak   388
 24 VAL  HA     54 LEU  QB      4.07            #peak 10373
 24 VAL  HA     64 LEU  QQD     5.44            #peak 10693
 24 VAL  HB     64 LEU  QQD     4.43            #peak   395
 24 VAL  QQG    25 GLU  H       3.71            #peak  2480
 24 VAL  QQG    26 PHE  H       4.80            #peak 15313
 24 VAL  QQG    26 PHE  QE      3.17            #peak   561
 24 VAL  QQG    26 PHE  HZ      5.34            #peak    62
 24 VAL  QQG    54 LEU  QB      4.04            #peak  5838
 24 VAL  QQG    54 LEU  HG      5.07            #peak  2656
 24 VAL  QQG    56 VAL  H       5.07            #peak 15312
 24 VAL  QQG    56 VAL  QQG     3.60            #peak  3886
 24 VAL  QQG    68 PHE  QE      3.90            #peak   763
 24 VAL  QQG    79 LEU  H       4.51            #peak    52
 25 GLU  H      25 GLU  QG      4.13            #peak   307
 25 GLU  H      54 LEU  QB      3.66            #peak  2482
 25 GLU  H      54 LEU  QQD     5.44            #peak  8069
 25 GLU  H      56 VAL  QQG     4.49            #peak  8061
 25 GLU  QB     26 PHE  H       4.02            #peak   497
 25 GLU  QB     26 PHE  HA      5.19            #peak    48
 25 GLU  QB     53 HIS  HD2     3.89            #peak   623
 25 GLU  QB     53 HIS  HE1     3.62            #peak   446
 25 GLU  QB     55 LYS  HA      4.71            #peak  1113
 25 GLU  QB     55 LYS  QB      5.18            #peak   703
 25 GLU  QB     55 LYS  QG      4.90            #peak   366
 25 GLU  QB     55 LYS  QD      5.18            #peak   676
 25 GLU  QB     56 VAL  H       4.16            #peak   673
 25 GLU  QB     76 PHE  QD      3.95            #peak   370
 25 GLU  QG     26 PHE  H       3.94            #peak   498
 25 GLU  QG     26 PHE  HA      5.26            #peak    49
 25 GLU  QG     53 HIS  HE1     3.86            #peak   448
 25 GLU  QG     55 LYS  HA      3.90            #peak  4337
 26 PHE  H      70 VAL  QQG     5.44            #peak   492
 26 PHE  HA     56 VAL  QQG     3.68            #peak    52
 26 PHE  QB     56 VAL  QQG     4.65            #peak 11319
 26 PHE  QB     70 VAL  QQG     3.95            #peak   334
 26 PHE  QD     56 VAL  QQG     3.06            #peak   405
 26 PHE  QD     64 LEU  QQD     3.63            #peak   807
 26 PHE  QD     70 VAL  QQG     3.00            #peak   409
 26 PHE  QD     77 VAL  QQG     4.05            #peak 15395
 26 PHE  QE     56 VAL  QQG     3.51            #peak   373
 26 PHE  QE     64 LEU  QB      4.36            #peak 15610
 26 PHE  QE     64 LEU  QQD     2.68            #peak   558
 26 PHE  QE     70 VAL  QQG     3.30            #peak   377
 26 PHE  QE     77 VAL  QQG     3.35            #peak   374
 27 GLY  H      56 VAL  QQG     4.25            #peak  1882
 27 GLY  QA     28 THR  H       3.02            #peak  1368
 27 GLY  QA     28 THR  QG2     4.55            #peak    99
 27 GLY  QA     73 TRP  HE3     4.81            #peak   269
 27 GLY  QA     73 TRP  HZ3     3.74            #peak   776
 27 GLY  QA     73 TRP  HZ2     5.32            #peak   388
 27 GLY  QA     74 PRO  HA      4.40            #peak    38
 28 THR  H      31 CYS  QB      3.44            #peak  1363
 28 THR  QG2    31 CYS  QB      4.19            #peak    98
 28 THR  QG2    57 GLU  QB      4.55            #peak   371
 28 THR  QG2    57 GLU  QG      4.13            #peak   365
 28 THR  QG2    58 ASP  QB      5.23            #peak   100
 29 ASP  H      57 GLU  QG      4.57            #peak  2853
 29 ASP  HA     35 GLN  QE2     3.53            #peak   257
 29 ASP  QB     30 TRP  H       4.14            #peak   421
 30 TRP  H      35 GLN  QE2     3.91            #peak   194
 30 TRP  HB2    35 GLN  QE2     4.75            #peak    76
 30 TRP  HB3    35 GLN  QE2     4.46            #peak 15196
 30 TRP  HE3    31 CYS  QB      5.34            #peak   706
 30 TRP  HH2    31 CYS  QB      5.34            #peak  1510
 31 CYS  H      35 GLN  QE2     3.90            #peak 14962
 31 CYS  QB     33 HIS  H       5.04            #peak   150
 31 CYS  QB     34 CYS  H       5.20            #peak 15670
 31 CYS  QB     73 TRP  HE3     4.20            #peak   262
 31 CYS  QB     73 TRP  HH2     4.05            #peak   801
 33 HIS  H      33 HIS  QB      3.43            #peak   611
 33 HIS  QB     33 HIS  HE1     4.58            #peak   340
 33 HIS  QB     34 CYS  H       3.79            #peak  2523
 33 HIS  QB     74 PRO  HA      5.34            #peak    36
 33 HIS  QB     74 PRO  HB3     4.70            #peak   199
 33 HIS  QB     74 PRO  QG      4.64            #peak 10039
 33 HIS  QB     74 PRO  HD3     3.51            #peak   251
 33 HIS  HE1    72 LEU  QQD     5.25            #peak   351
 34 CYS  HB2    35 GLN  QE2     5.34            #peak 10843
 35 GLN  H      35 GLN  QE2     4.27            #peak   463
 35 GLN  HA     35 GLN  QE2     4.31            #peak  1188
 35 GLN  HA     38 GLN  QB      4.40            #peak   457
 35 GLN  HA     38 GLN  QG      4.73            #peak   454
 35 GLN  QB     35 GLN  QE2     4.25            #peak    75
 35 GLN  HG2    35 GLN  QE2     3.30            #peak  1682
 35 GLN  HG3    35 GLN  QE2     3.36            #peak  1685
 36 ALA  H      38 GLN  QG      5.34            #peak  5767
 37 ALA  H      38 GLN  QB      4.38            #peak  2531
 37 ALA  H      38 GLN  QG      4.86            #peak  2268
 37 ALA  HA     97 LEU  QQD     4.72            #peak 11171
 37 ALA  QB     97 LEU  QQD     4.06            #peak  4579
 38 GLN  H      38 GLN  QG      3.40            #peak   623
 38 GLN  HA     38 GLN  QG      3.40            #peak   353
 38 GLN  QB     39 PRO  QD      4.06            #peak   735
 38 GLN  QG     39 PRO  QD      4.56            #peak   253
 39 PRO  QB     40 LEU  H       3.89            #peak 15607
 39 PRO  QB     42 ALA  QB      4.47            #peak  6659
 40 LEU  H      41 LEU  QQD     4.22            #peak 12688
 40 LEU  H      97 LEU  QQD     5.19            #peak  2318
 40 LEU  HA     97 LEU  QQD     4.33            #peak   144
 40 LEU  HB2    44 VAL  QQG     5.44            #peak  7535
 40 LEU  HB2    97 LEU  QQD     4.19            #peak 12084
 40 LEU  HB3    41 LEU  QQD     3.78            #peak 12679
 40 LEU  HB3    91 PRO  QG      4.76            #peak  7246
 40 LEU  HB3    97 LEU  QQD     3.82            #peak  7280
 40 LEU  HG     91 PRO  QG      4.52            #peak  1133
 40 LEU  HG     91 PRO  QD      5.31            #peak 12219
 40 LEU  HG     97 LEU  QQD     3.08            #peak   678
 40 LEU  QD1    44 VAL  QQG     4.09            #peak  1666
 40 LEU  QD1    97 LEU  QQD     3.13            #peak  9008
 40 LEU  QD2    93 SER  QB      4.81            #peak 12807
 41 LEU  H      41 LEU  QQD     3.47            #peak   214
 41 LEU  H      97 LEU  QQD     3.80            #peak   334
 41 LEU  HA     41 LEU  QQD     2.96            #peak   518
 41 LEU  HA     44 VAL  QQG     3.75            #peak  2837
 41 LEU  HA     97 LEU  QQD     3.41            #peak  4564
 41 LEU  HB2    44 VAL  QQG     5.10            #peak  7202
 41 LEU  HB3    41 LEU  QQD     3.08            #peak  1662
 41 LEU  HB3    97 LEU  QQD     4.89            #peak 11983
 41 LEU  QQD    42 ALA  H       4.12            #peak   263
 41 LEU  QQD    42 ALA  HA      5.14            #peak 11269
 41 LEU  QQD    44 VAL  H       5.03            #peak  7151
 41 LEU  QQD    44 VAL  QQG     3.35            #peak 11945
 41 LEU  QQD    45 PHE  H       3.97            #peak 15315
 41 LEU  QQD    45 PHE  QB      4.58            #peak   323
 41 LEU  QQD    45 PHE  QD      3.09            #peak   529
 41 LEU  QQD    45 PHE  QE      3.56            #peak   496
 41 LEU  QQD    53 HIS  HD2     5.17            #peak   628
 41 LEU  QQD    53 HIS  HE1     3.79            #peak   450
 41 LEU  QQD    76 PHE  QD      4.74            #peak 15591
 41 LEU  QQD    76 PHE  QE      4.61            #peak   908
 41 LEU  QQD    76 PHE  HZ      5.03            #peak   878
 41 LEU  QQD    78 PHE  QE      4.46            #peak   733
 41 LEU  QQD    97 LEU  HA      5.44            #peak 11969
 41 LEU  QQD    97 LEU  QQD     2.99            #peak 11922
 41 LEU  QQD   101 PHE  QD      4.17            #peak   693
 41 LEU  QQD   101 PHE  QE      3.25            #peak   321
 41 LEU  QQD   101 PHE  HZ      3.28            #peak  1061
 42 ALA  H      44 VAL  QQG     5.44            #peak 15722
 42 ALA  H      97 LEU  QQD     5.44            #peak 15720
 43 GLU  HA     44 VAL  QQG     4.73            #peak  1922
 43 GLU  HB2    44 VAL  QQG     3.64            #peak 11651
 43 GLU  HB3    44 VAL  QQG     4.27            #peak  6838
 44 VAL  H      44 VAL  QQG     2.86            #peak  1344
 44 VAL  H      97 LEU  QQD     5.44            #peak   467
 44 VAL  HB     97 LEU  QQD     4.06            #peak  7313
 44 VAL  QQG    45 PHE  H       3.59            #peak 15318
 44 VAL  QQG    45 PHE  HA      4.08            #peak   532
 44 VAL  QQG    45 PHE  QB      5.26            #peak  5293
 44 VAL  QQG    46 SER  H       4.09            #peak 15453
 44 VAL  QQG    46 SER  QB      5.44            #peak  4843
 44 VAL  QQG    47 ASP  H       4.19            #peak   530
 44 VAL  QQG    48 TYR  H       4.50            #peak  1793
 44 VAL  QQG    48 TYR  QD      3.81            #peak  3061
 44 VAL  QQG    48 TYR  QE      3.34            #peak 15574
 44 VAL  QQG    76 PHE  QE      5.44            #peak   905
 44 VAL  QQG    78 PHE  QE      4.84            #peak   734
 44 VAL  QQG    91 PRO  QB      5.44            #peak  7535
 44 VAL  QQG    94 ALA  H       5.41            #peak 11908
 44 VAL  QQG    94 ALA  HA      3.45            #peak   563
 44 VAL  QQG    94 ALA  QB      3.37            #peak  8336
 44 VAL  QQG    97 LEU  H       4.92            #peak  7540
 44 VAL  QQG    97 LEU  HB2     3.24            #peak  7518
 44 VAL  QQG    97 LEU  HB3     2.97            #peak  7529
 44 VAL  QQG    97 LEU  HG      4.09            #peak 12116
 44 VAL  QQG    97 LEU  QQD     2.79            #peak   723
 44 VAL  QQG    98 GLU  H       3.30            #peak  1153
 44 VAL  QQG    98 GLU  HA      3.31            #peak  5325
 44 VAL  QQG    98 GLU  QB      3.47            #peak  3055
 44 VAL  QQG    98 GLU  HG2     3.50            #peak  3042
 44 VAL  QQG    98 GLU  HG3     3.49            #peak  7523
 44 VAL  QQG    99 GLU  H       4.87            #peak  3312
 44 VAL  QQG   100 ALA  H       5.28            #peak  1182
 44 VAL  QQG   101 PHE  H       3.90            #peak  2382
 44 VAL  QQG   101 PHE  HA      4.58            #peak  9786
 44 VAL  QQG   101 PHE  HB2     4.77            #peak  5263
 44 VAL  QQG   101 PHE  HB3     3.86            #peak  3060
 44 VAL  QQG   101 PHE  QD      3.22            #peak 15583
 44 VAL  QQG   101 PHE  QE      4.21            #peak 15596
 44 VAL  QQG   101 PHE  HZ      4.00            #peak  1062
 44 VAL  QQG   102 GLU  H       4.75            #peak   776
 45 PHE  QD     51 VAL  QQG     5.00            #peak   527
 45 PHE  QE     51 VAL  QQG     3.17            #peak   494
 48 TYR  H      51 VAL  QQG     4.83            #peak  1794
 48 TYR  HB2    51 VAL  QQG     4.30            #peak 10754
 48 TYR  HB3    51 VAL  QQG     3.63            #peak   347
 48 TYR  QD     50 GLU  QG      5.16            #peak  4301
 48 TYR  QD     51 VAL  QQG     3.76            #peak 15603
 49 PRO  HD3    51 VAL  QQG     5.44            #peak 12696
 50 GLU  H      50 GLU  QG      3.25            #peak   636
 50 GLU  H      51 VAL  QQG     3.97            #peak  3391
 50 GLU  HA     50 GLU  QG      3.45            #peak  2181
 50 GLU  QB     51 VAL  QQG     4.92            #peak  6995
 50 GLU  QG     51 VAL  H       3.81            #peak 11879
 50 GLU  QG     51 VAL  HA      4.50            #peak  6325
 50 GLU  QG     51 VAL  HB      4.64            #peak  6531
 50 GLU  QG     51 VAL  QQG     3.44            #peak  1370
 50 GLU  QG    105 VAL  QG2     3.85            #peak 10290
 51 VAL  H      51 VAL  QQG     2.87            #peak   430
 51 VAL  HA     51 VAL  QQG     3.04            #peak   261
 51 VAL  QQG    52 GLY  H       3.81            #peak  2223
 51 VAL  QQG    53 HIS  H       5.04            #peak 15522
 51 VAL  QQG    53 HIS  HA      4.94            #peak    10
 51 VAL  QQG    78 PHE  QE      4.09            #peak   731
 51 VAL  QQG    78 PHE  HD1     3.76            #peak  1012
 51 VAL  QQG   101 PHE  HA      5.16            #peak  9773
 51 VAL  QQG   101 PHE  QD      3.11            #peak   689
 51 VAL  QQG   101 PHE  QE      3.59            #peak  1371
 51 VAL  QQG   101 PHE  HZ      5.40            #peak  1059
 53 HIS  HA     54 LEU  QQD     5.44            #peak    12
 53 HIS  HD2    54 LEU  QB      5.13            #peak   625
 53 HIS  HE1    55 LYS  QD      4.22            #peak   454
 54 LEU  H      54 LEU  QB      3.58            #peak  1454
 54 LEU  H      54 LEU  QQD     4.11            #peak  1178
 54 LEU  HA     54 LEU  QQD     3.00            #peak  1789
 54 LEU  HA     56 VAL  QQG     4.66            #peak  2687
 54 LEU  QB     54 LEU  QQD     2.61            #peak  2288
 54 LEU  QB     55 LYS  H       4.00            #peak   203
 54 LEU  QB     56 VAL  QQG     3.99            #peak 10375
 54 LEU  HG     56 VAL  QQG     4.97            #peak  2666
 54 LEU  QQD    55 LYS  H       4.04            #peak   201
 54 LEU  QQD    56 VAL  QQG     3.83            #peak   433
 55 LYS  H      55 LYS  QB      3.58            #peak   330
 55 LYS  H      55 LYS  QG      4.90            #peak   331
 55 LYS  H      56 VAL  QQG     4.81            #peak  3209
 55 LYS  HA     55 LYS  QG      3.73            #peak   214
 55 LYS  HA     55 LYS  QD      4.08            #peak   220
 55 LYS  HA     56 VAL  QQG     4.25            #peak   122
 55 LYS  QB     55 LYS  QD      3.26            #peak  1096
 55 LYS  QB     55 LYS  HE2     4.00            #peak   211
 55 LYS  QB     55 LYS  HE3     3.81            #peak  1100
 55 LYS  QG     56 VAL  H       4.69            #peak   666
 56 VAL  H      56 VAL  QQG     3.17            #peak   770
 56 VAL  H      64 LEU  QQD     5.44            #peak 15203
 56 VAL  HA     56 VAL  QQG     2.73            #peak   512
 56 VAL  HA     57 GLU  QB      4.89            #peak 10332
 56 VAL  HA     57 GLU  QG      5.34            #peak  8868
 56 VAL  HB     64 LEU  QQD     4.69            #peak 11417
 56 VAL  QQG    57 GLU  H       3.64            #peak  4483
 56 VAL  QQG    58 ASP  H       5.28            #peak 15248
 56 VAL  QQG    64 LEU  QQD     3.04            #peak   427
 56 VAL  QQG    68 PHE  QE      5.08            #peak   767
 57 GLU  H      57 GLU  QB      3.43            #peak   646
 57 GLU  H      57 GLU  QG      3.99            #peak   643
 57 GLU  HA     57 GLU  QG      3.40            #peak  1213
 57 GLU  QB     58 ASP  H       4.46            #peak  2593
 57 GLU  QG     58 ASP  H       4.15            #peak  2592
 58 ASP  H      58 ASP  QB      3.68            #peak    36
 58 ASP  QB     59 GLY  QA      4.58            #peak  8185
 58 ASP  QB     73 TRP  HE1     3.18            #peak  2814
 58 ASP  QB     73 TRP  HZ2     3.44            #peak   396
 59 GLY  H      60 PRO  QD      4.61            #peak 15230
 59 GLY  QA     60 PRO  QB      4.74            #peak  3249
 59 GLY  QA     60 PRO  QD      2.93            #peak  8172
 63 ARG  H      64 LEU  QB      5.34            #peak   247
 64 LEU  H      64 LEU  QB      3.57            #peak   363
 64 LEU  HA     64 LEU  QQD     2.92            #peak   546
 64 LEU  QB     64 LEU  QQD     2.59            #peak  1998
 64 LEU  QB     65 GLY  H       3.94            #peak  1895
 64 LEU  QB     68 PHE  QD      4.84            #peak 15701
 64 LEU  QB     68 PHE  QE      4.53            #peak   756
 64 LEU  QQD    65 GLY  H       4.41            #peak 10915
 64 LEU  QQD    67 SER  H       5.14            #peak  3260
 64 LEU  QQD    67 SER  QB      4.60            #peak  5998
 64 LEU  QQD    68 PHE  QD      3.51            #peak   151
 64 LEU  QQD    68 PHE  QE      2.87            #peak   761
 65 GLY  H      66 ARG  QB      5.34            #peak 10920
 65 GLY  H      70 VAL  QQG     5.44            #peak 10912
 65 GLY  HA2    70 VAL  QQG     3.63            #peak   256
 65 GLY  HA3    70 VAL  QQG     3.90            #peak   115
 66 ARG  H      66 ARG  QB      3.30            #peak   145
 66 ARG  H      70 VAL  QQG     4.61            #peak  4458
 66 ARG  QB     66 ARG  HG2     2.62            #peak  1742
 66 ARG  QB     66 ARG  HG3     2.52            #peak 12744
 66 ARG  QB     66 ARG  QD      2.98            #peak  1604
 66 ARG  QB     67 SER  H       4.15            #peak 15769
 68 PHE  H      70 VAL  QQG     4.25            #peak  1676
 68 PHE  HA     77 VAL  QQG     4.49            #peak  1404
 68 PHE  HB2    70 VAL  QQG     3.78            #peak  1349
 68 PHE  HB2    77 VAL  QQG     5.39            #peak   122
 68 PHE  HB3    70 VAL  QQG     3.76            #peak   113
 68 PHE  QD     70 VAL  QQG     4.06            #peak   158
 68 PHE  QE     77 VAL  QQG     3.50            #peak 15388
 68 PHE  QE     79 LEU  QQD     2.83            #peak   765
 68 PHE  HZ     79 LEU  QQD     3.61            #peak 11925
 69 GLN  H      70 VAL  QQG     4.25            #peak  1595
 69 GLN  HA     70 VAL  QQG     4.66            #peak   107
 69 GLN  HB2    70 VAL  QQG     5.14            #peak   118
 69 GLN  HE21   70 VAL  QQG     5.44            #peak 15188
 70 VAL  H      70 VAL  QQG     2.99            #peak   380
 70 VAL  HA     70 VAL  QQG     2.97            #peak   514
 70 VAL  QQG    71 LYS  H       3.80            #peak 15316
 70 VAL  QQG    71 LYS  QB      4.89            #peak 12514
 70 VAL  QQG    71 LYS  QE      4.65            #peak  9136
 70 VAL  QQG    72 LEU  H       3.76            #peak 15189
 70 VAL  QQG    73 TRP  H       5.16            #peak 15249
 70 VAL  QQG    73 TRP  HA      4.13            #peak  9637
 70 VAL  QQG    73 TRP  HB3     5.44            #peak   317
 70 VAL  QQG    75 THR  H       4.36            #peak  1057
 70 VAL  QQG    75 THR  HB      3.42            #peak  9156
 70 VAL  QQG    77 VAL  QQG     3.54            #peak  1423
 71 LYS  H      71 LYS  QB      3.66            #peak  1578
 71 LYS  H      71 LYS  QG      5.34            #peak  1574
 71 LYS  QB     71 LYS  QE      3.63            #peak   523
 71 LYS  QB     72 LEU  QQD     4.30            #peak  2767
 71 LYS  QG     72 LEU  QQD     5.24            #peak  4373
 72 LEU  H      72 LEU  QB      2.97            #peak   954
 72 LEU  H      72 LEU  QQD     3.88            #peak   283
 72 LEU  H      89 VAL  QQG     3.63            #peak  2613
 72 LEU  HA     72 LEU  QQD     3.65            #peak  2037
 72 LEU  HA     89 VAL  QQG     5.06            #peak  8318
 72 LEU  QB     72 LEU  QQD     2.66            #peak   734
 72 LEU  QB     73 TRP  H       3.72            #peak  2662
 72 LEU  QB     73 TRP  HB3     5.33            #peak   315
 72 LEU  QB     89 VAL  QQG     3.26            #peak   440
 72 LEU  QB     90 ARG  QD      5.34            #peak   336
 72 LEU  HG     89 VAL  QQG     4.92            #peak  4545
 72 LEU  QQD    73 TRP  H       3.74            #peak  2664
 72 LEU  QQD    73 TRP  HE3     5.44            #peak   274
 72 LEU  QQD    74 PRO  HD2     5.28            #peak   319
 72 LEU  QQD    89 VAL  QQG     3.65            #peak  9032
 72 LEU  QQD    90 ARG  HA      3.42            #peak  1674
 72 LEU  QQD    90 ARG  QB      4.60            #peak 10795
 72 LEU  QQD    90 ARG  QG      3.15            #peak 11978
 72 LEU  QQD    90 ARG  QD      3.83            #peak   331
 73 TRP  H      89 VAL  QQG     5.44            #peak  2663
 75 THR  HB     89 VAL  QQG     4.38            #peak  6631
 75 THR  QG2    77 VAL  QQG     2.89            #peak   722
 76 PHE  H      77 VAL  QQG     4.79            #peak   496
 76 PHE  H      89 VAL  QQG     4.43            #peak  2615
 76 PHE  HB2    97 LEU  QQD     5.21            #peak   138
 76 PHE  HB3    97 LEU  QQD     5.44            #peak   133
 76 PHE  QD     97 LEU  QQD     4.16            #peak   563
 76 PHE  QE     97 LEU  QQD     3.12            #peak   911
 76 PHE  HZ     97 LEU  QQD     3.63            #peak  7284
 77 VAL  H      77 VAL  QQG     3.25            #peak   313
 77 VAL  HA     77 VAL  QQG     2.73            #peak   522
 77 VAL  HA     87 ARG  QG      4.69            #peak  8129
 77 VAL  QQG    78 PHE  H       3.27            #peak   613
 77 VAL  QQG    79 LEU  H       5.44            #peak   175
 77 VAL  QQG    84 GLU  QG      3.58            #peak   379
 77 VAL  QQG    85 VAL  H       4.77            #peak  9211
 77 VAL  QQG    87 ARG  H       4.61            #peak  2633
 77 VAL  QQG    87 ARG  HA      4.06            #peak   933
 77 VAL  QQG    87 ARG  HB2     3.98            #peak   269
 77 VAL  QQG    87 ARG  HB3     3.55            #peak  9226
 77 VAL  QQG    87 ARG  QG      4.84            #peak  1402
 77 VAL  QQG    87 ARG  QD      4.80            #peak   323
 77 VAL  QQG    88 VAL  H       4.41            #peak  8001
 78 PHE  H      79 LEU  QQD     5.39            #peak  1180
 78 PHE  H      87 ARG  QG      5.34            #peak   606
 78 PHE  H     104 LEU  QQD     4.68            #peak   614
 78 PHE  HB2    79 LEU  QQD     5.43            #peak   577
 78 PHE  HB2   104 LEU  QQD     3.72            #peak   328
 78 PHE  HB3   104 LEU  QQD     4.40            #peak   377
 78 PHE  QE     97 LEU  QQD     4.19            #peak   735
 78 PHE  HD1   104 LEU  QQD     3.88            #peak  1013
 78 PHE  HD2   104 LEU  QQD     3.98            #peak   972
 79 LEU  H      79 LEU  QQD     3.70            #peak   338
 79 LEU  HA     79 LEU  QQD     3.12            #peak  1821
 79 LEU  HB2    79 LEU  QQD     2.87            #peak  1351
 79 LEU  HB3    79 LEU  QQD     2.79            #peak   689
 79 LEU  QQD    80 ARG  H       3.64            #peak   877
 79 LEU  QQD    82 GLY  H       4.12            #peak  1338
 79 LEU  QQD    82 GLY  QA      3.99            #peak  7938
 79 LEU  QQD    83 ARG  H       3.95            #peak   841
 79 LEU  QQD    84 GLU  H       3.50            #peak   282
 79 LEU  QQD    84 GLU  HA      3.27            #peak  7119
 79 LEU  QQD    84 GLU  HB2     4.25            #peak 10312
 79 LEU  QQD    85 VAL  H       3.89            #peak 14851
 79 LEU  QQD    86 ALA  H       4.85            #peak 15677
 79 LEU  QQD    87 ARG  HB3     5.44            #peak 11249
 80 ARG  H      80 ARG  QB      3.14            #peak   665
 80 ARG  QB     80 ARG  HG2     2.59            #peak  2574
 80 ARG  QB     80 ARG  HG3     2.61            #peak   443
 80 ARG  QB     80 ARG  QD      2.93            #peak   151
 80 ARG  QB     81 ASP  H       4.04            #peak   451
 80 ARG  QB     83 ARG  H       5.29            #peak  1725
 80 ARG  QB     85 VAL  H       4.85            #peak  2168
 80 ARG  QB     85 VAL  QG1     3.86            #peak 10651
 80 ARG  QB     85 VAL  QG2     3.37            #peak  8420
 81 ASP  HB3    83 ARG  QB      3.82            #peak   639
 83 ARG  H      83 ARG  QB      2.68            #peak   569
 83 ARG  H      83 ARG  QG      3.97            #peak   548
 83 ARG  HA     83 ARG  QG      3.73            #peak  1252
 83 ARG  QG     84 GLU  H       3.88            #peak  8025
 85 VAL  H     104 LEU  QQD     4.89            #peak   201
 85 VAL  HB    104 LEU  QQD     3.53            #peak  2680
 85 VAL  QG2   104 LEU  QQD     2.92            #peak   569
 86 ALA  H     104 LEU  QQD     3.42            #peak  1429
 86 ALA  QB    103 SER  QB      5.34            #peak  7951
 86 ALA  QB    104 LEU  QQD     2.47            #peak   436
 87 ARG  H      87 ARG  QG      3.19            #peak  1039
 87 ARG  HA     87 ARG  QG      3.45            #peak   929
 87 ARG  QG     88 VAL  H       4.36            #peak  8005
 87 ARG  QD     89 VAL  QQG     3.75            #peak   346
 88 VAL  H      89 VAL  QQG     4.54            #peak  7991
 88 VAL  H      97 LEU  QQD     5.44            #peak  7999
 88 VAL  HA     89 VAL  QQG     4.06            #peak 11470
 88 VAL  HB     97 LEU  QQD     3.95            #peak   368
 88 VAL  QG1    97 LEU  QQD     3.28            #peak  7611
 88 VAL  QG2    97 LEU  QQD     3.17            #peak   732
 89 VAL  H      89 VAL  QQG     3.03            #peak   457
 89 VAL  QQG    90 ARG  H       3.51            #peak   989
 89 VAL  QQG    90 ARG  HA      4.58            #peak  6631
 89 VAL  QQG    90 ARG  QB      4.35            #peak 10810
 89 VAL  QQG    90 ARG  QD      4.39            #peak  2257
 90 ARG  H      90 ARG  QG      4.02            #peak   490
 90 ARG  H      91 PRO  QD      4.04            #peak   998
 90 ARG  HA     90 ARG  QG      3.03            #peak   557
 91 PRO  HA     97 LEU  QQD     4.44            #peak  8464
 91 PRO  QB     97 LEU  QQD     3.25            #peak  4572
 91 PRO  QG     97 LEU  QQD     4.19            #peak   392
 92 GLY  H      96 VAL  QQG     4.89            #peak 15320
 92 GLY  QA     93 SER  H       3.12            #peak  1915
 92 GLY  QA     93 SER  QB      4.98            #peak 12803
 93 SER  H      96 VAL  QQG     3.83            #peak 12820
 93 SER  HA     96 VAL  QQG     5.44            #peak   483
 93 SER  QB     94 ALA  H       4.26            #peak  1221
 93 SER  QB     94 ALA  QB      4.35            #peak 12806
 93 SER  QB     96 VAL  H       4.08            #peak   703
 94 ALA  HA     97 LEU  QQD     3.76            #peak   570
 95 SER  QB     96 VAL  QQG     3.92            #peak    83
 96 VAL  H      96 VAL  QQG     3.17            #peak  1347
 96 VAL  HA     96 VAL  QQG     2.31            #peak   533
 96 VAL  HB     97 LEU  QQD     4.93            #peak  9424
 96 VAL  QQG    97 LEU  H       3.30            #peak  1549
 96 VAL  QQG    99 GLU  H       4.99            #peak  3317
 96 VAL  QQG   100 ALA  H       4.17            #peak  1185
 97 LEU  H      97 LEU  QQD     3.57            #peak  1363
 97 LEU  HA     97 LEU  QQD     2.84            #peak   511
 97 LEU  QQD    98 GLU  H       4.45            #peak  1152
 97 LEU  QQD    98 GLU  HG3     5.25            #peak   139
 97 LEU  QQD   100 ALA  H       5.16            #peak  7305
 97 LEU  QQD   100 ALA  QB      3.92            #peak   452
 97 LEU  QQD   101 PHE  H       4.32            #peak  2381
 97 LEU  QQD   101 PHE  HA      5.44            #peak   132
 97 LEU  QQD   101 PHE  HB3     5.43            #peak   140
 97 LEU  QQD   101 PHE  QD      3.79            #peak   696
 97 LEU  QQD   101 PHE  QE      3.67            #peak   324
 97 LEU  QQD   101 PHE  HZ      4.95            #peak  1064
100 ALA  HA    104 LEU  QQD     4.13            #peak   321
101 PHE  H     104 LEU  QQD     4.51            #peak  2383
101 PHE  HA    104 LEU  QQD     3.39            #peak   316
102 GLU  H     103 SER  QB      4.53            #peak   781
102 GLU  H     104 LEU  QQD     5.06            #peak   777
102 GLU  HB2   103 SER  QB      5.34            #peak 11558
102 GLU  HG3   103 SER  QB      4.55            #peak 11564
103 SER  H     103 SER  QB      2.94            #peak   561
103 SER  H     104 LEU  QQD     4.17            #peak  2701
103 SER  QB    104 LEU  H       3.36            #peak  1094
103 SER  QB    104 LEU  QQD     3.49            #peak   193
104 LEU  H     104 LEU  QQD     3.03            #peak   404
104 LEU  HA    104 LEU  QQD     2.90            #peak   527
104 LEU  QQD   105 VAL  H       4.12            #peak 12939
110 HIS  QB    110 HIS  HD2     3.45            #peak  2700
   4 ARG   PHI    -166.1   -73.3
   4 ARG   PSI     122.2   174.9
   6 SER   PHI    -146.2   -51.5
   6 SER   PSI      95.1   158.5
   9 ALA   PHI    -136.7   -67.6
   9 ALA   PSI      87.9   192.0
  12 ARG   PHI     -74.4   -45.4
  12 ARG   PSI     -51.6   -14.9
  13 ASP   PHI     -73.4   -44.1
  13 ASP   PSI     -49.0   -12.7
  14 GLU   PHI     -80.5   -50.0
  14 GLU   PSI     -51.9   -30.4
  15 LEU   PHI     -76.7   -54.5
  15 LEU   PSI     -51.0   -11.3
  16 ASP   PHI     -92.4   -43.6
  16 ASP   PSI     -46.5    -3.7
  17 ARG   PHI    -126.2   -80.9
  17 ARG   PSI     -18.1    20.8
  18 LEU   PHI    -132.4   -43.7
  18 LEU   PSI     107.8   162.3
  19 ALA   PHI    -146.2   -42.3
  19 ALA   PSI      82.4   176.9
  20 GLY   PHI    -165.8   -43.9
  20 GLY   PSI      67.9   206.1
  22 THR   PHI    -153.0   -83.4
  22 THR   PSI     109.0   150.5
  23 LEU   PHI    -138.1   -80.4
  23 LEU   PSI     104.0   135.9
  24 VAL   PHI    -123.2   -81.0
  24 VAL   PSI      98.8   134.4
  25 GLU   PHI    -137.5   -94.4
  25 GLU   PSI      86.6   162.4
  26 PHE   PHI    -155.7  -100.2
  26 PHE   PSI     101.0   179.7
  28 THR   PHI    -153.9   -82.2
  28 THR   PSI     134.1   183.9
  31 CYS   PHI    -130.7   -41.7
  31 CYS   PSI      96.0   153.6
  33 HIS   PHI     -73.6   -45.8
  33 HIS   PSI     -70.5    -1.0
  34 CYS   PHI     -72.9   -52.9
  34 CYS   PSI     -50.3   -30.3
  35 GLN   PHI     -74.7   -47.3
  35 GLN   PSI     -58.5   -17.3
  36 ALA   PHI     -87.9   -44.5
  36 ALA   PSI     -62.0     3.7
  37 ALA   PHI    -123.3   -44.4
  37 ALA   PSI     -48.4    30.3
  40 LEU   PHI     -89.2   -45.8
  40 LEU   PSI     -50.4    -3.4
  41 LEU   PHI     -76.9   -52.9
  41 LEU   PSI     -53.1   -27.7
  42 ALA   PHI     -78.1   -51.5
  42 ALA   PSI     -54.7   -18.8
  43 GLU   PHI     -86.5   -47.8
  43 GLU   PSI     -61.8   -19.9
  44 VAL   PHI    -101.7   -42.2
  44 VAL   PSI     -61.1   -16.4
  45 PHE   PHI     -77.4   -53.3
  45 PHE   PSI     -54.7   -13.0
  46 SER   PHI    -108.9   -31.4
  46 SER   PSI     -66.8     6.7
  47 ASP   PHI    -115.9   -62.4
  47 ASP   PSI     -59.6    31.6
  48 TYR   PHI    -151.5   -81.4
  48 TYR   PSI      30.4   167.6
  50 GLU   PHI    -113.6   -54.6
  50 GLU   PSI     -49.1    37.5
  52 GLY   PHI    -133.1   -75.4
  52 GLY   PSI     111.7   161.9
  53 HIS   PHI    -162.4   -93.1
  53 HIS   PSI     125.3   178.2
  54 LEU   PHI    -157.6  -106.5
  54 LEU   PSI     105.0   147.9
  55 LYS   PHI    -145.3   -68.6
  55 LYS   PSI     102.5   156.9
  56 VAL   PHI    -129.1   -89.9
  56 VAL   PSI     103.0   152.2
  57 GLU   PHI    -123.2   -77.7
  57 GLU   PSI      98.8   133.8
  64 LEU   PHI     -71.2   -48.9
  64 LEU   PSI     -50.6   -30.6
  65 GLY   PHI     -86.9   -50.9
  65 GLY   PSI     -53.7   -21.1
  66 ARG   PHI     -76.7   -54.5
  66 ARG   PSI     -53.7   -18.9
  67 SER   PHI     -73.3   -53.3
  67 SER   PSI     -40.6   -20.6
  68 PHE   PHI    -115.4   -74.6
  68 PHE   PSI     -11.1    28.1
  69 GLN   PHI      39.3    84.9
  69 GLN   PSI      11.9    60.2
  70 VAL   PHI    -104.2   -60.4
  70 VAL   PSI     101.9   147.7
  72 LEU   PHI    -181.6   -82.8
  72 LEU   PSI     138.2   177.7
  75 THR   PHI    -165.4   -46.0
  75 THR   PSI      96.8   168.4
  76 PHE   PHI    -145.8   -65.5
  76 PHE   PSI      77.5   157.0
  77 VAL   PHI    -128.5   -84.2
  77 VAL   PSI      97.8   146.1
  78 PHE   PHI    -122.7   -84.0
  78 PHE   PSI     111.1   137.1
  79 LEU   PHI    -167.3   -63.6
  79 LEU   PSI      98.8   181.2
  80 ARG   PHI    -166.5  -101.7
  80 ARG   PSI     106.3   141.7
  82 GLY   PHI      61.0    97.6
  82 GLY   PSI     -25.7    29.9
  83 ARG   PHI    -139.7   -79.5
  83 ARG   PSI     124.5   158.2
  84 GLU   PHI    -102.3   -61.3
  84 GLU   PSI     101.9   162.0
  86 ALA   PHI    -208.3   -98.8
  86 ALA   PSI     137.6   181.4
  87 ARG   PHI    -154.5  -106.4
  87 ARG   PSI     109.9   171.1
  88 VAL   PHI    -147.7  -101.6
  88 VAL   PSI     108.2   141.7
  89 VAL   PHI    -166.0   -68.1
  89 VAL   PSI     110.6   171.9
  94 ALA   PHI     -81.2   -42.5
  94 ALA   PSI     -54.9   -12.7
  95 SER   PHI     -75.9   -55.9
  95 SER   PSI     -61.0   -18.3
  96 VAL   PHI     -96.9   -50.2
  96 VAL   PSI     -48.0   -18.5
  97 LEU   PHI     -89.9   -53.3
  97 LEU   PSI     -71.5     3.3
  98 GLU   PHI     -74.7   -41.8
  98 GLU   PSI     -58.7   -30.0
  99 GLU   PHI     -72.9   -52.9
  99 GLU   PSI     -53.7   -14.6
 100 ALA   PHI     -79.6   -55.9
 100 ALA   PSI     -52.8   -19.8
 101 PHE   PHI     -72.8   -50.3
 101 PHE   PSI     -54.2   -34.2
 102 GLU   PHI     -77.0   -49.0
 102 GLU   PSI     -55.9   -23.9
 103 SER   PHI     -73.7   -53.7
 103 SER   PSI     -54.9   -23.7
 104 LEU   PHI     -82.3   -52.5
 104 LEU   PSI     -60.5    -8.8
 105 VAL   PHI    -115.2   -81.1
 105 VAL   PSI     -32.3    47.0
 106 GLY   PHI      59.3   133.1
 106 GLY   PSI     -23.4    27.2
 109 HIS   PHI    -133.6   -32.2
 109 HIS   PSI     105.2   158.5

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H        MET   1   8.437   6.719   9.250
    2    HA   MET   1           HA       MET   1   6.085   5.863  10.741
    3    HB3  MET   1           1HB      MET   1   6.996   4.328   8.269
    4    HG3  MET   1           1HG      MET   1   6.353   2.672   9.842
    5    HE1  MET   1           3HE      MET   1   2.343   4.780  10.889
    6    HE2  MET   1           1HE      MET   1   3.585   5.574   9.903
    7    HE3  MET   1           2HE      MET   1   2.736   4.141   9.281
    8    H    LYS   2           H        LYS   2   6.549   4.416  12.347
    9    HA   LYS   2           HA       LYS   2   9.355   4.283  13.075
   10    HB3  LYS   2           1HB      LYS   2   7.621   4.848  14.686
   11    HG3  LYS   2           1HG      LYS   2   6.696   1.946  14.478
   12    HD3  LYS   2           1HD      LYS   2   5.776   4.219  16.300
   13    HE3  LYS   2           1HE      LYS   2   4.905   1.295  16.052
   14    HZ1  LYS   2           3HZ      LYS   2   3.954   3.412  17.912
   15    HZ2  LYS   2           1HZ      LYS   2   4.847   2.121  18.353
   16    HZ3  LYS   2           2HZ      LYS   2   3.326   1.909  17.795
   17    H    THR   3           H        THR   3   7.253   1.879  11.637
   18    HA   THR   3           HA       THR   3   9.352  -0.220  12.023
   19    HB   THR   3           HB       THR   3   7.451  -1.838  11.467
   20    HG1  THR   3           HG1      THR   3   5.383  -0.860  12.184
   21   HG21  THR   3          3HG2      THR   3   7.329  -0.250  14.058
   22   HG22  THR   3          1HG2      THR   3   8.438  -1.593  13.684
   23   HG23  THR   3          2HG2      THR   3   6.698  -1.891  13.799
   24    H    ARG   4           H        ARG   4   9.695  -1.697  10.463
   25    HA   ARG   4           HA       ARG   4  10.001  -0.479   7.792
   26    HB3  ARG   4           1HB      ARG   4  11.760  -2.259   7.579
   27    HG3  ARG   4           1HG      ARG   4  11.866  -0.527  10.108
   28    HD3  ARG   4           1HD      ARG   4  14.339  -0.849   9.919
   29    HE   ARG   4           HE       ARG   4  12.618  -2.370  11.358
   30   HH11  ARG   4          1HH1      ARG   4  15.597  -3.287   9.682
   31   HH12  ARG   4          2HH1      ARG   4  15.910  -4.611  10.764
   32   HH21  ARG   4          1HH2      ARG   4  13.086  -4.091  12.725
   33   HH22  ARG   4          2HH2      ARG   4  14.514  -5.049  12.465
   34    H    TYR   5           H        TYR   5  10.293  -2.473   6.093
   35    HA   TYR   5           HA       TYR   5   7.670  -3.508   5.541
   36    HB3  TYR   5           1HB      TYR   5   9.233  -4.919   3.878
   37    HD1  TYR   5           HD2      TYR   5   9.432  -1.136   4.080
   38    HD2  TYR   5           HD1      TYR   5   7.652  -4.599   2.240
   39    HE1  TYR   5           HE2      TYR   5   8.296   0.328   2.426
   40    HE2  TYR   5           HE1      TYR   5   6.537  -3.119   0.554
   41    HH   TYR   5           HH       TYR   5   7.059   0.405   0.492
   42    H    SER   6           H        SER   6   6.980  -5.679   5.256
   43    HA   SER   6           HA       SER   6   8.285  -7.680   7.063
   44    HB3  SER   6           1HB      SER   6   5.350  -7.079   6.604
   45    HG   SER   6           HG       SER   6   6.646  -9.204   8.008
   46    H    ALA   7           H        ALA   7   8.786  -9.560   6.218
   47    HA   ALA   7           HA       ALA   7   8.048 -10.320   3.466
   48    HB1  ALA   7           3HB      ALA   7  10.349 -10.587   4.466
   49    HB2  ALA   7           1HB      ALA   7   9.677 -11.713   5.655
   50    HB3  ALA   7           2HB      ALA   7   9.651 -12.138   3.928
   51    H    GLU   8           H        GLU   8   7.000 -10.930   6.709
   52    HA   GLU   8           HA       GLU   8   5.915 -13.548   6.379
   53    HB3  GLU   8           1HB      GLU   8   5.267 -13.334   8.665
   54    HG3  GLU   8           1HG      GLU   8   7.863 -13.131   7.964
   55    H    ALA   9           H        ALA   9   4.775 -11.466   4.604
   56    HA   ALA   9           HA       ALA   9   2.177 -10.659   5.402
   57    HB1  ALA   9           3HB      ALA   9   3.433  -9.542   3.614
   58    HB2  ALA   9           1HB      ALA   9   3.385 -11.006   2.614
   59    HB3  ALA   9           2HB      ALA   9   1.883 -10.138   2.961
   60    HA   PRO  10           HA       PRO  10  -0.470 -14.176   4.560
   61    HB3  PRO  10           1HB      PRO  10  -2.206 -12.873   5.373
   62    HG3  PRO  10           1HG      PRO  10  -2.408 -10.542   4.751
   63    HD3  PRO  10           1HD      PRO  10  -0.311 -10.922   5.787
   64    H    ALA  11           H        ALA  11  -1.538 -15.346   2.891
   65    HA   ALA  11           HA       ALA  11  -0.691 -14.840   0.114
   66    HB1  ALA  11           3HB      ALA  11  -0.784 -17.148   1.003
   67    HB2  ALA  11           1HB      ALA  11  -2.513 -16.957   1.353
   68    HB3  ALA  11           2HB      ALA  11  -1.941 -16.943  -0.326
   69    H    ARG  12           H        ARG  12  -2.297 -14.614  -1.632
   70    HA   ARG  12           HA       ARG  12  -3.918 -12.379  -1.172
   71    HB3  ARG  12           1HB      ARG  12  -3.972 -14.334  -3.500
   72    HG3  ARG  12           1HG      ARG  12  -5.899 -12.867  -3.713
   73    HD3  ARG  12           1HD      ARG  12  -3.974 -10.522  -3.545
   74    HE   ARG  12           HE       ARG  12  -5.742  -9.557  -4.654
   75   HH11  ARG  12          1HH1      ARG  12  -7.187 -11.628  -2.127
   76   HH12  ARG  12          2HH1      ARG  12  -8.780 -10.992  -2.448
   77   HH21  ARG  12          1HH2      ARG  12  -7.826  -8.862  -4.988
   78   HH22  ARG  12          2HH2      ARG  12  -9.134  -9.497  -4.031
   79    H    ASP  13           H        ASP  13  -4.858 -15.783  -1.077
   80    HA   ASP  13           HA       ASP  13  -7.724 -15.227  -0.944
   81    HB3  ASP  13           1HB      ASP  13  -6.240 -17.771  -0.212
   82    H    GLU  14           H        GLU  14  -5.120 -15.577   1.459
   83    HA   GLU  14           HA       GLU  14  -6.930 -15.855   3.737
   84    HB3  GLU  14           1HB      GLU  14  -4.016 -15.024   3.711
   85    HG3  GLU  14           1HG      GLU  14  -5.199 -14.793   5.917
   86    H    LEU  15           H        LEU  15  -5.128 -13.250   2.129
   87    HA   LEU  15           HA       LEU  15  -5.854 -11.006   3.722
   88    HB3  LEU  15           1HB      LEU  15  -5.072 -11.490   0.822
   89    HG   LEU  15           HG       LEU  15  -5.520  -8.774   2.106
   90   HD11  LEU  15          1HD1      LEU  15  -3.161  -8.927   1.400
   91   HD12  LEU  15          2HD1      LEU  15  -4.066  -7.888   0.291
   92   HD13  LEU  15          3HD1      LEU  15  -3.669  -9.551  -0.189
   93   HD21  LEU  15          3HD2      LEU  15  -7.361  -9.288   0.602
   94   HD22  LEU  15          1HD2      LEU  15  -6.274 -10.068  -0.554
   95   HD23  LEU  15          2HD2      LEU  15  -6.264  -8.321  -0.361
   96    H    ASP  16           H        ASP  16  -7.689 -12.767   1.238
   97    HA   ASP  16           HA       ASP  16  -9.609 -10.707   0.692
   98    HB3  ASP  16           1HB      ASP  16  -9.719 -13.724   0.326
   99    H    ARG  17           H        ARG  17  -9.215 -12.789   3.374
  100    HA   ARG  17           HA       ARG  17 -12.043 -12.799   4.201
  101    HB3  ARG  17           1HB      ARG  17 -11.238 -14.076   6.113
  102    HG3  ARG  17           1HG      ARG  17 -10.268 -16.025   5.087
  103    HD3  ARG  17           1HD      ARG  17 -12.633 -14.881   4.092
  104    HE   ARG  17           HE       ARG  17 -12.145 -14.546   1.837
  105   HH11  ARG  17          1HH1      ARG  17 -10.639 -17.602   2.781
  106   HH12  ARG  17          2HH1      ARG  17 -10.134 -17.939   1.145
  107   HH21  ARG  17          1HH2      ARG  17 -11.596 -15.116  -0.227
  108   HH22  ARG  17          2HH2      ARG  17 -10.678 -16.589  -0.524
  109    H    LEU  18           H        LEU  18  -9.378 -10.617   4.560
  110    HA   LEU  18           HA       LEU  18 -10.169  -9.528   7.146
  111    HB3  LEU  18           1HB      LEU  18  -7.900  -9.315   6.036
  112    HG   LEU  18           HG       LEU  18  -8.823  -8.043   3.911
  113   HD11  LEU  18          1HD1      LEU  18  -8.521  -5.549   4.143
  114   HD12  LEU  18          2HD1      LEU  18  -8.590  -5.753   5.911
  115   HD13  LEU  18          3HD1      LEU  18  -9.991  -6.158   4.895
  116   HD21  LEU  18          3HD2      LEU  18  -6.645  -6.902   3.706
  117   HD22  LEU  18          1HD2      LEU  18  -6.420  -8.492   4.451
  118   HD23  LEU  18          2HD2      LEU  18  -6.390  -7.024   5.453
  119    H    ALA  19           H        ALA  19 -11.016  -7.302   7.478
  120    HA   ALA  19           HA       ALA  19 -12.685  -6.215   5.293
  121    HB1  ALA  19           3HB      ALA  19 -13.933  -7.166   7.906
  122    HB2  ALA  19           1HB      ALA  19 -14.743  -6.208   6.651
  123    HB3  ALA  19           2HB      ALA  19 -14.185  -7.849   6.275
  124    H    GLY  20           H        GLY  20 -12.194  -4.203   5.209
  125    HA2  GLY  20           1HA      GLY  20 -12.869  -2.073   6.647
  126    HA3  GLY  20           2HA      GLY  20 -11.417  -2.544   7.545
  127    HA   PRO  21           HA       PRO  21 -10.394   0.008   3.633
  128    HB3  PRO  21           1HB      PRO  21 -11.350   1.980   4.234
  129    HG3  PRO  21           1HG      PRO  21 -11.749   2.535   6.517
  130    HD3  PRO  21           1HD      PRO  21 -12.697   0.394   6.278
  131    H    THR  22           H        THR  22  -8.517  -1.003   3.164
  132    HA   THR  22           HA       THR  22  -6.154  -0.794   5.005
  133    HB   THR  22           HB       THR  22  -7.153  -3.355   3.684
  134    HG1  THR  22           HG1      THR  22  -8.453  -2.811   5.396
  135   HG21  THR  22          3HG2      THR  22  -4.874  -2.808   5.637
  136   HG22  THR  22          1HG2      THR  22  -4.712  -3.363   3.949
  137   HG23  THR  22          2HG2      THR  22  -5.451  -4.423   5.153
  138    H    LEU  23           H        LEU  23  -4.584   0.133   3.893
  139    HA   LEU  23           HA       LEU  23  -4.354  -0.224   0.982
  140    HB3  LEU  23           1HB      LEU  23  -2.687   1.373   2.967
  141    HG   LEU  23           HG       LEU  23  -1.443   1.020   0.869
  142   HD11  LEU  23          1HD1      LEU  23  -2.937   0.472  -0.783
  143   HD12  LEU  23          2HD1      LEU  23  -2.621   2.150  -1.230
  144   HD13  LEU  23          3HD1      LEU  23  -4.086   1.747  -0.334
  145   HD21  LEU  23          3HD2      LEU  23  -1.145   3.350   0.229
  146   HD22  LEU  23          1HD2      LEU  23  -1.295   3.185   1.980
  147   HD23  LEU  23          2HD2      LEU  23  -2.679   3.781   1.019
  148    H    VAL  24           H        VAL  24  -3.180  -1.839   0.123
  149    HA   VAL  24           HA       VAL  24  -1.076  -3.168   1.802
  150    HB   VAL  24           HB       VAL  24  -2.458  -4.277  -0.669
  151   HG11  VAL  24          1HG1      VAL  24  -0.623  -5.575   1.406
  152   HG12  VAL  24          2HG1      VAL  24  -1.435  -6.418   0.070
  153   HG13  VAL  24          3HG1      VAL  24  -0.179  -5.211  -0.263
  154   HG21  VAL  24          3HG2      VAL  24  -3.624  -5.788   0.956
  155   HG22  VAL  24          1HG2      VAL  24  -2.974  -4.816   2.286
  156   HG23  VAL  24          2HG2      VAL  24  -4.110  -4.100   1.124
  157    H    GLU  25           H        GLU  25   0.887  -2.576   1.395
  158    HA   GLU  25           HA       GLU  25   1.624  -1.297  -1.174
  159    HB3  GLU  25           1HB      GLU  25   2.826  -1.110   1.618
  160    HG3  GLU  25           1HG      GLU  25   3.247   0.769  -0.728
  161    H    PHE  26           H        PHE  26   3.026  -2.222  -2.511
  162    HA   PHE  26           HA       PHE  26   4.640  -4.546  -1.591
  163    HB3  PHE  26           1HB      PHE  26   4.664  -5.298  -3.822
  164    HD1  PHE  26           HD1      PHE  26   2.744  -6.290  -2.083
  165    HD2  PHE  26           HD2      PHE  26   2.100  -3.478  -5.292
  166    HE1  PHE  26           HE1      PHE  26   0.324  -6.838  -2.090
  167    HE2  PHE  26           HE2      PHE  26  -0.298  -4.078  -5.331
  168    HZ   PHE  26           HZ       PHE  26  -1.206  -5.679  -3.667
  169    H    GLY  27           H        GLY  27   6.792  -4.481  -1.642
  170    HA2  GLY  27           1HA      GLY  27   8.581  -3.075  -3.196
  171    HA3  GLY  27           2HA      GLY  27   8.162  -1.932  -1.939
  172    H    THR  28           H        THR  28  10.252  -1.981  -1.052
  173    HA   THR  28           HA       THR  28  10.564  -3.987   1.050
  174    HB   THR  28           HB       THR  28  12.964  -4.296   0.726
  175    HG1  THR  28           HG1      THR  28  13.834  -3.595  -1.341
  176   HG21  THR  28          3HG2      THR  28  11.625  -5.037  -1.893
  177   HG22  THR  28          1HG2      THR  28  11.403  -5.920  -0.379
  178   HG23  THR  28          2HG2      THR  28  13.008  -5.816  -1.104
  179    H    ASP  29           H        ASP  29  12.582  -3.135   2.507
  180    HA   ASP  29           HA       ASP  29  11.938  -0.293   3.032
  181    HB3  ASP  29           1HB      ASP  29  13.799  -2.141   4.556
  182    H    TRP  30           H        TRP  30  14.018  -1.834   0.968
  183    HA   TRP  30           HA       TRP  30  16.279   0.088   1.360
  184    HB3  TRP  30           1HB      TRP  30  16.885  -1.977   2.297
  185    HD1  TRP  30           HD       TRP  30  15.445  -4.083   2.683
  186    HE1  TRP  30           HE1      TRP  30  14.892  -6.185   1.345
  187    HE3  TRP  30           HE3      TRP  30  17.362  -2.659  -1.852
  188    HZ2  TRP  30           HZ2      TRP  30  15.133  -7.096  -1.410
  189    HZ3  TRP  30           HZ3      TRP  30  17.211  -4.164  -3.807
  190    HH2  TRP  30           HH       TRP  30  16.092  -6.380  -3.600
  191    H    CYS  31           H        CYS  31  14.071  -1.064  -1.086
  192    HA   CYS  31           HA       CYS  31  15.838  -0.558  -3.338
  193    HB2  CYS  31           1HB      CYS  31  13.851  -2.007  -3.546
  194    HB3  CYS  31           2HB      CYS  31  12.811  -0.625  -3.193
  195    H    GLY  32           H        GLY  32  15.979   1.245  -4.643
  196    HA2  GLY  32           1HA      GLY  32  15.791   3.871  -3.476
  197    HA3  GLY  32           2HA      GLY  32  16.179   3.494  -5.154
  198    H    HIS  33           H        HIS  33  13.505   1.994  -5.448
  199    HA   HIS  33           HA       HIS  33  11.701   4.173  -6.087
  200    HB2  HIS  33           1HB      HIS  33  11.158   1.228  -5.435
  201    HB3  HIS  33           2HB      HIS  33  10.015   2.353  -6.133
  202    HD1  HIS  33           HD1      HIS  33  12.338  -0.254  -7.160
  203    HD2  HIS  33           HD2      HIS  33  10.799   3.336  -8.700
  204    HE1  HIS  33           HE1      HIS  33  12.312  -0.522  -9.715
  205    H    CYS  34           H        CYS  34  11.923   1.892  -3.353
  206    HA   CYS  34           HA       CYS  34   9.712   2.987  -1.888
  207    HB3  CYS  34           1HB      CYS  34  11.099   1.720   0.017
  208    HG   CYS  34           HG       CYS  34   9.746  -0.333  -0.341
  209    H    GLN  35           H        GLN  35  13.168   3.829  -1.851
  210    HA   GLN  35           HA       GLN  35  12.988   5.347   0.571
  211    HB3  GLN  35           1HB      GLN  35  15.061   6.448  -0.099
  212    HG3  GLN  35           1HG      GLN  35  16.550   4.665  -0.475
  213   HE21  GLN  35          2HE2      GLN  35  14.377   2.092  -0.230
  214   HE22  GLN  35          1HE2      GLN  35  14.399   1.969   1.537
  215    H    ALA  36           H        ALA  36  11.890   6.038  -2.584
  216    HA   ALA  36           HA       ALA  36  11.358   8.917  -2.086
  217    HB1  ALA  36           3HB      ALA  36  10.865   7.122  -4.506
  218    HB2  ALA  36           1HB      ALA  36  10.598   8.876  -4.446
  219    HB3  ALA  36           2HB      ALA  36  12.239   8.217  -4.281
  220    H    ALA  37           H        ALA  37   9.535   5.827  -2.451
  221    HA   ALA  37           HA       ALA  37   6.968   7.217  -2.298
  222    HB1  ALA  37           3HB      ALA  37   5.994   5.006  -2.541
  223    HB2  ALA  37           1HB      ALA  37   7.279   5.246  -3.744
  224    HB3  ALA  37           2HB      ALA  37   7.593   4.238  -2.309
  225    H    GLN  38           H        GLN  38   9.024   5.477   0.001
  226    HA   GLN  38           HA       GLN  38   7.065   5.043   2.044
  227    HB3  GLN  38           1HB      GLN  38   9.154   5.147   3.548
  228    HG3  GLN  38           1HG      GLN  38   9.095   3.159   1.226
  229   HE21  GLN  38          2HE2      GLN  38   9.315   2.124   4.566
  230   HE22  GLN  38          1HE2      GLN  38  11.004   1.649   4.507
  231    HA   PRO  39           HA       PRO  39   8.064   9.293   3.978
  232    HB3  PRO  39           1HB      PRO  39  10.201  10.053   3.582
  233    HG3  PRO  39           1HG      PRO  39  11.255   9.718   1.464
  234    HD3  PRO  39           1HD      PRO  39  10.585   7.605   2.270
  235    H    LEU  40           H        LEU  40   7.144   8.786   0.644
  236    HA   LEU  40           HA       LEU  40   5.432  11.126   0.339
  237    HB3  LEU  40           1HB      LEU  40   4.638   8.625  -1.080
  238    HG   LEU  40           HG       LEU  40   4.697   9.769  -3.039
  239   HD11  LEU  40          1HD1      LEU  40   4.056  12.119  -1.254
  240   HD12  LEU  40          2HD1      LEU  40   3.015  10.683  -1.285
  241   HD13  LEU  40          3HD1      LEU  40   3.295  11.592  -2.775
  242   HD21  LEU  40          3HD2      LEU  40   6.452  11.924  -1.839
  243   HD22  LEU  40          1HD2      LEU  40   5.801  11.905  -3.492
  244   HD23  LEU  40          2HD2      LEU  40   6.946  10.649  -2.987
  245    H    LEU  41           H        LEU  41   4.850   7.665   1.100
  246    HA   LEU  41           HA       LEU  41   2.104   7.900   1.815
  247    HB3  LEU  41           1HB      LEU  41   2.744   5.827   3.318
  248    HG   LEU  41           HG       LEU  41   2.449   4.265   1.622
  249   HD11  LEU  41          1HD1      LEU  41   0.505   4.976   0.414
  250   HD12  LEU  41          2HD1      LEU  41   0.892   6.684   0.662
  251   HD13  LEU  41          3HD1      LEU  41   0.466   5.658   2.053
  252   HD21  LEU  41          3HD2      LEU  41   2.671   4.797  -0.804
  253   HD22  LEU  41          1HD2      LEU  41   4.188   4.821   0.113
  254   HD23  LEU  41          2HD2      LEU  41   3.432   6.339  -0.345
  255    H    ALA  42           H        ALA  42   5.060   8.028   3.838
  256    HA   ALA  42           HA       ALA  42   3.826   8.474   6.325
  257    HB1  ALA  42           3HB      ALA  42   6.416   9.726   5.325
  258    HB2  ALA  42           1HB      ALA  42   5.964   9.406   7.010
  259    HB3  ALA  42           2HB      ALA  42   6.254   8.047   5.897
  260    H    GLU  43           H        GLU  43   4.433  10.932   3.812
  261    HA   GLU  43           HA       GLU  43   3.562  13.174   5.440
  262    HB3  GLU  43           1HB      GLU  43   3.335  14.301   3.123
  263    HG3  GLU  43           1HG      GLU  43   5.878  14.147   2.736
  264    H    VAL  44           H        VAL  44   1.884  11.204   2.901
  265    HA   VAL  44           HA       VAL  44  -0.593  12.661   3.191
  266    HB   VAL  44           HB       VAL  44  -0.278  11.615   1.154
  267   HG11  VAL  44          1HG1      VAL  44   1.188   9.787   1.736
  268   HG12  VAL  44          2HG1      VAL  44  -0.192   8.855   2.388
  269   HG13  VAL  44          3HG1      VAL  44  -0.104   9.329   0.675
  270   HG21  VAL  44          3HG2      VAL  44  -2.371   9.933   2.572
  271   HG22  VAL  44          1HG2      VAL  44  -2.620  11.594   2.025
  272   HG23  VAL  44          2HG2      VAL  44  -2.293  10.311   0.841
  273    H    PHE  45           H        PHE  45   0.450   9.523   4.538
  274    HA   PHE  45           HA       PHE  45  -1.963   8.746   5.738
  275    HB3  PHE  45           1HB      PHE  45   0.409   7.864   7.260
  276    HD1  PHE  45           HD2      PHE  45  -2.055   6.951   8.032
  277    HD2  PHE  45           HD1      PHE  45   0.119   5.739   4.516
  278    HE1  PHE  45           HE2      PHE  45  -3.322   4.870   7.967
  279    HE2  PHE  45           HE1      PHE  45  -1.173   3.631   4.429
  280    HZ   PHE  45           HZ       PHE  45  -2.918   3.184   6.157
  281    H    SER  46           H        SER  46   0.342  11.091   6.949
  282    HA   SER  46           HA       SER  46  -0.327  11.063   9.733
  283    HB3  SER  46           1HB      SER  46   0.497  13.412   9.707
  284    HG   SER  46           HG       SER  46   2.229  11.720   8.181
  285    H    ASP  47           H        ASP  47  -2.257  12.139   7.033
  286    HA   ASP  47           HA       ASP  47  -4.154  13.589   8.822
  287    HB3  ASP  47           1HB      ASP  47  -4.235  13.401   5.804
  288    H    TYR  48           H        TYR  48  -3.698  10.478   7.619
  289    HA   TYR  48           HA       TYR  48  -6.605   9.810   7.851
  290    HB3  TYR  48           1HB      TYR  48  -6.508   8.339   5.954
  291    HD1  TYR  48           HD1      TYR  48  -8.092  10.291   5.558
  292    HD2  TYR  48           HD2      TYR  48  -3.938  10.380   4.477
  293    HE1  TYR  48           HE1      TYR  48  -8.557  12.186   4.007
  294    HE2  TYR  48           HE2      TYR  48  -4.352  12.372   3.047
  295    HH   TYR  48           HH       TYR  48  -5.890  13.836   2.225
  296    HA   PRO  49           HA       PRO  49  -3.525   6.914  10.160
  297    HB3  PRO  49           1HB      PRO  49  -2.992   8.336  11.879
  298    HG3  PRO  49           1HG      PRO  49  -4.529  10.047  12.601
  299    HD3  PRO  49           1HD      PRO  49  -4.120  10.292  10.267
  300    H    GLU  50           H        GLU  50  -7.017   7.303  10.159
  301    HA   GLU  50           HA       GLU  50  -7.599   4.789  11.487
  302    HB3  GLU  50           1HB      GLU  50  -9.226   6.544  11.512
  303    HG3  GLU  50           1HG      GLU  50 -10.656   6.554   9.305
  304    H    VAL  51           H        VAL  51  -6.363   5.466   8.330
  305    HA   VAL  51           HA       VAL  51  -7.494   3.061   7.036
  306    HB   VAL  51           HB       VAL  51  -5.199   4.880   6.190
  307   HG11  VAL  51          1HG1      VAL  51  -4.961   2.732   5.066
  308   HG12  VAL  51          2HG1      VAL  51  -6.683   2.721   4.625
  309   HG13  VAL  51          3HG1      VAL  51  -5.565   3.909   3.913
  310   HG21  VAL  51          3HG2      VAL  51  -8.095   4.787   5.246
  311   HG22  VAL  51          1HG2      VAL  51  -7.372   6.069   6.236
  312   HG23  VAL  51          2HG2      VAL  51  -6.822   5.821   4.576
  313    H    GLY  52           H        GLY  52  -6.431   1.046   6.804
  314    HA2  GLY  52           1HA      GLY  52  -4.192   0.418   8.646
  315    HA3  GLY  52           2HA      GLY  52  -5.097  -0.732   7.626
  316    H    HIS  53           H        HIS  53  -2.119  -0.353   7.944
  317    HA   HIS  53           HA       HIS  53  -1.600  -0.223   5.017
  318    HB2  HIS  53           1HB      HIS  53  -0.816   1.888   6.364
  319    HB3  HIS  53           2HB      HIS  53   0.459   0.852   6.948
  320    HD1  HIS  53           HD1      HIS  53   2.318   2.310   5.583
  321    HD2  HIS  53           HD2      HIS  53  -0.721   0.597   3.242
  322    HE1  HIS  53           HE1      HIS  53   3.013   2.579   3.113
  323    H    LEU  54           H        LEU  54  -0.636  -1.995   4.264
  324    HA   LEU  54           HA       LEU  54   0.898  -3.786   6.114
  325    HB3  LEU  54           1HB      LEU  54  -0.969  -4.377   3.783
  326    HG   LEU  54           HG       LEU  54   0.799  -6.088   3.760
  327   HD11  LEU  54          1HD1      LEU  54   1.665  -5.963   6.041
  328   HD12  LEU  54          2HD1      LEU  54   1.119  -7.609   5.711
  329   HD13  LEU  54          3HD1      LEU  54   0.111  -6.532   6.699
  330   HD21  LEU  54          3HD2      LEU  54  -1.773  -7.108   5.027
  331   HD22  LEU  54          1HD2      LEU  54  -0.642  -8.039   4.016
  332   HD23  LEU  54          2HD2      LEU  54  -1.571  -6.710   3.310
  333    H    LYS  55           H        LYS  55   3.001  -3.446   5.716
  334    HA   LYS  55           HA       LYS  55   4.024  -2.710   3.045
  335    HB3  LYS  55           1HB      LYS  55   6.179  -2.643   4.259
  336    HG3  LYS  55           1HG      LYS  55   4.297  -0.733   4.268
  337    HD3  LYS  55           1HD      LYS  55   3.454  -1.138   6.530
  338    HE3  LYS  55           1HE      LYS  55   6.356  -0.592   7.375
  339    HZ1  LYS  55           3HZ      LYS  55   3.975  -0.966   9.107
  340    HZ2  LYS  55           1HZ      LYS  55   4.721   0.471   8.846
  341    HZ3  LYS  55           2HZ      LYS  55   5.509  -0.717   9.622
  342    H    VAL  56           H        VAL  56   3.912  -4.532   1.680
  343    HA   VAL  56           HA       VAL  56   4.875  -7.160   2.693
  344    HB   VAL  56           HB       VAL  56   3.570  -6.449   0.029
  345   HG11  VAL  56          1HG1      VAL  56   4.905  -8.470  -0.246
  346   HG12  VAL  56          2HG1      VAL  56   4.309  -9.130   1.287
  347   HG13  VAL  56          3HG1      VAL  56   3.218  -8.950  -0.094
  348   HG21  VAL  56          3HG2      VAL  56   1.972  -6.104   1.770
  349   HG22  VAL  56          1HG2      VAL  56   1.614  -7.690   1.092
  350   HG23  VAL  56          2HG2      VAL  56   2.471  -7.567   2.642
  351    H    GLU  57           H        GLU  57   6.833  -7.682   2.595
  352    HA   GLU  57           HA       GLU  57   8.741  -6.286   0.948
  353    HB3  GLU  57           1HB      GLU  57   9.496  -8.652   2.658
  354    HG3  GLU  57           1HG      GLU  57  10.608  -5.869   2.173
  355    H    ASP  58           H        ASP  58   8.469  -6.731  -1.158
  356    HA   ASP  58           HA       ASP  58   7.619  -9.272  -2.137
  357    HB3  ASP  58           1HB      ASP  58   8.644  -6.827  -3.620
  358    H    GLY  59           H        GLY  59  10.742  -8.371  -1.377
  359    HA2  GLY  59           1HA      GLY  59  12.189  -9.970  -3.400
  360    HA3  GLY  59           2HA      GLY  59  12.894  -9.178  -1.981
  361    HA   PRO  60           HA       PRO  60  12.871 -13.079   0.039
  362    HB3  PRO  60           1HB      PRO  60  14.054 -11.909   1.673
  363    HG3  PRO  60           1HG      PRO  60  13.203  -9.881   2.603
  364    HD3  PRO  60           1HD      PRO  60  13.350  -9.494   0.289
  365    H    GLY  61           H        GLY  61   9.900 -11.240   0.537
  366    HA2  GLY  61           1HA      GLY  61   8.517 -13.424   1.986
  367    HA3  GLY  61           2HA      GLY  61   7.949 -11.772   1.684
  368    H    ARG  62           H        ARG  62   5.963 -13.012   1.331
  369    HA   ARG  62           HA       ARG  62   5.534 -14.607  -1.008
  370    HB3  ARG  62           1HB      ARG  62   3.095 -13.468  -0.607
  371    HG3  ARG  62           1HG      ARG  62   3.580 -15.857  -0.433
  372    HD3  ARG  62           1HD      ARG  62   5.480 -15.717   1.277
  373    HE   ARG  62           HE       ARG  62   3.412 -14.688   2.978
  374   HH11  ARG  62          1HH1      ARG  62   6.003 -17.097   3.186
  375   HH12  ARG  62          2HH1      ARG  62   5.967 -17.091   4.928
  376   HH21  ARG  62          1HH2      ARG  62   3.402 -14.737   5.134
  377   HH22  ARG  62          2HH2      ARG  62   4.464 -15.796   6.043
  378    H    ARG  63           H        ARG  63   5.113 -14.152  -3.067
  379    HA   ARG  63           HA       ARG  63   5.690 -11.500  -4.126
  380    HB3  ARG  63           1HB      ARG  63   5.507 -12.602  -6.327
  381    HG3  ARG  63           1HG      ARG  63   7.280 -14.224  -6.182
  382    HD3  ARG  63           1HD      ARG  63   9.033 -13.092  -4.949
  383    HE   ARG  63           HE       ARG  63   7.614 -10.629  -5.391
  384   HH11  ARG  63          1HH1      ARG  63   8.935 -13.296  -7.321
  385   HH12  ARG  63          2HH1      ARG  63   9.315 -12.242  -8.651
  386   HH21  ARG  63          1HH2      ARG  63   8.231  -9.354  -7.010
  387   HH22  ARG  63          2HH2      ARG  63   8.850 -10.015  -8.509
  388    H    LEU  64           H        LEU  64   3.573 -10.947  -2.696
  389    HA   LEU  64           HA       LEU  64   1.011 -11.615  -3.622
  390    HB3  LEU  64           1HB      LEU  64   1.860  -9.133  -2.082
  391    HG   LEU  64           HG       LEU  64  -0.539  -9.151  -2.582
  392   HD11  LEU  64          1HD1      LEU  64  -2.011 -10.927  -1.561
  393   HD12  LEU  64          2HD1      LEU  64  -0.556 -11.892  -1.245
  394   HD13  LEU  64          3HD1      LEU  64  -1.047 -11.511  -2.917
  395   HD21  LEU  64          3HD2      LEU  64   0.092  -9.887   0.309
  396   HD22  LEU  64          1HD2      LEU  64  -1.350  -9.018  -0.260
  397   HD23  LEU  64          2HD2      LEU  64   0.242  -8.279  -0.440
  398    H    GLY  65           H        GLY  65   2.999  -8.839  -4.632
  399    HA2  GLY  65           1HA      GLY  65   1.036  -7.410  -6.095
  400    HA3  GLY  65           2HA      GLY  65   2.779  -7.351  -6.391
  401    H    ARG  66           H        ARG  66   2.666 -10.388  -7.013
  402    HA   ARG  66           HA       ARG  66   2.146 -10.370  -9.841
  403    HB3  ARG  66           1HB      ARG  66   2.191 -12.673  -7.849
  404    HG3  ARG  66           1HG      ARG  66   3.026 -12.814 -10.761
  405    HD3  ARG  66           1HD      ARG  66   3.718 -14.620  -9.129
  406    HE   ARG  66           HE       ARG  66   0.887 -14.583  -8.477
  407   HH11  ARG  66          1HH1      ARG  66   3.594 -16.837  -8.663
  408   HH12  ARG  66          2HH1      ARG  66   2.931 -17.873  -7.436
  409   HH21  ARG  66          1HH2      ARG  66   0.082 -15.910  -6.934
  410   HH22  ARG  66          2HH2      ARG  66   0.932 -17.364  -6.478
  411    H    SER  67           H        SER  67   0.208 -11.498  -7.010
  412    HA   SER  67           HA       SER  67  -2.034 -12.350  -8.672
  413    HB3  SER  67           1HB      SER  67  -2.984 -13.070  -6.539
  414    HG   SER  67           HG       SER  67  -1.208 -14.327  -5.734
  415    H    PHE  68           H        PHE  68  -1.131  -9.347  -7.284
  416    HA   PHE  68           HA       PHE  68  -3.843  -8.221  -7.713
  417    HB3  PHE  68           1HB      PHE  68  -2.472  -6.040  -7.252
  418    HD1  PHE  68           HD2      PHE  68  -4.620  -5.864  -6.114
  419    HD2  PHE  68           HD1      PHE  68  -1.450  -8.337  -4.608
  420    HE1  PHE  68           HE2      PHE  68  -5.761  -5.954  -3.911
  421    HE2  PHE  68           HE1      PHE  68  -2.571  -8.448  -2.394
  422    HZ   PHE  68           HZ       PHE  68  -4.740  -7.261  -2.036
  423    H    GLN  69           H        GLN  69  -1.239  -9.141  -9.655
  424    HA   GLN  69           HA       GLN  69  -0.448  -8.604 -11.701
  425    HB3  GLN  69           1HB      GLN  69  -2.145  -7.967 -13.371
  426    HG3  GLN  69           1HG      GLN  69  -1.865 -10.326 -12.532
  427   HE21  GLN  69          2HE2      GLN  69  -4.630  -8.700 -10.822
  428   HE22  GLN  69          1HE2      GLN  69  -4.871 -10.103  -9.783
  429    H    VAL  70           H        VAL  70   0.519  -6.947  -9.965
  430    HA   VAL  70           HA       VAL  70   0.120  -4.149 -10.273
  431    HB   VAL  70           HB       VAL  70   2.410  -5.850  -9.263
  432   HG11  VAL  70          1HG1      VAL  70   3.552  -3.853  -9.989
  433   HG12  VAL  70          2HG1      VAL  70   2.286  -2.818  -9.299
  434   HG13  VAL  70          3HG1      VAL  70   3.365  -3.755  -8.242
  435   HG21  VAL  70          3HG2      VAL  70   0.232  -5.689  -7.956
  436   HG22  VAL  70          1HG2      VAL  70   1.660  -5.106  -7.098
  437   HG23  VAL  70          2HG2      VAL  70   0.518  -3.945  -7.811
  438    H    LYS  71           H        LYS  71   0.944  -2.604 -11.571
  439    HA   LYS  71           HA       LYS  71   2.154  -3.451 -14.121
  440    HB3  LYS  71           1HB      LYS  71   1.839  -0.773 -14.386
  441    HG3  LYS  71           1HG      LYS  71   0.797  -2.394 -15.825
  442    HD3  LYS  71           1HD      LYS  71  -0.212  -3.974 -14.231
  443    HE3  LYS  71           1HE      LYS  71  -1.159  -2.179 -12.689
  444    HZ1  LYS  71           3HZ      LYS  71  -2.397  -0.890 -14.366
  445    HZ2  LYS  71           1HZ      LYS  71  -3.438  -1.491 -13.258
  446    HZ3  LYS  71           2HZ      LYS  71  -3.340  -2.183 -14.723
  447    H    LEU  72           H        LEU  72   3.018  -0.804 -11.832
  448    HA   LEU  72           HA       LEU  72   5.898  -1.332 -12.454
  449    HB3  LEU  72           1HB      LEU  72   4.875   1.199 -11.149
  450    HG   LEU  72           HG       LEU  72   7.410   0.576 -11.286
  451   HD11  LEU  72          1HD1      LEU  72   8.513   1.143 -13.418
  452   HD12  LEU  72          2HD1      LEU  72   6.931   1.346 -14.199
  453   HD13  LEU  72          3HD1      LEU  72   7.445  -0.250 -13.616
  454   HD21  LEU  72          3HD2      LEU  72   6.628   2.807 -10.720
  455   HD22  LEU  72          1HD2      LEU  72   6.366   3.181 -12.443
  456   HD23  LEU  72          2HD2      LEU  72   8.014   2.922 -11.832
  457    H    TRP  73           H        TRP  73   7.278  -1.708 -10.738
  458    HA   TRP  73           HA       TRP  73   6.255  -3.297  -8.733
  459    HB3  TRP  73           1HB      TRP  73   8.868  -1.830  -8.700
  460    HD1  TRP  73           HD       TRP  73   7.989  -5.565  -8.312
  461    HE1  TRP  73           HE1      TRP  73   9.016  -6.433  -6.140
  462    HE3  TRP  73           HE3      TRP  73   9.736  -1.140  -6.468
  463    HZ2  TRP  73           HZ2      TRP  73  10.764  -5.370  -4.036
  464    HZ3  TRP  73           HZ3      TRP  73  11.037  -1.083  -4.365
  465    HH2  TRP  73           HH       TRP  73  11.629  -3.180  -3.196
  466    HA   PRO  74           HA       PRO  74   6.374  -0.000  -5.358
  467    HB3  PRO  74           1HB      PRO  74   8.023   1.563  -5.638
  468    HG3  PRO  74           1HG      PRO  74   8.446   2.549  -7.811
  469    HD3  PRO  74           1HD      PRO  74   8.649   0.235  -8.088
  470    H    THR  75           H        THR  75   4.267  -0.775  -5.492
  471    HA   THR  75           HA       THR  75   2.152   1.165  -6.297
  472    HB   THR  75           HB       THR  75   2.398  -1.767  -7.064
  473    HG1  THR  75           HG1      THR  75   3.077  -0.545  -8.683
  474   HG21  THR  75          3HG2      THR  75   0.101  -1.559  -8.061
  475   HG22  THR  75          1HG2      THR  75  -0.124  -0.052  -7.143
  476   HG23  THR  75          2HG2      THR  75   0.086  -1.606  -6.295
  477    H    PHE  76           H        PHE  76   0.411   1.156  -5.035
  478    HA   PHE  76           HA       PHE  76   0.164  -0.861  -2.912
  479    HB3  PHE  76           1HB      PHE  76   1.044   0.717  -1.482
  480    HD1  PHE  76           HD2      PHE  76   2.777   1.777  -2.891
  481    HD2  PHE  76           HD1      PHE  76  -1.140   3.436  -2.243
  482    HE1  PHE  76           HE2      PHE  76   3.582   3.970  -3.719
  483    HE2  PHE  76           HE1      PHE  76  -0.325   5.623  -2.959
  484    HZ   PHE  76           HZ       PHE  76   2.021   5.892  -3.789
  485    H    VAL  77           H        VAL  77  -1.758  -1.642  -2.724
  486    HA   VAL  77           HA       VAL  77  -3.959  -0.596  -4.439
  487    HB   VAL  77           HB       VAL  77  -3.583  -3.377  -3.319
  488   HG11  VAL  77          1HG1      VAL  77  -5.575  -2.235  -5.345
  489   HG12  VAL  77          2HG1      VAL  77  -5.422  -3.936  -4.930
  490   HG13  VAL  77          3HG1      VAL  77  -5.971  -2.779  -3.705
  491   HG21  VAL  77          3HG2      VAL  77  -2.969  -4.033  -5.591
  492   HG22  VAL  77          1HG2      VAL  77  -3.265  -2.396  -6.186
  493   HG23  VAL  77          2HG2      VAL  77  -1.911  -2.701  -5.108
  494    H    PHE  78           H        PHE  78  -5.654   0.337  -3.531
  495    HA   PHE  78           HA       PHE  78  -5.957   0.371  -0.586
  496    HB3  PHE  78           1HB      PHE  78  -7.754   2.020  -1.084
  497    HD1  PHE  78           HD2      PHE  78  -5.040   2.495  -3.616
  498    HD2  PHE  78           HD1      PHE  78  -6.566   3.646   0.247
  499    HE1  PHE  78           HE2      PHE  78  -3.219   4.146  -3.393
  500    HE2  PHE  78           HE1      PHE  78  -4.781   5.394   0.396
  501    HZ   PHE  78           HZ       PHE  78  -3.138   5.629  -1.445
  502    H    LEU  79           H        LEU  79  -7.048  -1.225   0.305
  503    HA   LEU  79           HA       LEU  79  -9.217  -2.573  -1.187
  504    HB3  LEU  79           1HB      LEU  79  -9.117  -4.345   0.414
  505    HG   LEU  79           HG       LEU  79  -6.247  -3.642  -0.047
  506   HD11  LEU  79          1HD1      LEU  79  -5.917  -6.080   0.088
  507   HD12  LEU  79          2HD1      LEU  79  -7.667  -6.307   0.272
  508   HD13  LEU  79          3HD1      LEU  79  -6.724  -5.475   1.545
  509   HD21  LEU  79          3HD2      LEU  79  -6.236  -4.942  -2.075
  510   HD22  LEU  79          1HD2      LEU  79  -7.381  -3.615  -2.249
  511   HD23  LEU  79          2HD2      LEU  79  -7.969  -5.270  -1.939
  512    H    ARG  80           H        ARG  80 -11.044  -3.079  -0.053
  513    HA   ARG  80           HA       ARG  80 -11.765  -2.024   2.544
  514    HB3  ARG  80           1HB      ARG  80 -13.479  -1.131   0.202
  515    HG3  ARG  80           1HG      ARG  80 -13.341  -0.233   3.123
  516    HD3  ARG  80           1HD      ARG  80 -15.549   0.957   2.109
  517    HE   ARG  80           HE       ARG  80 -13.145   2.519   1.499
  518   HH11  ARG  80          1HH1      ARG  80 -15.259   1.483   4.144
  519   HH12  ARG  80          2HH1      ARG  80 -14.898   2.893   5.096
  520   HH21  ARG  80          1HH2      ARG  80 -12.725   4.280   2.760
  521   HH22  ARG  80          2HH2      ARG  80 -13.475   4.452   4.327
  522    H    ASP  81           H        ASP  81 -13.394  -3.379   3.428
  523    HA   ASP  81           HA       ASP  81 -14.317  -5.449   3.774
  524    HB3  ASP  81           1HB      ASP  81 -15.029  -5.413   0.805
  525    H    GLY  82           H        GLY  82 -11.438  -5.209   2.640
  526    HA2  GLY  82           1HA      GLY  82  -9.682  -6.679   2.250
  527    HA3  GLY  82           2HA      GLY  82 -10.830  -8.044   2.328
  528    H    ARG  83           H        ARG  83 -11.577  -5.524   0.046
  529    HA   ARG  83           HA       ARG  83 -10.345  -7.018  -2.228
  530    HB3  ARG  83           1HB      ARG  83 -12.503  -6.597  -3.487
  531    HG3  ARG  83           1HG      ARG  83 -11.795  -8.832  -2.231
  532    HD3  ARG  83           1HD      ARG  83 -14.531  -8.178  -1.069
  533    HE   ARG  83           HE       ARG  83 -12.836 -10.593  -1.107
  534   HH11  ARG  83          1HH1      ARG  83 -15.560  -9.054   0.646
  535   HH12  ARG  83          2HH1      ARG  83 -16.140 -10.591   1.186
  536   HH21  ARG  83          1HH2      ARG  83 -13.603 -12.471  -0.242
  537   HH22  ARG  83          2HH2      ARG  83 -15.069 -12.497   0.705
  538    H    GLU  84           H        GLU  84  -9.945  -5.786  -4.027
  539    HA   GLU  84           HA       GLU  84  -9.024  -3.179  -3.506
  540    HB3  GLU  84           1HB      GLU  84  -9.397  -4.679  -6.109
  541    HG3  GLU  84           1HG      GLU  84  -8.064  -2.002  -5.622
  542    H    VAL  85           H        VAL  85  -9.862  -1.284  -3.424
  543    HA   VAL  85           HA       VAL  85 -12.348  -0.577  -4.961
  544    HB   VAL  85           HB       VAL  85 -12.420   1.448  -3.503
  545   HG11  VAL  85          1HG1      VAL  85 -12.625  -1.211  -2.050
  546   HG12  VAL  85          2HG1      VAL  85 -13.466   0.298  -1.647
  547   HG13  VAL  85          3HG1      VAL  85 -13.847  -0.527  -3.166
  548   HG21  VAL  85          3HG2      VAL  85 -10.020   1.350  -2.623
  549   HG22  VAL  85          1HG2      VAL  85 -11.277   1.507  -1.362
  550   HG23  VAL  85          2HG2      VAL  85 -10.513  -0.047  -1.652
  551    H    ALA  86           H        ALA  86  -8.930  -0.002  -4.692
  552    HA   ALA  86           HA       ALA  86  -8.701   1.411  -7.171
  553    HB1  ALA  86           3HB      ALA  86  -8.324   2.956  -4.557
  554    HB2  ALA  86           1HB      ALA  86  -7.837   3.560  -6.147
  555    HB3  ALA  86           2HB      ALA  86  -9.547   3.309  -5.810
  556    H    ARG  87           H        ARG  87  -6.366   2.281  -7.322
  557    HA   ARG  87           HA       ARG  87  -4.503   1.476  -5.282
  558    HB3  ARG  87           1HB      ARG  87  -4.635  -0.600  -6.559
  559    HG3  ARG  87           1HG      ARG  87  -3.432   1.048  -8.843
  560    HD3  ARG  87           1HD      ARG  87  -2.468  -1.222  -8.254
  561    HE   ARG  87           HE       ARG  87  -5.183  -2.092  -8.496
  562   HH11  ARG  87          1HH1      ARG  87  -2.011  -3.135  -9.745
  563   HH12  ARG  87          2HH1      ARG  87  -2.576  -4.774  -9.941
  564   HH21  ARG  87          1HH2      ARG  87  -5.741  -4.239  -8.675
  565   HH22  ARG  87          2HH2      ARG  87  -4.581  -5.377  -9.347
  566    H    VAL  88           H        VAL  88  -2.423   2.413  -5.544
  567    HA   VAL  88           HA       VAL  88  -2.256   4.615  -7.614
  568    HB   VAL  88           HB       VAL  88  -1.317   4.589  -4.762
  569   HG11  VAL  88          1HG1      VAL  88  -0.577   6.607  -6.940
  570   HG12  VAL  88          2HG1      VAL  88  -0.278   6.843  -5.213
  571   HG13  VAL  88          3HG1      VAL  88   0.550   5.543  -6.089
  572   HG21  VAL  88          3HG2      VAL  88  -2.600   6.552  -4.387
  573   HG22  VAL  88          1HG2      VAL  88  -2.959   6.725  -6.131
  574   HG23  VAL  88          2HG2      VAL  88  -3.660   5.391  -5.204
  575    H    VAL  89           H        VAL  89  -0.714   4.308  -8.997
  576    HA   VAL  89           HA       VAL  89   1.618   2.502  -8.426
  577    HB   VAL  89           HB       VAL  89   0.373   3.215 -11.116
  578   HG11  VAL  89          1HG1      VAL  89   1.831   1.447 -12.049
  579   HG12  VAL  89          2HG1      VAL  89   2.759   2.769 -11.347
  580   HG13  VAL  89          3HG1      VAL  89   2.590   1.239 -10.463
  581   HG21  VAL  89          3HG2      VAL  89  -0.402   0.879 -11.281
  582   HG22  VAL  89          1HG2      VAL  89   0.118   0.568  -9.618
  583   HG23  VAL  89          2HG2      VAL  89  -1.177   1.734  -9.946
  584    H    ARG  90           H        ARG  90   3.531   3.550  -8.348
  585    HA   ARG  90           HA       ARG  90   5.118   5.159  -8.397
  586    HB3  ARG  90           1HB      ARG  90   4.038   5.947 -11.118
  587    HG3  ARG  90           1HG      ARG  90   6.838   5.705  -9.929
  588    HD3  ARG  90           1HD      ARG  90   5.938   7.005 -12.529
  589    HE   ARG  90           HE       ARG  90   8.711   6.228 -11.695
  590   HH11  ARG  90          1HH1      ARG  90   6.556   8.879 -12.596
  591   HH12  ARG  90          2HH1      ARG  90   7.867  10.003 -12.776
  592   HH21  ARG  90          1HH2      ARG  90  10.349   7.709 -11.982
  593   HH22  ARG  90          2HH2      ARG  90   9.994   9.338 -12.469
  594    HA   PRO  91           HA       PRO  91   2.038   8.350  -6.913
  595    HB3  PRO  91           1HB      PRO  91   2.301   7.766  -4.783
  596    HG3  PRO  91           1HG      PRO  91   4.309   6.752  -3.980
  597    HD3  PRO  91           1HD      PRO  91   3.653   5.526  -5.915
  598    H    GLY  92           H        GLY  92   5.584   9.098  -6.704
  599    HA2  GLY  92           1HA      GLY  92   6.800  10.763  -7.755
  600    HA3  GLY  92           2HA      GLY  92   5.325  11.284  -8.604
  601    H    SER  93           H        SER  93   3.634  12.116  -6.723
  602    HA   SER  93           HA       SER  93   4.976  14.094  -4.957
  603    HB3  SER  93           1HB      SER  93   3.465  15.872  -5.897
  604    HG   SER  93           HG       SER  93   5.274  14.787  -7.827
  605    H    ALA  94           H        ALA  94   3.721  14.683  -3.159
  606    HA   ALA  94           HA       ALA  94   1.711  12.977  -2.204
  607    HB1  ALA  94           3HB      ALA  94   1.476  14.666  -0.438
  608    HB2  ALA  94           1HB      ALA  94   3.184  14.424  -0.815
  609    HB3  ALA  94           2HB      ALA  94   2.337  15.863  -1.424
  610    H    SER  95           H        SER  95   1.288  15.823  -4.269
  611    HA   SER  95           HA       SER  95  -1.513  16.189  -3.929
  612    HB3  SER  95           1HB      SER  95  -0.169  17.779  -5.135
  613    HG   SER  95           HG       SER  95   0.760  17.178  -7.193
  614    H    VAL  96           H        VAL  96   0.220  13.622  -5.695
  615    HA   VAL  96           HA       VAL  96  -2.271  12.618  -6.952
  616    HB   VAL  96           HB       VAL  96   0.539  11.432  -6.785
  617   HG11  VAL  96          1HG1      VAL  96  -0.178   9.997  -8.697
  618   HG12  VAL  96          2HG1      VAL  96  -1.073   9.638  -7.224
  619   HG13  VAL  96          3HG1      VAL  96  -1.839  10.605  -8.506
  620   HG21  VAL  96          3HG2      VAL  96   0.564  13.528  -8.073
  621   HG22  VAL  96          1HG2      VAL  96   0.775  12.151  -9.157
  622   HG23  VAL  96          2HG2      VAL  96  -0.810  12.960  -9.057
  623    H    LEU  97           H        LEU  97  -0.082  11.738  -4.264
  624    HA   LEU  97           HA       LEU  97  -1.518   9.295  -3.659
  625    HB3  LEU  97           1HB      LEU  97   0.082  10.410  -1.448
  626    HG   LEU  97           HG       LEU  97   0.533   8.086  -3.401
  627   HD11  LEU  97          1HD1      LEU  97   1.816   8.611  -0.695
  628   HD12  LEU  97          2HD1      LEU  97   2.605   8.690  -2.295
  629   HD13  LEU  97          3HD1      LEU  97   2.010   7.148  -1.704
  630   HD21  LEU  97          3HD2      LEU  97  -1.457   7.520  -2.345
  631   HD22  LEU  97          1HD2      LEU  97  -1.046   8.368  -0.863
  632   HD23  LEU  97          2HD2      LEU  97  -0.271   6.826  -1.221
  633    H    GLU  98           H        GLU  98  -1.486  12.500  -2.015
  634    HA   GLU  98           HA       GLU  98  -3.442  11.933  -0.066
  635    HB3  GLU  98           1HB      GLU  98  -3.895  14.383  -0.125
  636    HG3  GLU  98           1HG      GLU  98  -0.909  13.744  -0.115
  637    H    GLU  99           H        GLU  99  -3.902  13.097  -3.451
  638    HA   GLU  99           HA       GLU  99  -6.705  13.481  -3.421
  639    HB3  GLU  99           1HB      GLU  99  -4.749  12.658  -5.590
  640    HG3  GLU  99           1HG      GLU  99  -7.704  13.211  -5.852
  641    H    ALA 100           H        ALA 100  -4.843  10.463  -3.880
  642    HA   ALA 100           HA       ALA 100  -7.245   8.868  -4.352
  643    HB1  ALA 100           3HB      ALA 100  -4.389   8.087  -3.648
  644    HB2  ALA 100           1HB      ALA 100  -5.667   6.987  -4.216
  645    HB3  ALA 100           2HB      ALA 100  -5.064   8.267  -5.289
  646    H    PHE 101           H        PHE 101  -5.239   9.689  -1.470
  647    HA   PHE 101           HA       PHE 101  -6.342   7.648   0.222
  648    HB3  PHE 101           1HB      PHE 101  -5.692   9.625   1.953
  649    HD1  PHE 101           HD1      PHE 101  -3.245   7.906  -0.470
  650    HD2  PHE 101           HD2      PHE 101  -4.969   8.027   3.505
  651    HE1  PHE 101           HE1      PHE 101  -1.674   6.214   0.298
  652    HE2  PHE 101           HE2      PHE 101  -3.377   6.281   4.233
  653    HZ   PHE 101           HZ       PHE 101  -1.713   5.384   2.584
  654    H    GLU 102           H        GLU 102  -7.199  11.119  -0.147
  655    HA   GLU 102           HA       GLU 102  -9.463  11.021   1.608
  656    HB3  GLU 102           1HB      GLU 102  -8.737  13.167   1.138
  657    HG3  GLU 102           1HG      GLU 102  -8.634  12.414  -1.739
  658    H    SER 103           H        SER 103  -9.181  10.157  -1.842
  659    HA   SER 103           HA       SER 103 -12.019   9.975  -2.265
  660    HB3  SER 103           1HB      SER 103  -9.774   8.605  -3.787
  661    HG   SER 103           HG       SER 103 -11.330   8.808  -5.528
  662    H    LEU 104           H        LEU 104  -9.642   7.666  -0.985
  663    HA   LEU 104           HA       LEU 104 -11.673   5.472  -1.071
  664    HB3  LEU 104           1HB      LEU 104  -9.693   4.063  -0.389
  665    HG   LEU 104           HG       LEU 104  -8.925   3.640  -2.466
  666   HD11  LEU 104          1HD1      LEU 104 -11.374   5.236  -3.293
  667   HD12  LEU 104          2HD1      LEU 104 -11.466   3.682  -2.429
  668   HD13  LEU 104          3HD1      LEU 104 -10.732   3.755  -4.027
  669   HD21  LEU 104          3HD2      LEU 104  -9.253   6.515  -3.354
  670   HD22  LEU 104          1HD2      LEU 104  -8.629   5.217  -4.347
  671   HD23  LEU 104          2HD2      LEU 104  -7.720   5.708  -2.912
  672    H    VAL 105           H        VAL 105 -10.083   7.542   1.258
  673    HA   VAL 105           HA       VAL 105 -11.029   6.043   3.548
  674    HB   VAL 105           HB       VAL 105  -9.166   7.930   3.327
  675   HG11  VAL 105          1HG1      VAL 105 -11.464   9.631   4.345
  676   HG12  VAL 105          2HG1      VAL 105  -9.794  10.115   4.047
  677   HG13  VAL 105          3HG1      VAL 105 -10.834   9.714   2.689
  678   HG21  VAL 105          3HG2      VAL 105 -10.860   7.797   5.828
  679   HG22  VAL 105          1HG2      VAL 105  -9.690   6.561   5.316
  680   HG23  VAL 105          2HG2      VAL 105  -9.121   8.195   5.663
  681    H    GLY 106           H        GLY 106 -12.518   8.272   1.318
  682    HA2  GLY 106           1HA      GLY 106 -14.837   8.451   1.029
  683    HA3  GLY 106           2HA      GLY 106 -15.122   8.104   2.755
  684    H    GLU 107           H        GLU 107 -12.657  10.437   2.048
  685    HA   GLU 107           HA       GLU 107 -14.370  12.707   2.934
  686    HB3  GLU 107           1HB      GLU 107 -12.029  13.724   3.326
  687    HG3  GLU 107           1HG      GLU 107 -11.571  12.352   5.389
  688    H    GLY 108           H        GLY 108 -13.848  11.426   0.091
  689    HA2  GLY 108           1HA      GLY 108 -12.146  12.954  -1.413
  690    HA3  GLY 108           2HA      GLY 108 -13.505  12.070  -2.100
  Start of MODEL    2
    1    H1   MET   1           H        MET   1   2.374   3.362  11.952
    2    HA   MET   1           HA       MET   1   3.566   3.039   9.937
    3    HB3  MET   1           1HB      MET   1   4.254   5.367   9.082
    4    HG3  MET   1           1HG      MET   1   1.914   6.282   9.206
    5    HE1  MET   1           3HE      MET   1   2.246   6.109   6.727
    6    HE2  MET   1           1HE      MET   1   3.652   5.041   6.924
    7    HE3  MET   1           2HE      MET   1   2.346   4.621   5.791
    8    H    LYS   2           H        LYS   2   5.521   4.123  12.573
    9    HA   LYS   2           HA       LYS   2   8.009   4.577  11.264
   10    HB3  LYS   2           1HB      LYS   2   7.425   3.769  14.146
   11    HG3  LYS   2           1HG      LYS   2   9.709   5.343  12.888
   12    HD3  LYS   2           1HD      LYS   2   8.956   6.506  14.932
   13    HE3  LYS   2           1HE      LYS   2   9.521   3.832  16.298
   14    HZ1  LYS   2           3HZ      LYS   2   8.762   6.441  17.490
   15    HZ2  LYS   2           1HZ      LYS   2  10.239   5.747  17.618
   16    HZ3  LYS   2           2HZ      LYS   2   8.940   5.047  18.314
   17    H    THR   3           H        THR   3   6.540   1.539  11.998
   18    HA   THR   3           HA       THR   3   8.832  -0.129  12.388
   19    HB   THR   3           HB       THR   3   7.150  -1.959  11.681
   20    HG1  THR   3           HG1      THR   3   4.975  -1.168  11.781
   21   HG21  THR   3          3HG2      THR   3   5.968  -1.768  13.832
   22   HG22  THR   3          1HG2      THR   3   6.506  -0.078  13.995
   23   HG23  THR   3          2HG2      THR   3   7.694  -1.406  14.005
   24    H    ARG   4           H        ARG   4   9.556  -1.836  11.059
   25    HA   ARG   4           HA       ARG   4  10.221  -0.986   8.321
   26    HB3  ARG   4           1HB      ARG   4  11.554  -3.195   8.445
   27    HG3  ARG   4           1HG      ARG   4  12.741  -1.131   8.702
   28    HD3  ARG   4           1HD      ARG   4  11.576   0.083  10.477
   29    HE   ARG   4           HE       ARG   4  12.042  -2.288  12.096
   30   HH11  ARG   4          1HH1      ARG   4  11.645   1.223  12.383
   31   HH12  ARG   4          2HH1      ARG   4  11.305   1.119  14.082
   32   HH21  ARG   4          1HH2      ARG   4  11.551  -2.333  14.280
   33   HH22  ARG   4          2HH2      ARG   4  11.204  -0.857  15.118
   34    H    TYR   5           H        TYR   5  10.155  -2.694   6.572
   35    HA   TYR   5           HA       TYR   5   7.514  -3.620   6.076
   36    HB3  TYR   5           1HB      TYR   5   8.830  -5.001   4.270
   37    HD1  TYR   5           HD1      TYR   5   6.871  -4.051   3.254
   38    HD2  TYR   5           HD2      TYR   5  10.319  -1.650   4.132
   39    HE1  TYR   5           HE1      TYR   5   6.064  -2.303   1.621
   40    HE2  TYR   5           HE2      TYR   5   9.565   0.050   2.486
   41    HH   TYR   5           HH       TYR   5   8.032   0.607   0.892
   42    H    SER   6           H        SER   6   6.616  -5.683   5.807
   43    HA   SER   6           HA       SER   6   7.740  -7.742   7.649
   44    HB3  SER   6           1HB      SER   6   5.402  -8.504   7.827
   45    HG   SER   6           HG       SER   6   6.051  -6.966   9.355
   46    H    ALA   7           H        ALA   7   8.667  -9.432   6.697
   47    HA   ALA   7           HA       ALA   7   8.008 -10.349   3.970
   48    HB1  ALA   7           3HB      ALA   7   9.813 -11.496   6.166
   49    HB2  ALA   7           1HB      ALA   7   9.742 -12.032   4.466
   50    HB3  ALA   7           2HB      ALA   7  10.318 -10.401   4.850
   51    H    GLU   8           H        GLU   8   6.972 -11.058   7.209
   52    HA   GLU   8           HA       GLU   8   5.747 -13.629   6.534
   53    HB3  GLU   8           1HB      GLU   8   6.806 -13.402   8.697
   54    HG3  GLU   8           1HG      GLU   8   5.370 -12.075  10.460
   55    H    ALA   9           H        ALA   9   4.786 -11.162   5.159
   56    HA   ALA   9           HA       ALA   9   2.181 -10.455   6.080
   57    HB1  ALA   9           3HB      ALA   9   3.398  -9.065   4.492
   58    HB2  ALA   9           1HB      ALA   9   3.416 -10.381   3.289
   59    HB3  ALA   9           2HB      ALA   9   1.887  -9.601   3.727
   60    HA   PRO  10           HA       PRO  10  -0.415 -13.861   4.978
   61    HB3  PRO  10           1HB      PRO  10  -2.171 -12.646   5.833
   62    HG3  PRO  10           1HG      PRO  10  -2.392 -10.285   5.399
   63    HD3  PRO  10           1HD      PRO  10  -0.283 -10.758   6.406
   64    H    ALA  11           H        ALA  11  -1.416 -15.031   3.286
   65    HA   ALA  11           HA       ALA  11  -0.768 -14.331   0.489
   66    HB1  ALA  11           3HB      ALA  11  -2.469 -16.571   1.714
   67    HB2  ALA  11           1HB      ALA  11  -1.974 -16.457   0.013
   68    HB3  ALA  11           2HB      ALA  11  -0.754 -16.697   1.279
   69    H    ARG  12           H        ARG  12  -2.525 -14.095  -1.147
   70    HA   ARG  12           HA       ARG  12  -4.240 -11.998  -0.353
   71    HB3  ARG  12           1HB      ARG  12  -4.714 -13.559  -2.906
   72    HG3  ARG  12           1HG      ARG  12  -4.669 -10.598  -2.153
   73    HD3  ARG  12           1HD      ARG  12  -5.027 -11.927  -4.873
   74    HE   ARG  12           HE       ARG  12  -5.010  -8.989  -4.245
   75   HH11  ARG  12          1HH1      ARG  12  -6.595 -11.643  -5.974
   76   HH12  ARG  12          2HH1      ARG  12  -7.674 -10.568  -6.809
   77   HH21  ARG  12          1HH2      ARG  12  -6.374  -7.661  -5.407
   78   HH22  ARG  12          2HH2      ARG  12  -7.534  -8.341  -6.500
   79    H    ASP  13           H        ASP  13  -4.939 -15.439  -0.533
   80    HA   ASP  13           HA       ASP  13  -7.796 -15.264  -0.131
   81    HB3  ASP  13           1HB      ASP  13  -7.558 -17.646   0.554
   82    H    GLU  14           H        GLU  14  -5.071 -15.006   2.113
   83    HA   GLU  14           HA       GLU  14  -6.736 -15.329   4.538
   84    HB3  GLU  14           1HB      GLU  14  -4.575 -14.763   5.655
   85    HG3  GLU  14           1HG      GLU  14  -4.293 -16.980   3.576
   86    H    LEU  15           H        LEU  15  -5.180 -12.824   2.572
   87    HA   LEU  15           HA       LEU  15  -5.692 -10.479   4.117
   88    HB3  LEU  15           1HB      LEU  15  -5.636 -10.884   1.095
   89    HG   LEU  15           HG       LEU  15  -5.999  -8.492   2.152
   90   HD11  LEU  15          1HD1      LEU  15  -4.044  -8.731   3.772
   91   HD12  LEU  15          2HD1      LEU  15  -3.950  -7.325   2.698
   92   HD13  LEU  15          3HD1      LEU  15  -2.967  -8.754   2.347
   93   HD21  LEU  15          3HD2      LEU  15  -5.625  -8.853  -0.201
   94   HD22  LEU  15          1HD2      LEU  15  -3.910  -9.209   0.057
   95   HD23  LEU  15          2HD2      LEU  15  -4.517  -7.578   0.340
   96    H    ASP  16           H        ASP  16  -7.688 -12.275   1.768
   97    HA   ASP  16           HA       ASP  16  -9.850 -10.488   1.503
   98    HB3  ASP  16           1HB      ASP  16  -9.740 -13.521   1.375
   99    H    ARG  17           H        ARG  17  -8.955 -12.277   4.316
  100    HA   ARG  17           HA       ARG  17 -11.603 -12.377   5.546
  101    HB3  ARG  17           1HB      ARG  17 -10.378 -13.022   7.572
  102    HG3  ARG  17           1HG      ARG  17  -9.150 -15.025   6.839
  103    HD3  ARG  17           1HD      ARG  17 -10.837 -16.138   5.408
  104    HE   ARG  17           HE       ARG  17 -11.293 -15.681   7.859
  105   HH11  ARG  17          1HH1      ARG  17 -13.519 -14.445   5.408
  106   HH12  ARG  17          2HH1      ARG  17 -14.850 -14.392   6.524
  107   HH21  ARG  17          1HH2      ARG  17 -13.054 -15.590   9.250
  108   HH22  ARG  17          2HH2      ARG  17 -14.593 -15.035   8.652
  109    H    LEU  18           H        LEU  18  -9.229  -9.862   5.045
  110    HA   LEU  18           HA       LEU  18 -10.014  -8.336   7.408
  111    HB3  LEU  18           1HB      LEU  18  -7.812  -8.112   6.211
  112    HG   LEU  18           HG       LEU  18  -8.810  -7.501   3.866
  113   HD11  LEU  18          1HD1      LEU  18  -8.933  -5.009   3.503
  114   HD12  LEU  18          2HD1      LEU  18  -9.002  -4.803   5.271
  115   HD13  LEU  18          3HD1      LEU  18 -10.297  -5.651   4.403
  116   HD21  LEU  18          3HD2      LEU  18  -6.399  -7.464   4.462
  117   HD22  LEU  18          1HD2      LEU  18  -6.599  -5.847   5.168
  118   HD23  LEU  18          2HD2      LEU  18  -6.814  -6.087   3.421
  119    H    ALA  19           H        ALA  19 -11.144  -6.259   7.395
  120    HA   ALA  19           HA       ALA  19 -13.293  -6.046   5.301
  121    HB1  ALA  19           3HB      ALA  19 -14.940  -5.799   7.091
  122    HB2  ALA  19           1HB      ALA  19 -14.104  -7.358   7.237
  123    HB3  ALA  19           2HB      ALA  19 -13.681  -6.022   8.329
  124    H    GLY  20           H        GLY  20 -11.168  -4.261   7.497
  125    HA2  GLY  20           1HA      GLY  20 -12.688  -1.786   7.273
  126    HA3  GLY  20           2HA      GLY  20 -11.099  -1.989   8.047
  127    HA   PRO  21           HA       PRO  21 -10.444   0.167   3.915
  128    HB3  PRO  21           1HB      PRO  21 -10.735   2.454   4.073
  129    HG3  PRO  21           1HG      PRO  21 -12.697   1.873   5.268
  130    HD3  PRO  21           1HD      PRO  21 -12.651   0.361   7.049
  131    H    THR  22           H        THR  22  -8.521  -0.820   3.487
  132    HA   THR  22           HA       THR  22  -6.130  -0.316   5.234
  133    HB   THR  22           HB       THR  22  -7.123  -3.019   4.244
  134    HG1  THR  22           HG1      THR  22  -7.148  -3.390   6.520
  135   HG21  THR  22          3HG2      THR  22  -4.548  -2.231   5.697
  136   HG22  THR  22          1HG2      THR  22  -4.669  -2.989   4.106
  137   HG23  THR  22          2HG2      THR  22  -5.135  -3.899   5.542
  138    H    LEU  23           H        LEU  23  -4.550   0.472   4.043
  139    HA   LEU  23           HA       LEU  23  -4.388  -0.091   1.150
  140    HB3  LEU  23           1HB      LEU  23  -2.617   1.568   2.993
  141    HG   LEU  23           HG       LEU  23  -1.390   1.039   0.969
  142   HD11  LEU  23          1HD1      LEU  23  -2.546   2.012  -1.243
  143   HD12  LEU  23          2HD1      LEU  23  -4.007   1.621  -0.338
  144   HD13  LEU  23          3HD1      LEU  23  -2.793   0.369  -0.667
  145   HD21  LEU  23          3HD2      LEU  23  -1.038   3.292   0.076
  146   HD22  LEU  23          1HD2      LEU  23  -1.191   3.312   1.841
  147   HD23  LEU  23          2HD2      LEU  23  -2.560   3.824   0.825
  148    H    VAL  24           H        VAL  24  -3.083  -1.633   0.311
  149    HA   VAL  24           HA       VAL  24  -1.100  -3.023   2.078
  150    HB   VAL  24           HB       VAL  24  -2.549  -4.063  -0.396
  151   HG11  VAL  24          1HG1      VAL  24  -0.333  -5.126  -0.113
  152   HG12  VAL  24          2HG1      VAL  24  -0.727  -5.528   1.570
  153   HG13  VAL  24          3HG1      VAL  24  -1.636  -6.260   0.232
  154   HG21  VAL  24          3HG2      VAL  24  -4.122  -3.851   1.496
  155   HG22  VAL  24          1HG2      VAL  24  -3.764  -5.543   1.157
  156   HG23  VAL  24          2HG2      VAL  24  -3.002  -4.736   2.550
  157    H    GLU  25           H        GLU  25   0.914  -2.505   1.677
  158    HA   GLU  25           HA       GLU  25   1.705  -1.353  -0.964
  159    HB3  GLU  25           1HB      GLU  25   2.745  -0.958   1.867
  160    HG3  GLU  25           1HG      GLU  25   3.701   0.427  -0.662
  161    H    PHE  26           H        PHE  26   3.227  -2.327  -2.153
  162    HA   PHE  26           HA       PHE  26   4.808  -4.587  -1.014
  163    HB3  PHE  26           1HB      PHE  26   4.974  -5.484  -3.154
  164    HD1  PHE  26           HD1      PHE  26   2.951  -6.502  -1.667
  165    HD2  PHE  26           HD2      PHE  26   2.494  -3.596  -4.815
  166    HE1  PHE  26           HE1      PHE  26   0.508  -6.960  -1.744
  167    HE2  PHE  26           HE2      PHE  26   0.088  -4.138  -4.961
  168    HZ   PHE  26           HZ       PHE  26  -0.936  -5.755  -3.358
  169    H    GLY  27           H        GLY  27   6.949  -4.287  -0.670
  170    HA2  GLY  27           1HA      GLY  27   8.703  -2.725  -2.294
  171    HA3  GLY  27           2HA      GLY  27   8.213  -1.772  -0.921
  172    H    THR  28           H        THR  28  10.527  -1.798  -0.467
  173    HA   THR  28           HA       THR  28  11.204  -3.854   1.536
  174    HB   THR  28           HB       THR  28  13.521  -4.089   0.745
  175    HG1  THR  28           HG1      THR  28  13.911  -3.462  -1.469
  176   HG21  THR  28          3HG2      THR  28  11.578  -4.969  -1.421
  177   HG22  THR  28          1HG2      THR  28  11.875  -5.825   0.106
  178   HG23  THR  28          2HG2      THR  28  13.167  -5.646  -1.091
  179    H    ASP  29           H        ASP  29  13.341  -3.151   2.628
  180    HA   ASP  29           HA       ASP  29  12.945  -0.400   3.562
  181    HB3  ASP  29           1HB      ASP  29  14.976  -2.541   4.324
  182    H    TRP  30           H        TRP  30  14.603  -1.768   0.973
  183    HA   TRP  30           HA       TRP  30  16.899   0.139   1.081
  184    HB3  TRP  30           1HB      TRP  30  17.630  -1.975   1.815
  185    HD1  TRP  30           HD       TRP  30  16.254  -4.098   2.337
  186    HE1  TRP  30           HE1      TRP  30  15.504  -6.153   1.008
  187    HE3  TRP  30           HE3      TRP  30  17.368  -2.451  -2.383
  188    HZ2  TRP  30           HZ2      TRP  30  15.260  -6.922  -1.762
  189    HZ3  TRP  30           HZ3      TRP  30  16.886  -3.869  -4.342
  190    HH2  TRP  30           HH       TRP  30  15.831  -6.107  -4.062
  191    H    CYS  31           H        CYS  31  14.376  -1.016  -1.107
  192    HA   CYS  31           HA       CYS  31  15.750  -0.356  -3.540
  193    HB2  CYS  31           1HB      CYS  31  13.689  -1.672  -3.566
  194    HB3  CYS  31           2HB      CYS  31  12.777  -0.335  -2.879
  195    H    GLY  32           H        GLY  32  15.898   1.531  -4.711
  196    HA2  GLY  32           1HA      GLY  32  15.827   4.077  -3.319
  197    HA3  GLY  32           2HA      GLY  32  16.187   3.829  -5.034
  198    H    HIS  33           H        HIS  33  13.412   2.348  -5.260
  199    HA   HIS  33           HA       HIS  33  11.713   4.716  -5.675
  200    HB2  HIS  33           1HB      HIS  33  10.913   1.783  -5.369
  201    HB3  HIS  33           2HB      HIS  33   9.929   3.086  -6.003
  202    HD1  HIS  33           HD1      HIS  33  11.895   0.307  -7.195
  203    HD2  HIS  33           HD2      HIS  33  10.980   4.210  -8.448
  204    HE1  HIS  33           HE1      HIS  33  11.824   0.251  -9.760
  205    H    CYS  34           H        CYS  34  11.987   2.099  -3.242
  206    HA   CYS  34           HA       CYS  34   9.873   2.955  -1.531
  207    HB3  CYS  34           1HB      CYS  34  11.417   1.633   0.168
  208    HG   CYS  34           HG       CYS  34  10.175   0.458  -2.693
  209    H    GLN  35           H        GLN  35  13.318   3.953  -1.575
  210    HA   GLN  35           HA       GLN  35  13.166   5.309   0.934
  211    HB3  GLN  35           1HB      GLN  35  15.147   6.578   0.209
  212    HG3  GLN  35           1HG      GLN  35  16.714   4.897  -0.295
  213   HE21  GLN  35          2HE2      GLN  35  14.756   2.170  -0.073
  214   HE22  GLN  35          1HE2      GLN  35  14.978   1.934   1.662
  215    H    ALA  36           H        ALA  36  11.950   6.169  -2.158
  216    HA   ALA  36           HA       ALA  36  11.427   9.020  -1.441
  217    HB1  ALA  36           3HB      ALA  36  10.931   7.441  -4.009
  218    HB2  ALA  36           1HB      ALA  36  10.717   9.194  -3.786
  219    HB3  ALA  36           2HB      ALA  36  12.342   8.467  -3.680
  220    H    ALA  37           H        ALA  37   9.654   5.964  -2.072
  221    HA   ALA  37           HA       ALA  37   7.050   7.272  -1.879
  222    HB1  ALA  37           3HB      ALA  37   6.163   5.039  -2.222
  223    HB2  ALA  37           1HB      ALA  37   7.461   5.381  -3.379
  224    HB3  ALA  37           2HB      ALA  37   7.773   4.320  -1.989
  225    H    GLN  38           H        GLN  38   9.136   5.503   0.414
  226    HA   GLN  38           HA       GLN  38   7.139   4.954   2.380
  227    HB3  GLN  38           1HB      GLN  38   9.215   5.158   3.951
  228    HG3  GLN  38           1HG      GLN  38   9.181   3.178   1.630
  229   HE21  GLN  38          2HE2      GLN  38  11.649   3.605   1.825
  230   HE22  GLN  38          1HE2      GLN  38  12.493   2.627   3.039
  231    HA   PRO  39           HA       PRO  39   7.891   9.165   4.493
  232    HB3  PRO  39           1HB      PRO  39  10.028   9.995   4.201
  233    HG3  PRO  39           1HG      PRO  39  11.170   9.774   2.120
  234    HD3  PRO  39           1HD      PRO  39  10.533   7.603   2.807
  235    H    LEU  40           H        LEU  40   7.117   8.746   1.108
  236    HA   LEU  40           HA       LEU  40   5.389  11.050   0.803
  237    HB3  LEU  40           1HB      LEU  40   4.745   8.554  -0.727
  238    HG   LEU  40           HG       LEU  40   4.779   9.780  -2.632
  239   HD11  LEU  40          1HD1      LEU  40   3.308  11.527  -2.355
  240   HD12  LEU  40          2HD1      LEU  40   4.016  12.075  -0.810
  241   HD13  LEU  40          3HD1      LEU  40   3.034  10.601  -0.879
  242   HD21  LEU  40          3HD2      LEU  40   7.020  10.725  -2.462
  243   HD22  LEU  40          1HD2      LEU  40   6.453  11.936  -1.286
  244   HD23  LEU  40          2HD2      LEU  40   5.856  11.968  -2.959
  245    H    LEU  41           H        LEU  41   4.811   7.566   1.381
  246    HA   LEU  41           HA       LEU  41   2.022   7.762   1.892
  247    HB3  LEU  41           1HB      LEU  41   2.592   5.569   3.292
  248    HG   LEU  41           HG       LEU  41   2.434   4.130   1.470
  249   HD11  LEU  41          1HD1      LEU  41   0.572   4.924   0.167
  250   HD12  LEU  41          2HD1      LEU  41   0.881   6.600   0.630
  251   HD13  LEU  41          3HD1      LEU  41   0.428   5.427   1.875
  252   HD21  LEU  41          3HD2      LEU  41   4.253   4.830   0.105
  253   HD22  LEU  41          1HD2      LEU  41   3.495   6.378  -0.255
  254   HD23  LEU  41          2HD2      LEU  41   2.799   4.874  -0.891
  255    H    ALA  42           H        ALA  42   4.824   7.885   4.072
  256    HA   ALA  42           HA       ALA  42   3.410   8.116   6.533
  257    HB1  ALA  42           3HB      ALA  42   6.070   9.387   5.756
  258    HB2  ALA  42           1HB      ALA  42   5.499   9.045   7.395
  259    HB3  ALA  42           2HB      ALA  42   5.851   7.703   6.291
  260    H    GLU  43           H        GLU  43   4.223  10.708   4.192
  261    HA   GLU  43           HA       GLU  43   3.221  12.858   5.864
  262    HB3  GLU  43           1HB      GLU  43   3.200  14.084   3.594
  263    HG3  GLU  43           1HG      GLU  43   5.771  13.987   3.451
  264    H    VAL  44           H        VAL  44   1.772  11.084   3.050
  265    HA   VAL  44           HA       VAL  44  -0.721  12.482   3.271
  266    HB   VAL  44           HB       VAL  44  -0.306  11.487   1.235
  267   HG11  VAL  44          1HG1      VAL  44  -0.141   9.213   0.697
  268   HG12  VAL  44          2HG1      VAL  44   1.103   9.620   1.847
  269   HG13  VAL  44          3HG1      VAL  44  -0.310   8.698   2.401
  270   HG21  VAL  44          3HG2      VAL  44  -2.318  10.234   0.780
  271   HG22  VAL  44          1HG2      VAL  44  -2.482   9.784   2.497
  272   HG23  VAL  44          2HG2      VAL  44  -2.693  11.467   2.003
  273    H    PHE  45           H        PHE  45   0.176   9.270   4.607
  274    HA   PHE  45           HA       PHE  45  -2.301   8.605   5.785
  275    HB3  PHE  45           1HB      PHE  45  -0.522   7.503   7.575
  276    HD1  PHE  45           HD2      PHE  45  -2.811   6.349   7.187
  277    HD2  PHE  45           HD1      PHE  45   0.562   5.995   4.494
  278    HE1  PHE  45           HE2      PHE  45  -3.609   4.143   6.416
  279    HE2  PHE  45           HE1      PHE  45  -0.232   3.789   3.803
  280    HZ   PHE  45           HZ       PHE  45  -2.336   2.857   4.744
  281    H    SER  46           H        SER  46   0.047  10.933   6.992
  282    HA   SER  46           HA       SER  46  -0.837  11.045   9.729
  283    HB3  SER  46           1HB      SER  46   0.183  13.314   9.707
  284    HG   SER  46           HG       SER  46   1.875  11.416   8.406
  285    H    ASP  47           H        ASP  47  -2.418  12.200   6.813
  286    HA   ASP  47           HA       ASP  47  -4.348  13.800   8.426
  287    HB3  ASP  47           1HB      ASP  47  -4.236  13.502   5.418
  288    H    TYR  48           H        TYR  48  -3.982  10.641   7.352
  289    HA   TYR  48           HA       TYR  48  -6.918  10.096   7.543
  290    HB3  TYR  48           1HB      TYR  48  -6.856   8.539   5.722
  291    HD1  TYR  48           HD1      TYR  48  -8.362  10.538   5.162
  292    HD2  TYR  48           HD2      TYR  48  -4.175  10.431   4.211
  293    HE1  TYR  48           HE1      TYR  48  -8.686  12.413   3.566
  294    HE2  TYR  48           HE2      TYR  48  -4.453  12.430   2.762
  295    HH   TYR  48           HH       TYR  48  -5.909  13.942   1.857
  296    HA   PRO  49           HA       PRO  49  -4.044   7.342  10.168
  297    HB3  PRO  49           1HB      PRO  49  -3.632   8.866  11.834
  298    HG3  PRO  49           1HG      PRO  49  -5.198  10.609  12.320
  299    HD3  PRO  49           1HD      PRO  49  -4.654  10.732  10.023
  300    H    GLU  50           H        GLU  50  -7.540   7.732   9.913
  301    HA   GLU  50           HA       GLU  50  -8.197   5.280  11.329
  302    HB3  GLU  50           1HB      GLU  50  -9.823   7.046  11.189
  303    HG3  GLU  50           1HG      GLU  50 -11.157   6.960   8.960
  304    H    VAL  51           H        VAL  51  -6.743   5.810   8.266
  305    HA   VAL  51           HA       VAL  51  -7.689   3.245   7.102
  306    HB   VAL  51           HB       VAL  51  -5.596   5.205   6.063
  307   HG11  VAL  51          1HG1      VAL  51  -5.919   4.010   3.891
  308   HG12  VAL  51          2HG1      VAL  51  -5.231   2.960   5.119
  309   HG13  VAL  51          3HG1      VAL  51  -6.956   2.821   4.703
  310   HG21  VAL  51          3HG2      VAL  51  -8.518   4.811   5.259
  311   HG22  VAL  51          1HG2      VAL  51  -7.828   6.228   6.080
  312   HG23  VAL  51          2HG2      VAL  51  -7.339   5.859   4.429
  313    H    GLY  52           H        GLY  52  -6.470   1.369   7.106
  314    HA2  GLY  52           1HA      GLY  52  -4.083   1.211   8.901
  315    HA3  GLY  52           2HA      GLY  52  -5.008  -0.137   8.215
  316    H    HIS  53           H        HIS  53  -2.115   0.117   8.186
  317    HA   HIS  53           HA       HIS  53  -1.722   0.046   5.226
  318    HB2  HIS  53           1HB      HIS  53  -0.657   2.073   6.535
  319    HB3  HIS  53           2HB      HIS  53   0.510   0.886   7.092
  320    HD1  HIS  53           HD1      HIS  53   2.379   2.293   5.627
  321    HD2  HIS  53           HD2      HIS  53  -0.746   0.541   3.437
  322    HE1  HIS  53           HE1      HIS  53   2.990   2.457   3.122
  323    H    LEU  54           H        LEU  54  -0.947  -1.868   4.495
  324    HA   LEU  54           HA       LEU  54   0.461  -3.716   6.377
  325    HB3  LEU  54           1HB      LEU  54  -0.850  -4.565   3.792
  326    HG   LEU  54           HG       LEU  54  -0.724  -5.975   6.493
  327   HD11  LEU  54          1HD1      LEU  54  -2.559  -6.600   4.936
  328   HD12  LEU  54          2HD1      LEU  54  -1.427  -7.929   5.203
  329   HD13  LEU  54          3HD1      LEU  54  -1.352  -6.992   3.683
  330   HD21  LEU  54          3HD2      LEU  54   1.142  -6.365   4.124
  331   HD22  LEU  54          1HD2      LEU  54   0.966  -7.512   5.462
  332   HD23  LEU  54          2HD2      LEU  54   1.588  -5.889   5.778
  333    H    LYS  55           H        LYS  55   2.553  -3.212   6.164
  334    HA   LYS  55           HA       LYS  55   3.845  -2.623   3.584
  335    HB3  LYS  55           1HB      LYS  55   5.878  -2.882   5.262
  336    HG3  LYS  55           1HG      LYS  55   3.951  -0.599   5.114
  337    HD3  LYS  55           1HD      LYS  55   5.712   0.819   6.089
  338    HE3  LYS  55           1HE      LYS  55   4.910  -1.373   8.064
  339    HZ1  LYS  55           3HZ      LYS  55   5.370   1.514   8.564
  340    HZ2  LYS  55           1HZ      LYS  55   6.476   0.364   8.860
  341    HZ3  LYS  55           2HZ      LYS  55   5.083   0.332   9.683
  342    H    VAL  56           H        VAL  56   3.634  -4.436   2.260
  343    HA   VAL  56           HA       VAL  56   4.605  -7.100   3.165
  344    HB   VAL  56           HB       VAL  56   3.818  -6.168   0.364
  345   HG11  VAL  56          1HG1      VAL  56   4.140  -8.968   1.540
  346   HG12  VAL  56          2HG1      VAL  56   3.530  -8.605  -0.085
  347   HG13  VAL  56          3HG1      VAL  56   5.197  -8.200   0.329
  348   HG21  VAL  56          3HG2      VAL  56   1.668  -7.223   0.666
  349   HG22  VAL  56          1HG2      VAL  56   2.044  -7.623   2.357
  350   HG23  VAL  56          2HG2      VAL  56   1.862  -5.924   1.834
  351    H    GLU  57           H        GLU  57   6.607  -7.628   3.228
  352    HA   GLU  57           HA       GLU  57   8.619  -6.174   1.677
  353    HB3  GLU  57           1HB      GLU  57   9.269  -8.734   3.097
  354    HG3  GLU  57           1HG      GLU  57  10.534  -5.992   2.850
  355    H    ASP  58           H        ASP  58   8.960  -6.575  -0.397
  356    HA   ASP  58           HA       ASP  58   8.107  -9.188  -1.574
  357    HB3  ASP  58           1HB      ASP  58   8.310  -6.504  -2.970
  358    H    GLY  59           H        GLY  59   9.514 -10.379  -2.789
  359    HA2  GLY  59           1HA      GLY  59  12.332  -9.390  -3.160
  360    HA3  GLY  59           2HA      GLY  59  11.932 -10.995  -2.525
  361    HA   PRO  60           HA       PRO  60  12.584 -11.299  -7.127
  362    HB3  PRO  60           1HB      PRO  60  14.468 -12.677  -7.507
  363    HG3  PRO  60           1HG      PRO  60  15.258 -10.994  -5.995
  364    HD3  PRO  60           1HD      PRO  60  14.214 -10.632  -3.918
  365    H    GLY  61           H        GLY  61  11.247 -12.459  -8.456
  366    HA2  GLY  61           1HA      GLY  61   9.610 -13.958  -9.152
  367    HA3  GLY  61           2HA      GLY  61   9.848 -14.909  -7.659
  368    H    ARG  62           H        ARG  62   9.464 -12.165  -6.257
  369    HA   ARG  62           HA       ARG  62   7.982 -10.879  -5.260
  370    HB3  ARG  62           1HB      ARG  62   5.833 -10.297  -6.270
  371    HG3  ARG  62           1HG      ARG  62   7.868 -10.575  -8.516
  372    HD3  ARG  62           1HD      ARG  62   5.811  -8.446  -7.805
  373    HE   ARG  62           HE       ARG  62   8.012  -8.471  -9.725
  374   HH11  ARG  62          1HH1      ARG  62   4.770  -7.066  -9.221
  375   HH12  ARG  62          2HH1      ARG  62   5.198  -5.661 -10.182
  376   HH21  ARG  62          1HH2      ARG  62   8.355  -6.636 -10.989
  377   HH22  ARG  62          2HH2      ARG  62   7.090  -5.436 -11.113
  378    H    ARG  63           H        ARG  63   6.293 -10.774  -3.817
  379    HA   ARG  63           HA       ARG  63   5.137 -13.383  -2.896
  380    HB3  ARG  63           1HB      ARG  63   5.425 -10.813  -1.272
  381    HG3  ARG  63           1HG      ARG  63   5.014 -13.744  -0.492
  382    HD3  ARG  63           1HD      ARG  63   4.989 -11.252   1.259
  383    HE   ARG  63           HE       ARG  63   3.740 -12.769   2.512
  384   HH11  ARG  63          1HH1      ARG  63   6.596 -14.513   1.339
  385   HH12  ARG  63          2HH1      ARG  63   6.312 -15.855   2.407
  386   HH21  ARG  63          1HH2      ARG  63   3.473 -14.456   3.860
  387   HH22  ARG  63          2HH2      ARG  63   4.543 -15.842   3.810
  388    H    LEU  64           H        LEU  64   3.546 -10.578  -1.725
  389    HA   LEU  64           HA       LEU  64   1.051 -11.543  -2.753
  390    HB3  LEU  64           1HB      LEU  64   1.630  -8.946  -1.291
  391    HG   LEU  64           HG       LEU  64  -0.708  -9.181  -1.913
  392   HD11  LEU  64          1HD1      LEU  64  -2.099 -11.031  -0.939
  393   HD12  LEU  64          2HD1      LEU  64  -0.595 -11.893  -0.544
  394   HD13  LEU  64          3HD1      LEU  64  -1.041 -11.560  -2.236
  395   HD21  LEU  64          3HD2      LEU  64  -1.679  -9.148   0.408
  396   HD22  LEU  64          1HD2      LEU  64  -0.216  -8.189   0.262
  397   HD23  LEU  64          2HD2      LEU  64  -0.144  -9.788   1.025
  398    H    GLY  65           H        GLY  65   3.098  -8.859  -3.876
  399    HA2  GLY  65           1HA      GLY  65   1.148  -7.495  -5.431
  400    HA3  GLY  65           2HA      GLY  65   2.908  -7.442  -5.692
  401    H    ARG  66           H        ARG  66   2.832 -10.468  -6.216
  402    HA   ARG  66           HA       ARG  66   2.186 -10.447  -9.060
  403    HB3  ARG  66           1HB      ARG  66   2.941 -12.682  -7.129
  404    HG3  ARG  66           1HG      ARG  66   2.960 -12.622 -10.183
  405    HD3  ARG  66           1HD      ARG  66   4.151 -14.606  -8.193
  406    HE   ARG  66           HE       ARG  66   3.254 -15.208 -10.752
  407   HH11  ARG  66          1HH1      ARG  66   6.427 -15.218  -9.184
  408   HH12  ARG  66          2HH1      ARG  66   7.017 -16.516 -10.186
  409   HH21  ARG  66          1HH2      ARG  66   4.069 -16.896 -11.991
  410   HH22  ARG  66          2HH2      ARG  66   5.699 -17.450 -11.753
  411    H    SER  67           H        SER  67   0.566 -11.644  -6.100
  412    HA   SER  67           HA       SER  67  -1.638 -12.925  -7.504
  413    HB3  SER  67           1HB      SER  67  -2.620 -13.106  -5.297
  414    HG   SER  67           HG       SER  67  -0.914 -14.204  -4.245
  415    H    PHE  68           H        PHE  68  -0.946  -9.639  -6.377
  416    HA   PHE  68           HA       PHE  68  -3.584  -8.599  -7.156
  417    HB3  PHE  68           1HB      PHE  68  -2.225  -6.374  -6.826
  418    HD1  PHE  68           HD2      PHE  68  -4.435  -6.088  -5.867
  419    HD2  PHE  68           HD1      PHE  68  -1.397  -8.404  -3.934
  420    HE1  PHE  68           HE2      PHE  68  -5.756  -6.027  -3.743
  421    HE2  PHE  68           HE1      PHE  68  -2.675  -8.331  -1.778
  422    HZ   PHE  68           HZ       PHE  68  -4.879  -7.130  -1.728
  423    H    GLN  69           H        GLN  69  -0.905  -9.597  -8.946
  424    HA   GLN  69           HA       GLN  69  -0.269  -9.388 -11.110
  425    HB3  GLN  69           1HB      GLN  69  -1.885  -8.920 -12.800
  426    HG3  GLN  69           1HG      GLN  69  -2.473 -10.843 -10.817
  427   HE21  GLN  69          2HE2      GLN  69  -3.968 -10.303  -9.068
  428   HE22  GLN  69          1HE2      GLN  69  -5.609  -9.809  -9.399
  429    H    VAL  70           H        VAL  70   0.671  -7.384  -9.384
  430    HA   VAL  70           HA       VAL  70   0.192  -4.711 -10.173
  431    HB   VAL  70           HB       VAL  70   2.479  -6.053  -8.710
  432   HG11  VAL  70          1HG1      VAL  70   3.511  -4.068  -9.660
  433   HG12  VAL  70          2HG1      VAL  70   2.131  -3.062  -9.182
  434   HG13  VAL  70          3HG1      VAL  70   3.205  -3.796  -7.954
  435   HG21  VAL  70          3HG2      VAL  70   0.207  -5.912  -7.636
  436   HG22  VAL  70          1HG2      VAL  70   1.462  -5.009  -6.768
  437   HG23  VAL  70          2HG2      VAL  70   0.274  -4.155  -7.777
  438    H    LYS  71           H        LYS  71   0.907  -3.389 -11.691
  439    HA   LYS  71           HA       LYS  71   2.200  -4.489 -14.012
  440    HB3  LYS  71           1HB      LYS  71   1.958  -1.585 -14.064
  441    HG3  LYS  71           1HG      LYS  71   1.605  -3.408 -15.954
  442    HD3  LYS  71           1HD      LYS  71  -0.792  -3.749 -16.487
  443    HE3  LYS  71           1HE      LYS  71  -0.092  -4.799 -13.709
  444    HZ1  LYS  71           3HZ      LYS  71  -2.462  -5.021 -14.316
  445    HZ2  LYS  71           1HZ      LYS  71  -1.697  -6.457 -14.133
  446    HZ3  LYS  71           2HZ      LYS  71  -2.044  -5.901 -15.639
  447    H    LEU  72           H        LEU  72   3.305  -1.998 -11.730
  448    HA   LEU  72           HA       LEU  72   6.054  -2.088 -12.903
  449    HB3  LEU  72           1HB      LEU  72   4.937  -0.124 -10.852
  450    HG   LEU  72           HG       LEU  72   7.474  -0.050 -11.271
  451   HD11  LEU  72          1HD1      LEU  72   8.212   0.978 -13.414
  452   HD12  LEU  72          2HD1      LEU  72   6.570   0.788 -14.059
  453   HD13  LEU  72          3HD1      LEU  72   7.548  -0.643 -13.653
  454   HD21  LEU  72          3HD2      LEU  72   7.528   2.382 -11.528
  455   HD22  LEU  72          1HD2      LEU  72   6.169   1.912 -10.490
  456   HD23  LEU  72          2HD2      LEU  72   5.869   2.373 -12.180
  457    H    TRP  73           H        TRP  73   6.699  -1.083  -9.915
  458    HA   TRP  73           HA       TRP  73   6.210  -3.587  -8.445
  459    HB3  TRP  73           1HB      TRP  73   8.922  -2.274  -8.569
  460    HD1  TRP  73           HD       TRP  73   7.824  -5.878  -7.751
  461    HE1  TRP  73           HE1      TRP  73   8.728  -6.541  -5.463
  462    HE3  TRP  73           HE3      TRP  73   9.797  -1.372  -6.376
  463    HZ2  TRP  73           HZ2      TRP  73  10.432  -5.337  -3.424
  464    HZ3  TRP  73           HZ3      TRP  73  10.986  -1.140  -4.214
  465    HH2  TRP  73           HH       TRP  73  11.375  -3.111  -2.776
  466    HA   PRO  74           HA       PRO  74   6.660  -0.178  -5.225
  467    HB3  PRO  74           1HB      PRO  74   8.342   1.345  -5.640
  468    HG3  PRO  74           1HG      PRO  74   8.711   2.193  -7.867
  469    HD3  PRO  74           1HD      PRO  74   8.821  -0.155  -8.053
  470    H    THR  75           H        THR  75   4.536  -0.646  -4.964
  471    HA   THR  75           HA       THR  75   2.385   1.025  -6.117
  472    HB   THR  75           HB       THR  75   2.776  -1.941  -6.663
  473    HG1  THR  75           HG1      THR  75   3.522   0.139  -7.945
  474   HG21  THR  75          3HG2      THR  75   0.412  -1.710  -6.233
  475   HG22  THR  75          1HG2      THR  75   0.626  -1.728  -7.992
  476   HG23  THR  75          2HG2      THR  75   0.333  -0.185  -7.161
  477    H    PHE  76           H        PHE  76   0.577   1.000  -4.938
  478    HA   PHE  76           HA       PHE  76   0.307  -0.934  -2.736
  479    HB3  PHE  76           1HB      PHE  76   1.159   0.701  -1.364
  480    HD1  PHE  76           HD1      PHE  76   2.927   1.792  -2.719
  481    HD2  PHE  76           HD2      PHE  76  -1.088   3.322  -2.356
  482    HE1  PHE  76           HE1      PHE  76   3.695   3.986  -3.618
  483    HE2  PHE  76           HE2      PHE  76  -0.304   5.523  -3.141
  484    HZ   PHE  76           HZ       PHE  76   2.054   5.832  -3.870
  485    H    VAL  77           H        VAL  77  -1.623  -1.674  -2.465
  486    HA   VAL  77           HA       VAL  77  -3.810  -0.755  -4.278
  487    HB   VAL  77           HB       VAL  77  -3.417  -3.503  -3.031
  488   HG11  VAL  77          1HG1      VAL  77  -5.276  -2.471  -5.235
  489   HG12  VAL  77          2HG1      VAL  77  -5.147  -4.143  -4.735
  490   HG13  VAL  77          3HG1      VAL  77  -5.779  -2.926  -3.622
  491   HG21  VAL  77          3HG2      VAL  77  -2.681  -4.240  -5.245
  492   HG22  VAL  77          1HG2      VAL  77  -2.874  -2.598  -5.904
  493   HG23  VAL  77          2HG2      VAL  77  -1.629  -2.931  -4.697
  494    H    PHE  78           H        PHE  78  -5.570   0.079  -3.439
  495    HA   PHE  78           HA       PHE  78  -5.905   0.251  -0.490
  496    HB3  PHE  78           1HB      PHE  78  -7.732   1.850  -1.073
  497    HD1  PHE  78           HD2      PHE  78  -4.989   2.246  -3.603
  498    HD2  PHE  78           HD1      PHE  78  -6.528   3.516   0.221
  499    HE1  PHE  78           HE2      PHE  78  -3.211   3.948  -3.451
  500    HE2  PHE  78           HE1      PHE  78  -4.774   5.284   0.314
  501    HZ   PHE  78           HZ       PHE  78  -3.137   5.493  -1.553
  502    H    LEU  79           H        LEU  79  -7.062  -1.220   0.543
  503    HA   LEU  79           HA       LEU  79  -9.197  -2.715  -0.869
  504    HB3  LEU  79           1HB      LEU  79  -8.901  -4.266   1.208
  505    HG   LEU  79           HG       LEU  79  -8.384  -5.002  -1.055
  506   HD11  LEU  79          1HD1      LEU  79  -5.649  -3.780  -0.528
  507   HD12  LEU  79          2HD1      LEU  79  -6.816  -3.398  -1.820
  508   HD13  LEU  79          3HD1      LEU  79  -5.989  -4.950  -1.818
  509   HD21  LEU  79          3HD2      LEU  79  -6.884  -6.794  -0.407
  510   HD22  LEU  79          1HD2      LEU  79  -7.983  -6.418   0.924
  511   HD23  LEU  79          2HD2      LEU  79  -6.295  -5.848   0.984
  512    H    ARG  80           H        ARG  80 -11.058  -3.154   0.241
  513    HA   ARG  80           HA       ARG  80 -11.796  -2.091   2.834
  514    HB3  ARG  80           1HB      ARG  80 -13.105  -0.896   0.372
  515    HG3  ARG  80           1HG      ARG  80 -13.388  -0.094   3.288
  516    HD3  ARG  80           1HD      ARG  80 -15.478   1.058   2.099
  517    HE   ARG  80           HE       ARG  80 -12.960   2.493   1.453
  518   HH11  ARG  80          1HH1      ARG  80 -15.465   1.972   3.906
  519   HH12  ARG  80          2HH1      ARG  80 -15.151   3.505   4.671
  520   HH21  ARG  80          1HH2      ARG  80 -12.658   4.443   2.450
  521   HH22  ARG  80          2HH2      ARG  80 -13.542   4.864   3.895
  522    H    ASP  81           H        ASP  81 -13.429  -3.375   3.622
  523    HA   ASP  81           HA       ASP  81 -14.803  -5.157   3.818
  524    HB3  ASP  81           1HB      ASP  81 -15.711  -4.678   0.960
  525    H    GLY  82           H        GLY  82 -12.058  -5.469   2.697
  526    HA2  GLY  82           1HA      GLY  82 -10.677  -7.302   2.355
  527    HA3  GLY  82           2HA      GLY  82 -12.096  -8.330   2.083
  528    H    ARG  83           H        ARG  83 -12.709  -5.912  -0.006
  529    HA   ARG  83           HA       ARG  83 -11.398  -7.236  -2.291
  530    HB3  ARG  83           1HB      ARG  83 -13.550  -5.119  -2.502
  531    HG3  ARG  83           1HG      ARG  83 -13.388  -7.760  -3.982
  532    HD3  ARG  83           1HD      ARG  83 -15.349  -6.118  -4.250
  533    HE   ARG  83           HE       ARG  83 -13.146  -4.376  -5.020
  534   HH11  ARG  83          1HH1      ARG  83 -16.571  -4.889  -5.776
  535   HH12  ARG  83          2HH1      ARG  83 -16.754  -3.260  -6.359
  536   HH21  ARG  83          1HH2      ARG  83 -13.408  -2.414  -5.737
  537   HH22  ARG  83          2HH2      ARG  83 -14.949  -1.837  -6.342
  538    H    GLU  84           H        GLU  84 -10.346  -5.966  -3.830
  539    HA   GLU  84           HA       GLU  84  -9.028  -3.480  -3.075
  540    HB3  GLU  84           1HB      GLU  84  -9.292  -5.007  -5.677
  541    HG3  GLU  84           1HG      GLU  84  -7.758  -2.441  -5.170
  542    H    VAL  85           H        VAL  85  -9.790  -1.485  -3.169
  543    HA   VAL  85           HA       VAL  85 -12.231  -0.861  -4.797
  544    HB   VAL  85           HB       VAL  85 -12.292   1.277  -3.479
  545   HG11  VAL  85          1HG1      VAL  85 -13.421   0.235  -1.593
  546   HG12  VAL  85          2HG1      VAL  85 -13.777  -0.657  -3.078
  547   HG13  VAL  85          3HG1      VAL  85 -12.603  -1.309  -1.905
  548   HG21  VAL  85          3HG2      VAL  85  -9.910   1.158  -2.546
  549   HG22  VAL  85          1HG2      VAL  85 -11.184   1.464  -1.338
  550   HG23  VAL  85          2HG2      VAL  85 -10.474  -0.151  -1.488
  551    H    ALA  86           H        ALA  86  -8.806  -0.233  -4.495
  552    HA   ALA  86           HA       ALA  86  -8.616   0.968  -7.107
  553    HB1  ALA  86           3HB      ALA  86  -7.774   3.200  -6.328
  554    HB2  ALA  86           1HB      ALA  86  -9.457   2.952  -5.859
  555    HB3  ALA  86           2HB      ALA  86  -8.141   2.726  -4.655
  556    H    ARG  87           H        ARG  87  -6.260   1.970  -7.283
  557    HA   ARG  87           HA       ARG  87  -4.383   1.218  -5.241
  558    HB3  ARG  87           1HB      ARG  87  -4.494  -0.918  -6.398
  559    HG3  ARG  87           1HG      ARG  87  -3.461   0.607  -8.832
  560    HD3  ARG  87           1HD      ARG  87  -2.360  -1.554  -8.142
  561    HE   ARG  87           HE       ARG  87  -5.031  -2.579  -8.159
  562   HH11  ARG  87          1HH1      ARG  87  -1.905  -3.554  -9.570
  563   HH12  ARG  87          2HH1      ARG  87  -2.357  -5.243  -9.527
  564   HH21  ARG  87          1HH2      ARG  87  -5.446  -4.752  -8.081
  565   HH22  ARG  87          2HH2      ARG  87  -4.279  -5.890  -8.752
  566    H    VAL  88           H        VAL  88  -2.336   2.143  -5.539
  567    HA   VAL  88           HA       VAL  88  -2.135   4.245  -7.715
  568    HB   VAL  88           HB       VAL  88  -1.306   4.376  -4.830
  569   HG11  VAL  88          1HG1      VAL  88  -0.301   6.637  -5.344
  570   HG12  VAL  88          2HG1      VAL  88   0.577   5.329  -6.140
  571   HG13  VAL  88          3HG1      VAL  88  -0.567   6.332  -7.066
  572   HG21  VAL  88          3HG2      VAL  88  -2.988   6.385  -6.346
  573   HG22  VAL  88          1HG2      VAL  88  -3.652   5.079  -5.362
  574   HG23  VAL  88          2HG2      VAL  88  -2.653   6.316  -4.588
  575    H    VAL  89           H        VAL  89  -0.500   3.960  -9.002
  576    HA   VAL  89           HA       VAL  89   1.823   2.203  -8.281
  577    HB   VAL  89           HB       VAL  89   0.627   2.864 -11.018
  578   HG11  VAL  89          1HG1      VAL  89   3.027   1.140 -10.286
  579   HG12  VAL  89          2HG1      VAL  89   2.260   1.167 -11.891
  580   HG13  VAL  89          3HG1      VAL  89   3.036   2.625 -11.268
  581   HG21  VAL  89          3HG2      VAL  89   0.672   0.199  -9.554
  582   HG22  VAL  89          1HG2      VAL  89  -0.753   1.228  -9.788
  583   HG23  VAL  89          2HG2      VAL  89   0.046   0.492 -11.192
  584    H    ARG  90           H        ARG  90   3.779   3.199  -8.248
  585    HA   ARG  90           HA       ARG  90   5.424   4.738  -8.417
  586    HB3  ARG  90           1HB      ARG  90   4.140   5.535 -11.036
  587    HG3  ARG  90           1HG      ARG  90   7.064   5.270 -10.178
  588    HD3  ARG  90           1HD      ARG  90   5.729   6.398 -12.670
  589    HE   ARG  90           HE       ARG  90   8.441   6.737 -11.641
  590   HH11  ARG  90          1HH1      ARG  90   6.542   6.666 -14.638
  591   HH12  ARG  90          2HH1      ARG  90   7.671   7.679 -15.485
  592   HH21  ARG  90          1HH2      ARG  90   9.874   8.018 -12.817
  593   HH22  ARG  90          2HH2      ARG  90   9.547   8.391 -14.486
  594    HA   PRO  91           HA       PRO  91   2.710   8.288  -6.819
  595    HB3  PRO  91           1HB      PRO  91   2.844   7.669  -4.676
  596    HG3  PRO  91           1HG      PRO  91   4.590   6.244  -3.890
  597    HD3  PRO  91           1HD      PRO  91   3.770   5.150  -5.845
  598    H    GLY  92           H        GLY  92   3.069  10.173  -7.845
  599    HA2  GLY  92           1HA      GLY  92   5.780  11.019  -8.657
  600    HA3  GLY  92           2HA      GLY  92   4.235  11.788  -9.087
  601    H    SER  93           H        SER  93   3.348  12.077  -6.319
  602    HA   SER  93           HA       SER  93   5.106  13.543  -4.653
  603    HB3  SER  93           1HB      SER  93   3.213  15.340  -6.210
  604    HG   SER  93           HG       SER  93   4.508  16.953  -5.124
  605    H    ALA  94           H        ALA  94   3.814  14.652  -2.875
  606    HA   ALA  94           HA       ALA  94   1.758  12.976  -1.843
  607    HB1  ALA  94           3HB      ALA  94   1.523  14.731  -0.148
  608    HB2  ALA  94           1HB      ALA  94   3.232  14.427  -0.475
  609    HB3  ALA  94           2HB      ALA  94   2.440  15.870  -1.169
  610    H    SER  95           H        SER  95   1.478  15.869  -3.939
  611    HA   SER  95           HA       SER  95  -1.341  16.227  -3.679
  612    HB3  SER  95           1HB      SER  95   0.067  17.887  -4.745
  613    HG   SER  95           HG       SER  95   0.998  17.428  -6.820
  614    H    VAL  96           H        VAL  96   0.437  13.735  -5.428
  615    HA   VAL  96           HA       VAL  96  -1.954  12.816  -6.921
  616    HB   VAL  96           HB       VAL  96   0.845  11.612  -6.729
  617   HG11  VAL  96          1HG1      VAL  96   0.211  10.387  -8.794
  618   HG12  VAL  96          2HG1      VAL  96  -0.756   9.919  -7.393
  619   HG13  VAL  96          3HG1      VAL  96  -1.447  11.009  -8.621
  620   HG21  VAL  96          3HG2      VAL  96   1.204  12.542  -8.995
  621   HG22  VAL  96          1HG2      VAL  96  -0.349  13.400  -8.892
  622   HG23  VAL  96          2HG2      VAL  96   0.983  13.814  -7.795
  623    H    LEU  97           H        LEU  97   0.154  11.772  -4.207
  624    HA   LEU  97           HA       LEU  97  -1.285   9.309  -3.786
  625    HB3  LEU  97           1HB      LEU  97   0.171  10.337  -1.450
  626    HG   LEU  97           HG       LEU  97   0.763   8.094  -3.468
  627   HD11  LEU  97          1HD1      LEU  97   1.905   8.496  -0.679
  628   HD12  LEU  97          2HD1      LEU  97   2.768   8.697  -2.231
  629   HD13  LEU  97          3HD1      LEU  97   2.172   7.116  -1.770
  630   HD21  LEU  97          3HD2      LEU  97  -0.137   6.733  -1.392
  631   HD22  LEU  97          1HD2      LEU  97  -1.292   7.492  -2.508
  632   HD23  LEU  97          2HD2      LEU  97  -0.911   8.256  -0.966
  633    H    GLU  98           H        GLU  98  -1.372  12.428  -1.985
  634    HA   GLU  98           HA       GLU  98  -3.464  11.801  -0.196
  635    HB3  GLU  98           1HB      GLU  98  -3.930  14.265  -0.227
  636    HG3  GLU  98           1HG      GLU  98  -0.950  13.620  -0.047
  637    H    GLU  99           H        GLU  99  -3.734  13.033  -3.573
  638    HA   GLU  99           HA       GLU  99  -6.521  13.397  -3.676
  639    HB3  GLU  99           1HB      GLU  99  -4.462  12.616  -5.757
  640    HG3  GLU  99           1HG      GLU  99  -7.403  13.178  -6.179
  641    H    ALA 100           H        ALA 100  -4.645  10.380  -4.166
  642    HA   ALA 100           HA       ALA 100  -7.049   8.814  -4.719
  643    HB1  ALA 100           3HB      ALA 100  -4.836   8.215  -5.612
  644    HB2  ALA 100           1HB      ALA 100  -4.220   7.986  -3.959
  645    HB3  ALA 100           2HB      ALA 100  -5.489   6.905  -4.591
  646    H    PHE 101           H        PHE 101  -5.151   9.603  -1.778
  647    HA   PHE 101           HA       PHE 101  -6.323   7.567  -0.105
  648    HB3  PHE 101           1HB      PHE 101  -5.734   9.559   1.621
  649    HD1  PHE 101           HD1      PHE 101  -3.225   7.857  -0.736
  650    HD2  PHE 101           HD2      PHE 101  -5.021   8.036   3.211
  651    HE1  PHE 101           HE1      PHE 101  -1.637   6.192   0.097
  652    HE2  PHE 101           HE2      PHE 101  -3.388   6.342   3.999
  653    HZ   PHE 101           HZ       PHE 101  -1.674   5.440   2.398
  654    H    GLU 102           H        GLU 102  -7.141  11.049  -0.561
  655    HA   GLU 102           HA       GLU 102  -9.440  10.965   1.135
  656    HB3  GLU 102           1HB      GLU 102  -8.724  13.097   0.723
  657    HG3  GLU 102           1HG      GLU 102  -8.435  12.390  -2.124
  658    H    SER 103           H        SER 103  -9.038  10.174  -2.293
  659    HA   SER 103           HA       SER 103 -11.825   9.926  -2.926
  660    HB3  SER 103           1HB      SER 103 -10.869   8.567  -4.854
  661    HG   SER 103           HG       SER 103  -9.347  10.910  -4.639
  662    H    LEU 104           H        LEU 104  -9.570   7.667  -1.354
  663    HA   LEU 104           HA       LEU 104 -11.626   5.490  -1.474
  664    HB3  LEU 104           1HB      LEU 104  -9.662   4.113  -0.617
  665    HG   LEU 104           HG       LEU 104  -8.793   3.568  -2.648
  666   HD11  LEU 104          1HD1      LEU 104 -11.359   4.863  -3.604
  667   HD12  LEU 104          2HD1      LEU 104 -11.361   3.466  -2.511
  668   HD13  LEU 104          3HD1      LEU 104 -10.651   3.326  -4.106
  669   HD21  LEU 104          3HD2      LEU 104  -8.785   5.006  -4.706
  670   HD22  LEU 104          1HD2      LEU 104  -7.728   5.557  -3.415
  671   HD23  LEU 104          2HD2      LEU 104  -9.302   6.361  -3.720
  672    H    VAL 105           H        VAL 105 -10.144   7.676   0.816
  673    HA   VAL 105           HA       VAL 105 -11.188   6.264   3.109
  674    HB   VAL 105           HB       VAL 105  -9.337   8.154   2.930
  675   HG11  VAL 105          1HG1      VAL 105 -10.977   9.930   2.199
  676   HG12  VAL 105          2HG1      VAL 105 -11.712   9.840   3.808
  677   HG13  VAL 105          3HG1      VAL 105 -10.037  10.358   3.633
  678   HG21  VAL 105          3HG2      VAL 105  -9.960   6.824   4.925
  679   HG22  VAL 105          1HG2      VAL 105  -9.407   8.474   5.257
  680   HG23  VAL 105          2HG2      VAL 105 -11.145   8.070   5.346
  681    H    GLY 106           H        GLY 106 -12.545   8.434   0.745
  682    HA2  GLY 106           1HA      GLY 106 -14.852   8.623   0.320
  683    HA3  GLY 106           2HA      GLY 106 -15.231   8.352   2.044
  684    H    GLU 107           H        GLU 107 -12.666  10.610   1.422
  685    HA   GLU 107           HA       GLU 107 -14.392  12.904   2.216
  686    HB3  GLU 107           1HB      GLU 107 -12.008  13.948   2.463
  687    HG3  GLU 107           1HG      GLU 107 -11.585  12.727   4.643
  688    H    GLY 108           H        GLY 108 -12.853  11.611  -0.615
  689    HA2  GLY 108           1HA      GLY 108 -12.205  14.050  -1.948
  690    HA3  GLY 108           2HA      GLY 108 -12.394  12.467  -2.718
  Start of MODEL    3
    1    H1   MET   1           H        MET   1   2.869   3.673  13.578
    2    HA   MET   1           HA       MET   1   3.079   2.424  11.602
    3    HB3  MET   1           1HB      MET   1   2.244   3.684   9.647
    4    HG3  MET   1           1HG      MET   1   0.862   4.525  12.232
    5    HE1  MET   1           3HE      MET   1  -0.699   2.532   9.357
    6    HE2  MET   1           1HE      MET   1  -1.491   3.752   8.339
    7    HE3  MET   1           2HE      MET   1   0.272   3.598   8.320
    8    H    LYS   2           H        LYS   2   5.531   4.563  12.235
    9    HA   LYS   2           HA       LYS   2   6.901   4.735   9.718
   10    HB3  LYS   2           1HB      LYS   2   8.746   5.649  11.134
   11    HG3  LYS   2           1HG      LYS   2   6.003   6.739  11.898
   12    HD3  LYS   2           1HD      LYS   2   8.737   8.084  11.757
   13    HE3  LYS   2           1HE      LYS   2   5.961   9.131  12.512
   14    HZ1  LYS   2           3HZ      LYS   2   8.585  10.536  12.467
   15    HZ2  LYS   2           1HZ      LYS   2   7.745  10.150  13.820
   16    HZ3  LYS   2           2HZ      LYS   2   7.145  11.239  12.767
   17    H    THR   3           H        THR   3   6.573   1.982  11.515
   18    HA   THR   3           HA       THR   3   9.094   0.721  11.637
   19    HB   THR   3           HB       THR   3   6.403  -0.600  11.090
   20    HG1  THR   3           HG1      THR   3   7.533   0.204  13.577
   21   HG21  THR   3          3HG2      THR   3   7.305  -2.368  12.640
   22   HG22  THR   3          1HG2      THR   3   8.878  -1.547  12.595
   23   HG23  THR   3          2HG2      THR   3   8.194  -2.254  11.115
   24    H    ARG   4           H        ARG   4  10.124  -0.817  10.319
   25    HA   ARG   4           HA       ARG   4  10.168  -0.228   7.509
   26    HB3  ARG   4           1HB      ARG   4  11.915  -1.980   7.437
   27    HG3  ARG   4           1HG      ARG   4  12.189  -0.152   9.886
   28    HD3  ARG   4           1HD      ARG   4  14.622  -0.260   9.294
   29    HE   ARG   4           HE       ARG   4  13.195  -2.157  10.755
   30   HH11  ARG   4          1HH1      ARG   4  16.270  -2.132   9.011
   31   HH12  ARG   4          2HH1      ARG   4  16.976  -3.348  10.038
   32   HH21  ARG   4          1HH2      ARG   4  14.167  -3.734  12.052
   33   HH22  ARG   4          2HH2      ARG   4  15.800  -4.236  11.736
   34    H    TYR   5           H        TYR   5  10.253  -2.051   5.858
   35    HA   TYR   5           HA       TYR   5   7.718  -3.252   5.512
   36    HB3  TYR   5           1HB      TYR   5   9.073  -4.650   3.759
   37    HD1  TYR   5           HD1      TYR   5   7.089  -3.904   2.647
   38    HD2  TYR   5           HD2      TYR   5  10.268  -1.157   3.545
   39    HE1  TYR   5           HE1      TYR   5   6.179  -2.286   0.943
   40    HE2  TYR   5           HE2      TYR   5   9.407   0.419   1.832
   41    HH   TYR   5           HH       TYR   5   6.611  -0.358  -0.258
   42    H    SER   6           H        SER   6   7.001  -5.429   5.335
   43    HA   SER   6           HA       SER   6   8.381  -7.309   7.185
   44    HB3  SER   6           1HB      SER   6   6.057  -8.125   7.698
   45    HG   SER   6           HG       SER   6   5.556  -6.309   9.023
   46    H    ALA   7           H        ALA   7   8.892  -9.295   6.434
   47    HA   ALA   7           HA       ALA   7   8.058 -10.174   3.763
   48    HB1  ALA   7           3HB      ALA   7  10.371 -10.456   4.619
   49    HB2  ALA   7           1HB      ALA   7   9.764 -11.527   5.908
   50    HB3  ALA   7           2HB      ALA   7   9.620 -12.006   4.210
   51    H    GLU   8           H        GLU   8   7.074 -10.836   7.046
   52    HA   GLU   8           HA       GLU   8   5.759 -13.375   6.473
   53    HB3  GLU   8           1HB      GLU   8   5.072 -13.268   8.836
   54    HG3  GLU   8           1HG      GLU   8   8.003 -12.519   8.487
   55    H    ALA   9           H        ALA   9   4.733 -11.523   4.707
   56    HA   ALA   9           HA       ALA   9   2.242 -10.351   5.585
   57    HB1  ALA   9           3HB      ALA   9   3.299 -10.999   2.791
   58    HB2  ALA   9           1HB      ALA   9   1.867 -10.027   3.140
   59    HB3  ALA   9           2HB      ALA   9   3.458  -9.449   3.673
   60    HA   PRO  10           HA       PRO  10  -0.555 -13.827   5.167
   61    HB3  PRO  10           1HB      PRO  10  -2.183 -12.393   5.956
   62    HG3  PRO  10           1HG      PRO  10  -2.359 -10.116   5.126
   63    HD3  PRO  10           1HD      PRO  10  -0.220 -10.460   6.095
   64    H    ALA  11           H        ALA  11  -1.763 -15.060   3.608
   65    HA   ALA  11           HA       ALA  11  -1.045 -14.719   0.755
   66    HB1  ALA  11           3HB      ALA  11  -1.073 -16.988   1.766
   67    HB2  ALA  11           1HB      ALA  11  -2.781 -16.788   2.194
   68    HB3  ALA  11           2HB      ALA  11  -2.288 -16.850   0.487
   69    H    ARG  12           H        ARG  12  -2.722 -14.449  -0.881
   70    HA   ARG  12           HA       ARG  12  -4.476 -12.327  -0.270
   71    HB3  ARG  12           1HB      ARG  12  -5.061 -13.908  -2.740
   72    HG3  ARG  12           1HG      ARG  12  -4.247 -11.623  -3.711
   73    HD3  ARG  12           1HD      ARG  12  -6.712 -12.350  -3.603
   74    HE   ARG  12           HE       ARG  12  -7.020 -11.811  -1.158
   75   HH11  ARG  12          1HH1      ARG  12  -7.632  -9.252  -3.559
   76   HH12  ARG  12          2HH1      ARG  12  -8.746  -8.443  -2.487
   77   HH21  ARG  12          1HH2      ARG  12  -8.391 -10.635   0.135
   78   HH22  ARG  12          2HH2      ARG  12  -9.153  -9.191  -0.482
   79    H    ASP  13           H        ASP  13  -5.151 -15.811  -0.270
   80    HA   ASP  13           HA       ASP  13  -8.004 -15.652  -0.024
   81    HB3  ASP  13           1HB      ASP  13  -6.086 -17.727   1.106
   82    H    GLU  14           H        GLU  14  -5.403 -15.561   2.451
   83    HA   GLU  14           HA       GLU  14  -7.236 -15.408   4.696
   84    HB3  GLU  14           1HB      GLU  14  -4.257 -14.747   4.553
   85    HG3  GLU  14           1HG      GLU  14  -6.130 -15.457   6.855
   86    H    LEU  15           H        LEU  15  -5.513 -13.064   2.650
   87    HA   LEU  15           HA       LEU  15  -6.170 -10.653   4.046
   88    HB3  LEU  15           1HB      LEU  15  -5.909 -11.063   1.049
   89    HG   LEU  15           HG       LEU  15  -6.310  -8.697   2.107
   90   HD11  LEU  15          1HD1      LEU  15  -3.309  -9.018   2.601
   91   HD12  LEU  15          2HD1      LEU  15  -4.522  -8.992   3.910
   92   HD13  LEU  15          3HD1      LEU  15  -4.274  -7.563   2.868
   93   HD21  LEU  15          3HD2      LEU  15  -5.693  -9.002  -0.211
   94   HD22  LEU  15          1HD2      LEU  15  -4.008  -9.355   0.248
   95   HD23  LEU  15          2HD2      LEU  15  -4.688  -7.732   0.493
   96    H    ASP  16           H        ASP  16  -8.025 -12.649   1.744
   97    HA   ASP  16           HA       ASP  16 -10.180 -10.771   1.337
   98    HB3  ASP  16           1HB      ASP  16 -10.184 -13.790   1.049
   99    H    ARG  17           H        ARG  17  -9.355 -12.522   4.142
  100    HA   ARG  17           HA       ARG  17 -12.077 -12.662   5.236
  101    HB3  ARG  17           1HB      ARG  17 -11.003 -13.205   7.333
  102    HG3  ARG  17           1HG      ARG  17  -9.773 -15.211   6.828
  103    HD3  ARG  17           1HD      ARG  17 -11.749 -15.042   4.525
  104    HE   ARG  17           HE       ARG  17 -11.920 -17.271   6.352
  105   HH11  ARG  17          1HH1      ARG  17  -9.862 -16.192   3.645
  106   HH12  ARG  17          2HH1      ARG  17  -9.398 -17.818   3.257
  107   HH21  ARG  17          1HH2      ARG  17 -11.270 -19.334   5.748
  108   HH22  ARG  17          2HH2      ARG  17 -10.191 -19.541   4.398
  109    H    LEU  18           H        LEU  18  -9.702 -10.111   4.811
  110    HA   LEU  18           HA       LEU  18 -10.605  -8.572   7.112
  111    HB3  LEU  18           1HB      LEU  18  -8.318  -8.462   6.039
  112    HG   LEU  18           HG       LEU  18  -9.215  -7.661   3.670
  113   HD11  LEU  18          1HD1      LEU  18 -10.534  -5.722   4.269
  114   HD12  LEU  18          2HD1      LEU  18  -9.089  -5.174   3.429
  115   HD13  LEU  18          3HD1      LEU  18  -9.191  -5.030   5.199
  116   HD21  LEU  18          3HD2      LEU  18  -6.830  -7.880   4.358
  117   HD22  LEU  18          1HD2      LEU  18  -6.905  -6.264   5.103
  118   HD23  LEU  18          2HD2      LEU  18  -7.083  -6.443   3.345
  119    H    ALA  19           H        ALA  19 -11.681  -6.507   7.087
  120    HA   ALA  19           HA       ALA  19 -13.515  -6.064   4.755
  121    HB1  ALA  19           3HB      ALA  19 -14.665  -7.304   6.556
  122    HB2  ALA  19           1HB      ALA  19 -14.261  -6.014   7.709
  123    HB3  ALA  19           2HB      ALA  19 -15.345  -5.685   6.342
  124    H    GLY  20           H        GLY  20 -11.422  -4.528   7.113
  125    HA2  GLY  20           1HA      GLY  20 -12.688  -1.922   6.908
  126    HA3  GLY  20           2HA      GLY  20 -11.164  -2.302   7.740
  127    HA   PRO  21           HA       PRO  21 -10.229  -0.005   3.734
  128    HB3  PRO  21           1HB      PRO  21 -11.172   2.020   4.291
  129    HG3  PRO  21           1HG      PRO  21 -11.489   2.655   6.557
  130    HD3  PRO  21           1HD      PRO  21 -12.465   0.513   6.495
  131    H    THR  22           H        THR  22  -8.407  -1.083   3.308
  132    HA   THR  22           HA       THR  22  -5.957  -0.662   4.998
  133    HB   THR  22           HB       THR  22  -7.003  -3.281   3.833
  134    HG1  THR  22           HG1      THR  22  -7.018  -3.822   6.065
  135   HG21  THR  22          3HG2      THR  22  -5.013  -4.287   5.007
  136   HG22  THR  22          1HG2      THR  22  -4.402  -2.660   5.329
  137   HG23  THR  22          2HG2      THR  22  -4.542  -3.254   3.659
  138    H    LEU  23           H        LEU  23  -4.440   0.270   3.828
  139    HA   LEU  23           HA       LEU  23  -4.301  -0.127   0.906
  140    HB3  LEU  23           1HB      LEU  23  -2.551   1.450   2.838
  141    HG   LEU  23           HG       LEU  23  -1.308   1.068   0.792
  142   HD11  LEU  23          1HD1      LEU  23  -2.710   0.422  -0.862
  143   HD12  LEU  23          2HD1      LEU  23  -2.474   2.092  -1.382
  144   HD13  LEU  23          3HD1      LEU  23  -3.932   1.656  -0.504
  145   HD21  LEU  23          3HD2      LEU  23  -2.549   3.828   0.764
  146   HD22  LEU  23          1HD2      LEU  23  -1.015   3.362  -0.001
  147   HD23  LEU  23          2HD2      LEU  23  -1.176   3.294   1.761
  148    H    VAL  24           H        VAL  24  -3.076  -1.738   0.041
  149    HA   VAL  24           HA       VAL  24  -0.972  -3.019   1.738
  150    HB   VAL  24           HB       VAL  24  -2.205  -4.182  -0.800
  151   HG11  VAL  24          1HG1      VAL  24   0.058  -5.036  -0.189
  152   HG12  VAL  24          2HG1      VAL  24  -0.539  -5.428   1.428
  153   HG13  VAL  24          3HG1      VAL  24  -1.189  -6.282   0.009
  154   HG21  VAL  24          3HG2      VAL  24  -2.957  -4.732   2.109
  155   HG22  VAL  24          1HG2      VAL  24  -4.014  -4.073   0.832
  156   HG23  VAL  24          2HG2      VAL  24  -3.444  -5.736   0.726
  157    H    GLU  25           H        GLU  25   1.018  -2.472   1.348
  158    HA   GLU  25           HA       GLU  25   1.769  -1.226  -1.258
  159    HB3  GLU  25           1HB      GLU  25   2.773  -0.762   1.565
  160    HG3  GLU  25           1HG      GLU  25   3.743   0.472  -1.039
  161    H    PHE  26           H        PHE  26   3.430  -1.956  -2.366
  162    HA   PHE  26           HA       PHE  26   4.982  -4.298  -1.341
  163    HB3  PHE  26           1HB      PHE  26   5.087  -5.013  -3.661
  164    HD1  PHE  26           HD2      PHE  26   3.771  -6.697  -2.312
  165    HD2  PHE  26           HD1      PHE  26   1.902  -3.234  -4.067
  166    HE1  PHE  26           HE2      PHE  26   1.524  -7.667  -1.863
  167    HE2  PHE  26           HE1      PHE  26  -0.333  -4.216  -3.617
  168    HZ   PHE  26           HZ       PHE  26  -0.518  -6.401  -2.492
  169    H    GLY  27           H        GLY  27   7.163  -4.165  -1.264
  170    HA2  GLY  27           1HA      GLY  27   8.966  -2.805  -2.880
  171    HA3  GLY  27           2HA      GLY  27   8.478  -1.618  -1.685
  172    H    THR  28           H        THR  28  10.741  -1.612  -0.964
  173    HA   THR  28           HA       THR  28  11.209  -3.568   1.201
  174    HB   THR  28           HB       THR  28  13.547  -3.890   0.680
  175    HG1  THR  28           HG1      THR  28  14.269  -3.253  -1.434
  176   HG21  THR  28          3HG2      THR  28  11.891  -4.684  -1.740
  177   HG22  THR  28          1HG2      THR  28  11.967  -5.566  -0.207
  178   HG23  THR  28          2HG2      THR  28  13.421  -5.404  -1.220
  179    H    ASP  29           H        ASP  29  13.262  -2.788   2.472
  180    HA   ASP  29           HA       ASP  29  12.672  -0.006   3.240
  181    HB3  ASP  29           1HB      ASP  29  14.647  -2.077   4.311
  182    H    TRP  30           H        TRP  30  14.665  -1.400   0.919
  183    HA   TRP  30           HA       TRP  30  16.873   0.590   1.220
  184    HB3  TRP  30           1HB      TRP  30  17.577  -1.457   2.101
  185    HD1  TRP  30           HD       TRP  30  16.189  -3.567   2.594
  186    HE1  TRP  30           HE1      TRP  30  15.639  -5.726   1.306
  187    HE3  TRP  30           HE3      TRP  30  17.737  -2.142  -2.076
  188    HZ2  TRP  30           HZ2      TRP  30  15.768  -6.672  -1.412
  189    HZ3  TRP  30           HZ3      TRP  30  17.517  -3.676  -3.989
  190    HH2  TRP  30           HH       TRP  30  16.524  -5.951  -3.682
  191    H    CYS  31           H        CYS  31  14.581  -0.582  -1.145
  192    HA   CYS  31           HA       CYS  31  16.255   0.031  -3.447
  193    HB2  CYS  31           1HB      CYS  31  14.346  -1.494  -3.615
  194    HB3  CYS  31           2HB      CYS  31  13.234  -0.178  -3.216
  195    H    GLY  32           H        GLY  32  16.340   1.862  -4.676
  196    HA2  GLY  32           1HA      GLY  32  15.992   4.462  -3.496
  197    HA3  GLY  32           2HA      GLY  32  16.403   4.116  -5.174
  198    H    HIS  33           H        HIS  33  13.816   2.479  -5.472
  199    HA   HIS  33           HA       HIS  33  11.899   4.585  -6.116
  200    HB2  HIS  33           1HB      HIS  33  11.669   1.566  -5.668
  201    HB3  HIS  33           2HB      HIS  33  10.320   2.583  -6.085
  202    HD1  HIS  33           HD1      HIS  33  12.035   0.193  -7.829
  203    HD2  HIS  33           HD2      HIS  33  11.168   4.254  -8.495
  204    HE1  HIS  33           HE1      HIS  33  11.782   0.479 -10.357
  205    H    CYS  34           H        CYS  34  12.235   2.263  -3.408
  206    HA   CYS  34           HA       CYS  34   9.948   3.188  -1.911
  207    HB3  CYS  34           1HB      CYS  34  11.429   1.968  -0.051
  208    HG   CYS  34           HG       CYS  34   9.100   1.108  -0.867
  209    H    GLN  35           H        GLN  35  13.356   4.230  -1.881
  210    HA   GLN  35           HA       GLN  35  13.119   5.675   0.575
  211    HB3  GLN  35           1HB      GLN  35  15.122   6.921  -0.084
  212    HG3  GLN  35           1HG      GLN  35  16.702   5.233  -0.504
  213   HE21  GLN  35          2HE2      GLN  35  14.701   2.540  -0.256
  214   HE22  GLN  35          1HE2      GLN  35  14.822   2.377   1.505
  215    H    ALA  36           H        ALA  36  12.020   6.434  -2.599
  216    HA   ALA  36           HA       ALA  36  11.435   9.288  -2.060
  217    HB1  ALA  36           3HB      ALA  36  12.278   8.555  -4.275
  218    HB2  ALA  36           1HB      ALA  36  10.882   7.472  -4.457
  219    HB3  ALA  36           2HB      ALA  36  10.646   9.227  -4.404
  220    H    ALA  37           H        ALA  37   9.671   6.179  -2.349
  221    HA   ALA  37           HA       ALA  37   7.071   7.526  -2.149
  222    HB1  ALA  37           3HB      ALA  37   7.791   4.572  -2.293
  223    HB2  ALA  37           1HB      ALA  37   6.155   5.285  -2.465
  224    HB3  ALA  37           2HB      ALA  37   7.401   5.632  -3.678
  225    H    GLN  38           H        GLN  38   9.218   5.813   0.088
  226    HA   GLN  38           HA       GLN  38   7.253   5.251   2.109
  227    HB3  GLN  38           1HB      GLN  38   9.341   5.351   3.636
  228    HG3  GLN  38           1HG      GLN  38  10.258   3.217   2.894
  229   HE21  GLN  38          2HE2      GLN  38   7.378   2.758   1.002
  230   HE22  GLN  38          1HE2      GLN  38   6.384   2.072   2.246
  231    HA   PRO  39           HA       PRO  39   8.111   9.419   4.199
  232    HB3  PRO  39           1HB      PRO  39  10.218  10.271   3.807
  233    HG3  PRO  39           1HG      PRO  39  11.256  10.087   1.663
  234    HD3  PRO  39           1HD      PRO  39  10.691   7.907   2.366
  235    H    LEU  40           H        LEU  40   7.135   8.969   0.905
  236    HA   LEU  40           HA       LEU  40   5.352  11.258   0.691
  237    HB3  LEU  40           1HB      LEU  40   4.680   8.811  -0.855
  238    HG   LEU  40           HG       LEU  40   4.732  10.034  -2.753
  239   HD11  LEU  40          1HD1      LEU  40   3.257  11.794  -2.430
  240   HD12  LEU  40          2HD1      LEU  40   3.992  12.295  -0.882
  241   HD13  LEU  40          3HD1      LEU  40   3.004  10.829  -0.971
  242   HD21  LEU  40          3HD2      LEU  40   6.451  12.145  -1.403
  243   HD22  LEU  40          1HD2      LEU  40   5.812  12.245  -3.057
  244   HD23  LEU  40          2HD2      LEU  40   6.969  10.965  -2.634
  245    H    LEU  41           H        LEU  41   4.859   7.731   1.192
  246    HA   LEU  41           HA       LEU  41   2.104   7.875   1.819
  247    HB3  LEU  41           1HB      LEU  41   2.743   5.655   3.153
  248    HG   LEU  41           HG       LEU  41   2.522   4.284   1.278
  249   HD11  LEU  41          1HD1      LEU  41   0.908   6.747   0.567
  250   HD12  LEU  41          2HD1      LEU  41   0.512   5.576   1.840
  251   HD13  LEU  41          3HD1      LEU  41   0.567   5.074   0.141
  252   HD21  LEU  41          3HD2      LEU  41   2.770   5.145  -1.058
  253   HD22  LEU  41          1HD2      LEU  41   4.272   5.089  -0.132
  254   HD23  LEU  41          2HD2      LEU  41   3.475   6.635  -0.378
  255    H    ALA  42           H        ALA  42   4.970   7.984   3.907
  256    HA   ALA  42           HA       ALA  42   3.688   8.106   6.429
  257    HB1  ALA  42           3HB      ALA  42   6.123   7.820   6.047
  258    HB2  ALA  42           1HB      ALA  42   6.233   9.520   5.519
  259    HB3  ALA  42           2HB      ALA  42   5.787   9.141   7.198
  260    H    GLU  43           H        GLU  43   4.261  10.777   4.107
  261    HA   GLU  43           HA       GLU  43   3.282  12.856   5.889
  262    HB3  GLU  43           1HB      GLU  43   3.152  14.157   3.668
  263    HG3  GLU  43           1HG      GLU  43   5.706  14.107   3.405
  264    H    VAL  44           H        VAL  44   1.782  11.101   3.099
  265    HA   VAL  44           HA       VAL  44  -0.724  12.455   3.406
  266    HB   VAL  44           HB       VAL  44  -0.371  11.550   1.335
  267   HG11  VAL  44          1HG1      VAL  44   1.136   9.739   1.770
  268   HG12  VAL  44          2HG1      VAL  44  -0.188   8.733   2.410
  269   HG13  VAL  44          3HG1      VAL  44  -0.169   9.282   0.715
  270   HG21  VAL  44          3HG2      VAL  44  -2.425   9.706   2.603
  271   HG22  VAL  44          1HG2      VAL  44  -2.737  11.380   2.162
  272   HG23  VAL  44          2HG2      VAL  44  -2.337  10.208   0.895
  273    H    PHE  45           H        PHE  45   0.288   9.214   4.618
  274    HA   PHE  45           HA       PHE  45  -2.149   8.456   5.823
  275    HB3  PHE  45           1HB      PHE  45  -0.305   7.333   7.524
  276    HD1  PHE  45           HD1      PHE  45  -2.609   6.162   7.143
  277    HD2  PHE  45           HD2      PHE  45   0.733   5.926   4.410
  278    HE1  PHE  45           HE1      PHE  45  -3.415   3.979   6.291
  279    HE2  PHE  45           HE2      PHE  45  -0.084   3.764   3.603
  280    HZ   PHE  45           HZ       PHE  45  -2.179   2.787   4.519
  281    H    SER  46           H        SER  46   0.192  10.765   7.074
  282    HA   SER  46           HA       SER  46  -0.636  10.744   9.820
  283    HB3  SER  46           1HB      SER  46   0.359  13.041   9.875
  284    HG   SER  46           HG       SER  46   2.060  11.249   8.450
  285    H    ASP  47           H        ASP  47  -2.335  11.988   7.014
  286    HA   ASP  47           HA       ASP  47  -4.228  13.493   8.752
  287    HB3  ASP  47           1HB      ASP  47  -4.210  13.333   5.730
  288    H    TYR  48           H        TYR  48  -3.842  10.378   7.521
  289    HA   TYR  48           HA       TYR  48  -6.766   9.805   7.693
  290    HB3  TYR  48           1HB      TYR  48  -6.633   8.290   5.818
  291    HD1  TYR  48           HD2      TYR  48  -8.233  10.246   5.425
  292    HD2  TYR  48           HD1      TYR  48  -4.082  10.340   4.352
  293    HE1  TYR  48           HE2      TYR  48  -8.673  12.188   3.931
  294    HE2  TYR  48           HE1      TYR  48  -4.453  12.405   3.024
  295    HH   TYR  48           HH       TYR  48  -6.005  13.923   2.249
  296    HA   PRO  49           HA       PRO  49  -3.871   6.975  10.220
  297    HB3  PRO  49           1HB      PRO  49  -3.474   8.423  11.965
  298    HG3  PRO  49           1HG      PRO  49  -5.013  10.157  12.503
  299    HD3  PRO  49           1HD      PRO  49  -4.488  10.358  10.208
  300    H    GLU  50           H        GLU  50  -7.355   7.350   9.976
  301    HA   GLU  50           HA       GLU  50  -8.030   4.852  11.291
  302    HB3  GLU  50           1HB      GLU  50  -9.643   6.625  11.203
  303    HG3  GLU  50           1HG      GLU  50 -10.977   6.607   8.963
  304    H    VAL  51           H        VAL  51  -6.598   5.528   8.233
  305    HA   VAL  51           HA       VAL  51  -7.518   3.008   6.962
  306    HB   VAL  51           HB       VAL  51  -5.433   5.008   6.013
  307   HG11  VAL  51          1HG1      VAL  51  -5.734   3.900   3.806
  308   HG12  VAL  51          2HG1      VAL  51  -5.038   2.812   5.002
  309   HG13  VAL  51          3HG1      VAL  51  -6.752   2.661   4.571
  310   HG21  VAL  51          3HG2      VAL  51  -7.146   5.713   4.378
  311   HG22  VAL  51          1HG2      VAL  51  -8.329   4.654   5.159
  312   HG23  VAL  51          2HG2      VAL  51  -7.656   6.045   6.046
  313    H    GLY  52           H        GLY  52  -6.308   1.133   6.963
  314    HA2  GLY  52           1HA      GLY  52  -3.912   0.926   8.718
  315    HA3  GLY  52           2HA      GLY  52  -4.826  -0.409   7.977
  316    H    HIS  53           H        HIS  53  -1.909  -0.003   7.962
  317    HA   HIS  53           HA       HIS  53  -1.562  -0.038   4.999
  318    HB2  HIS  53           1HB      HIS  53  -0.509   1.977   6.332
  319    HB3  HIS  53           2HB      HIS  53   0.678   0.806   6.854
  320    HD1  HIS  53           HD1      HIS  53   2.491   2.320   5.386
  321    HD2  HIS  53           HD2      HIS  53  -0.613   0.514   3.209
  322    HE1  HIS  53           HE1      HIS  53   3.087   2.517   2.886
  323    H    LEU  54           H        LEU  54  -0.812  -1.930   4.236
  324    HA   LEU  54           HA       LEU  54   0.707  -3.773   6.042
  325    HB3  LEU  54           1HB      LEU  54  -1.097  -4.307   3.643
  326    HG   LEU  54           HG       LEU  54   0.676  -5.981   3.551
  327   HD11  LEU  54          1HD1      LEU  54   1.538  -5.934   5.854
  328   HD12  LEU  54          2HD1      LEU  54   1.042  -7.573   5.428
  329   HD13  LEU  54          3HD1      LEU  54   0.000  -6.581   6.477
  330   HD21  LEU  54          3HD2      LEU  54  -1.852  -7.148   4.797
  331   HD22  LEU  54          1HD2      LEU  54  -0.701  -7.966   3.715
  332   HD23  LEU  54          2HD2      LEU  54  -1.688  -6.631   3.104
  333    H    LYS  55           H        LYS  55   2.777  -3.300   5.721
  334    HA   LYS  55           HA       LYS  55   3.862  -2.667   3.049
  335    HB3  LYS  55           1HB      LYS  55   5.986  -2.728   4.695
  336    HG3  LYS  55           1HG      LYS  55   3.974  -0.557   4.226
  337    HD3  LYS  55           1HD      LYS  55   5.755   1.031   4.831
  338    HE3  LYS  55           1HE      LYS  55   5.109  -0.698   7.258
  339    HZ1  LYS  55           3HZ      LYS  55   6.421   1.226   7.717
  340    HZ2  LYS  55           1HZ      LYS  55   4.912   1.575   8.238
  341    HZ3  LYS  55           2HZ      LYS  55   5.456   2.219   6.839
  342    H    VAL  56           H        VAL  56   3.834  -4.443   1.794
  343    HA   VAL  56           HA       VAL  56   4.933  -7.053   2.720
  344    HB   VAL  56           HB       VAL  56   3.904  -6.202  -0.017
  345   HG11  VAL  56          1HG1      VAL  56   3.723  -8.620  -0.481
  346   HG12  VAL  56          2HG1      VAL  56   5.380  -8.187  -0.117
  347   HG13  VAL  56          3HG1      VAL  56   4.392  -8.982   1.127
  348   HG21  VAL  56          3HG2      VAL  56   2.053  -6.040   1.575
  349   HG22  VAL  56          1HG2      VAL  56   1.837  -7.429   0.515
  350   HG23  VAL  56          2HG2      VAL  56   2.404  -7.670   2.184
  351    H    GLU  57           H        GLU  57   6.916  -7.372   2.807
  352    HA   GLU  57           HA       GLU  57   8.898  -5.940   1.282
  353    HB3  GLU  57           1HB      GLU  57   9.250  -8.604   2.685
  354    HG3  GLU  57           1HG      GLU  57  11.064  -6.209   2.432
  355    H    ASP  58           H        ASP  58   9.259  -6.258  -0.891
  356    HA   ASP  58           HA       ASP  58   8.132  -8.483  -2.332
  357    HB3  ASP  58           1HB      ASP  58  10.167  -6.408  -3.200
  358    H    GLY  59           H        GLY  59   9.139 -10.159  -3.473
  359    HA2  GLY  59           1HA      GLY  59  11.970 -10.814  -2.976
  360    HA3  GLY  59           2HA      GLY  59  10.799 -11.924  -2.273
  361    HA   PRO  60           HA       PRO  60  11.644 -12.710  -6.896
  362    HB3  PRO  60           1HB      PRO  60  13.928 -13.044  -6.726
  363    HG3  PRO  60           1HG      PRO  60  14.920 -13.938  -4.747
  364    HD3  PRO  60           1HD      PRO  60  13.666 -12.078  -4.035
  365    H    GLY  61           H        GLY  61  11.121 -15.059  -4.239
  366    HA2  GLY  61           1HA      GLY  61   9.568 -16.878  -6.032
  367    HA3  GLY  61           2HA      GLY  61  10.183 -17.252  -4.414
  368    H    ARG  62           H        ARG  62   7.467 -16.357  -6.156
  369    HA   ARG  62           HA       ARG  62   5.342 -15.714  -5.660
  370    HB3  ARG  62           1HB      ARG  62   4.340 -16.805  -3.676
  371    HG3  ARG  62           1HG      ARG  62   6.272 -18.572  -5.246
  372    HD3  ARG  62           1HD      ARG  62   3.678 -19.151  -3.763
  373    HE   ARG  62           HE       ARG  62   3.463 -20.729  -5.411
  374   HH11  ARG  62          1HH1      ARG  62   6.875 -20.761  -4.457
  375   HH12  ARG  62          2HH1      ARG  62   7.199 -22.202  -5.368
  376   HH21  ARG  62          1HH2      ARG  62   3.961 -22.556  -6.572
  377   HH22  ARG  62          2HH2      ARG  62   5.588 -23.180  -6.575
  378    H    ARG  63           H        ARG  63   4.752 -15.282  -2.524
  379    HA   ARG  63           HA       ARG  63   4.415 -13.618  -1.107
  380    HB3  ARG  63           1HB      ARG  63   5.584 -11.498  -1.087
  381    HG3  ARG  63           1HG      ARG  63   7.636 -13.657  -1.675
  382    HD3  ARG  63           1HD      ARG  63   7.511 -11.426   0.391
  383    HE   ARG  63           HE       ARG  63   9.236 -13.680   0.267
  384   HH11  ARG  63          1HH1      ARG  63   9.437 -10.174   0.720
  385   HH12  ARG  63          2HH1      ARG  63  10.910 -10.289   1.670
  386   HH21  ARG  63          1HH2      ARG  63  11.147 -13.735   1.518
  387   HH22  ARG  63          2HH2      ARG  63  11.822 -12.239   2.099
  388    H    LEU  64           H        LEU  64   3.205 -11.716  -0.912
  389    HA   LEU  64           HA       LEU  64   0.853 -12.050  -2.313
  390    HB3  LEU  64           1HB      LEU  64   1.766  -9.727  -0.597
  391    HG   LEU  64           HG       LEU  64  -0.480  -9.282  -1.461
  392   HD11  LEU  64          1HD1      LEU  64  -2.372 -10.882  -0.816
  393   HD12  LEU  64          2HD1      LEU  64  -1.134 -12.068  -0.397
  394   HD13  LEU  64          3HD1      LEU  64  -1.306 -11.495  -2.074
  395   HD21  LEU  64          3HD2      LEU  64  -1.668  -9.118   0.710
  396   HD22  LEU  64          1HD2      LEU  64   0.024  -8.644   0.840
  397   HD23  LEU  64          2HD2      LEU  64  -0.491 -10.236   1.427
  398    H    GLY  65           H        GLY  65   3.339  -9.614  -3.156
  399    HA2  GLY  65           1HA      GLY  65   1.760  -8.021  -4.878
  400    HA3  GLY  65           2HA      GLY  65   3.518  -8.225  -4.998
  401    H    ARG  66           H        ARG  66   3.133 -11.193  -5.505
  402    HA   ARG  66           HA       ARG  66   2.832 -11.265  -8.379
  403    HB3  ARG  66           1HB      ARG  66   2.715 -13.484  -6.290
  404    HG3  ARG  66           1HG      ARG  66   3.356 -13.604  -9.277
  405    HD3  ARG  66           1HD      ARG  66   3.440 -15.718  -7.073
  406    HE   ARG  66           HE       ARG  66   4.246 -16.365  -9.820
  407   HH11  ARG  66          1HH1      ARG  66   1.582 -16.644  -7.508
  408   HH12  ARG  66          2HH1      ARG  66   0.913 -18.025  -8.318
  409   HH21  ARG  66          1HH2      ARG  66   3.327 -18.131 -10.812
  410   HH22  ARG  66          2HH2      ARG  66   1.885 -18.853 -10.164
  411    H    SER  67           H        SER  67   0.637 -12.129  -5.660
  412    HA   SER  67           HA       SER  67  -1.557 -12.992  -7.352
  413    HB3  SER  67           1HB      SER  67  -2.788 -13.127  -5.271
  414    HG   SER  67           HG       SER  67  -1.366 -14.510  -4.127
  415    H    PHE  68           H        PHE  68  -0.537  -9.876  -6.070
  416    HA   PHE  68           HA       PHE  68  -3.047  -8.519  -6.648
  417    HB3  PHE  68           1HB      PHE  68  -1.225  -6.542  -6.223
  418    HD1  PHE  68           HD2      PHE  68  -1.448  -9.077  -3.526
  419    HD2  PHE  68           HD1      PHE  68  -3.261  -5.652  -5.342
  420    HE1  PHE  68           HE2      PHE  68  -2.749  -8.706  -1.460
  421    HE2  PHE  68           HE1      PHE  68  -4.608  -5.269  -3.271
  422    HZ   PHE  68           HZ       PHE  68  -4.354  -6.767  -1.352
  423    H    GLN  69           H        GLN  69  -0.437  -9.503  -8.596
  424    HA   GLN  69           HA       GLN  69   0.330  -8.980 -10.679
  425    HB3  GLN  69           1HB      GLN  69  -1.181  -8.238 -12.372
  426    HG3  GLN  69           1HG      GLN  69  -1.906 -10.446 -10.753
  427   HE21  GLN  69          2HE2      GLN  69  -3.400  -9.989  -8.966
  428   HE22  GLN  69          1HE2      GLN  69  -5.049  -9.518  -9.287
  429    H    VAL  70           H        VAL  70   1.372  -7.468  -8.775
  430    HA   VAL  70           HA       VAL  70   1.022  -4.701  -8.755
  431    HB   VAL  70           HB       VAL  70   3.352  -6.476  -8.089
  432   HG11  VAL  70          1HG1      VAL  70   4.453  -4.465  -6.986
  433   HG12  VAL  70          2HG1      VAL  70   4.558  -4.486  -8.746
  434   HG13  VAL  70          3HG1      VAL  70   3.372  -3.432  -7.944
  435   HG21  VAL  70          3HG2      VAL  70   1.603  -4.614  -6.431
  436   HG22  VAL  70          1HG2      VAL  70   1.319  -6.351  -6.641
  437   HG23  VAL  70          2HG2      VAL  70   2.787  -5.802  -5.818
  438    H    LYS  71           H        LYS  71   1.477  -3.035  -9.965
  439    HA   LYS  71           HA       LYS  71   1.818  -3.796 -12.698
  440    HB3  LYS  71           1HB      LYS  71   1.257  -1.001 -11.627
  441    HG3  LYS  71           1HG      LYS  71   1.286  -1.141 -14.083
  442    HD3  LYS  71           1HD      LYS  71   0.758  -3.437 -14.628
  443    HE3  LYS  71           1HE      LYS  71  -1.928  -2.960 -13.261
  444    HZ1  LYS  71           3HZ      LYS  71  -2.353  -5.250 -13.871
  445    HZ2  LYS  71           1HZ      LYS  71  -0.929  -5.379 -14.671
  446    HZ3  LYS  71           2HZ      LYS  71  -2.101  -4.384 -15.238
  447    H    LEU  72           H        LEU  72   3.529  -1.324 -10.766
  448    HA   LEU  72           HA       LEU  72   5.848  -1.499 -12.657
  449    HB3  LEU  72           1HB      LEU  72   5.215   0.686 -10.629
  450    HG   LEU  72           HG       LEU  72   7.693   0.485 -11.188
  451   HD11  LEU  72          1HD1      LEU  72   6.736   1.029 -14.038
  452   HD12  LEU  72          2HD1      LEU  72   7.576  -0.430 -13.462
  453   HD13  LEU  72          3HD1      LEU  72   8.417   1.115 -13.473
  454   HD21  LEU  72          3HD2      LEU  72   6.272   2.927 -12.320
  455   HD22  LEU  72          1HD2      LEU  72   7.968   2.848 -11.778
  456   HD23  LEU  72          2HD2      LEU  72   6.654   2.646 -10.605
  457    H    TRP  73           H        TRP  73   6.606  -0.320  -9.658
  458    HA   TRP  73           HA       TRP  73   6.742  -2.888  -8.229
  459    HB3  TRP  73           1HB      TRP  73   9.212  -1.220  -8.549
  460    HD1  TRP  73           HD       TRP  73   8.922  -5.032  -8.326
  461    HE1  TRP  73           HE1      TRP  73  10.133  -5.845  -6.211
  462    HE3  TRP  73           HE3      TRP  73   9.924  -0.489  -6.190
  463    HZ2  TRP  73           HZ2      TRP  73  11.543  -4.664  -3.985
  464    HZ3  TRP  73           HZ3      TRP  73  11.168  -0.361  -4.064
  465    HH2  TRP  73           HH       TRP  73  12.014  -2.418  -2.970
  466    HA   PRO  74           HA       PRO  74   6.790   0.712  -5.153
  467    HB3  PRO  74           1HB      PRO  74   8.212   2.473  -5.543
  468    HG3  PRO  74           1HG      PRO  74   8.697   3.145  -7.797
  469    HD3  PRO  74           1HD      PRO  74   9.077   0.839  -7.843
  470    H    THR  75           H        THR  75   4.711  -0.019  -4.953
  471    HA   THR  75           HA       THR  75   2.441   1.286  -6.335
  472    HB   THR  75           HB       THR  75   3.288  -1.628  -6.692
  473    HG1  THR  75           HG1      THR  75   3.732   0.476  -8.097
  474   HG21  THR  75          3HG2      THR  75   0.893  -1.730  -6.359
  475   HG22  THR  75          1HG2      THR  75   1.196  -1.854  -8.093
  476   HG23  THR  75          2HG2      THR  75   0.627  -0.314  -7.395
  477    H    PHE  76           H        PHE  76   0.682   1.231  -5.165
  478    HA   PHE  76           HA       PHE  76   0.398  -0.717  -2.989
  479    HB3  PHE  76           1HB      PHE  76   1.271   0.889  -1.585
  480    HD1  PHE  76           HD1      PHE  76   2.986   2.062  -2.947
  481    HD2  PHE  76           HD2      PHE  76  -1.058   3.490  -2.470
  482    HE1  PHE  76           HE1      PHE  76   3.677   4.301  -3.802
  483    HE2  PHE  76           HE2      PHE  76  -0.343   5.717  -3.219
  484    HZ   PHE  76           HZ       PHE  76   1.980   6.096  -3.993
  485    H    VAL  77           H        VAL  77  -1.516  -1.413  -2.704
  486    HA   VAL  77           HA       VAL  77  -3.688  -0.474  -4.519
  487    HB   VAL  77           HB       VAL  77  -3.115  -3.268  -3.459
  488   HG11  VAL  77          1HG1      VAL  77  -5.499  -2.972  -3.958
  489   HG12  VAL  77          2HG1      VAL  77  -5.129  -2.294  -5.531
  490   HG13  VAL  77          3HG1      VAL  77  -4.771  -3.980  -5.212
  491   HG21  VAL  77          3HG2      VAL  77  -2.513  -2.024  -6.177
  492   HG22  VAL  77          1HG2      VAL  77  -1.336  -2.621  -5.003
  493   HG23  VAL  77          2HG2      VAL  77  -2.409  -3.746  -5.824
  494    H    PHE  78           H        PHE  78  -5.502   0.233  -3.684
  495    HA   PHE  78           HA       PHE  78  -5.827   0.260  -0.735
  496    HB3  PHE  78           1HB      PHE  78  -7.655   1.863  -1.220
  497    HD1  PHE  78           HD2      PHE  78  -4.916   2.373  -3.731
  498    HD2  PHE  78           HD1      PHE  78  -6.475   3.522   0.121
  499    HE1  PHE  78           HE2      PHE  78  -3.166   4.098  -3.537
  500    HE2  PHE  78           HE1      PHE  78  -4.747   5.308   0.249
  501    HZ   PHE  78           HZ       PHE  78  -3.127   5.616  -1.624
  502    H    LEU  79           H        LEU  79  -6.911  -1.313   0.209
  503    HA   LEU  79           HA       LEU  79  -9.141  -2.656  -1.221
  504    HB3  LEU  79           1HB      LEU  79  -8.753  -4.245   0.890
  505    HG   LEU  79           HG       LEU  79  -8.696  -5.011  -1.389
  506   HD11  LEU  79          1HD1      LEU  79  -7.104  -3.450  -2.424
  507   HD12  LEU  79          2HD1      LEU  79  -6.650  -5.132  -2.681
  508   HD13  LEU  79          3HD1      LEU  79  -5.783  -4.163  -1.455
  509   HD21  LEU  79          3HD2      LEU  79  -8.037  -6.474   0.470
  510   HD22  LEU  79          1HD2      LEU  79  -6.349  -5.953   0.299
  511   HD23  LEU  79          2HD2      LEU  79  -7.136  -6.880  -0.996
  512    H    ARG  80           H        ARG  80 -11.054  -3.027  -0.135
  513    HA   ARG  80           HA       ARG  80 -11.660  -2.217   2.543
  514    HB3  ARG  80           1HB      ARG  80 -13.100  -0.548   0.452
  515    HG3  ARG  80           1HG      ARG  80 -12.671  -0.282   3.452
  516    HD3  ARG  80           1HD      ARG  80 -14.094   1.646   1.553
  517    HE   ARG  80           HE       ARG  80 -14.616   1.308   4.206
  518   HH11  ARG  80          1HH1      ARG  80 -13.050   4.039   2.503
  519   HH12  ARG  80          2HH1      ARG  80 -13.601   5.168   3.710
  520   HH21  ARG  80          1HH2      ARG  80 -15.246   2.860   5.689
  521   HH22  ARG  80          2HH2      ARG  80 -14.787   4.517   5.466
  522    H    ASP  81           H        ASP  81 -13.501  -3.309   3.198
  523    HA   ASP  81           HA       ASP  81 -14.917  -5.073   3.221
  524    HB3  ASP  81           1HB      ASP  81 -15.602  -4.451   0.323
  525    H    GLY  82           H        GLY  82 -12.059  -5.282   2.302
  526    HA2  GLY  82           1HA      GLY  82 -10.580  -7.018   1.857
  527    HA3  GLY  82           2HA      GLY  82 -11.957  -8.103   1.582
  528    H    ARG  83           H        ARG  83 -12.723  -5.703  -0.399
  529    HA   ARG  83           HA       ARG  83 -11.535  -6.932  -2.805
  530    HB3  ARG  83           1HB      ARG  83 -13.380  -5.475  -3.885
  531    HG3  ARG  83           1HG      ARG  83 -13.913  -7.799  -2.021
  532    HD3  ARG  83           1HD      ARG  83 -15.940  -6.388  -3.790
  533    HE   ARG  83           HE       ARG  83 -16.198  -8.770  -4.059
  534   HH11  ARG  83          1HH1      ARG  83 -17.107  -7.680  -0.765
  535   HH12  ARG  83          2HH1      ARG  83 -17.950  -9.163  -0.471
  536   HH21  ARG  83          1HH2      ARG  83 -17.333 -10.590  -3.559
  537   HH22  ARG  83          2HH2      ARG  83 -18.064 -10.771  -1.991
  538    H    GLU  84           H        GLU  84 -10.579  -5.675  -4.329
  539    HA   GLU  84           HA       GLU  84  -9.109  -3.304  -3.453
  540    HB3  GLU  84           1HB      GLU  84  -9.292  -4.684  -6.145
  541    HG3  GLU  84           1HG      GLU  84  -7.611  -2.273  -5.392
  542    H    VAL  85           H        VAL  85  -9.815  -1.316  -3.407
  543    HA   VAL  85           HA       VAL  85 -12.240  -0.496  -4.962
  544    HB   VAL  85           HB       VAL  85 -12.200   1.538  -3.529
  545   HG11  VAL  85          1HG1      VAL  85 -13.262   0.445  -1.629
  546   HG12  VAL  85          2HG1      VAL  85 -13.698  -0.389  -3.133
  547   HG13  VAL  85          3HG1      VAL  85 -12.485  -1.103  -2.047
  548   HG21  VAL  85          3HG2      VAL  85  -9.776   1.333  -2.726
  549   HG22  VAL  85          1HG2      VAL  85 -10.975   1.624  -1.449
  550   HG23  VAL  85          2HG2      VAL  85 -10.320   0.005  -1.681
  551    H    ALA  86           H        ALA  86  -8.795  -0.033  -4.777
  552    HA   ALA  86           HA       ALA  86  -8.595   1.356  -7.277
  553    HB1  ALA  86           3HB      ALA  86  -9.369   3.296  -5.951
  554    HB2  ALA  86           1HB      ALA  86  -8.148   2.939  -4.706
  555    HB3  ALA  86           2HB      ALA  86  -7.656   3.498  -6.302
  556    H    ARG  87           H        ARG  87  -6.240   2.257  -7.459
  557    HA   ARG  87           HA       ARG  87  -4.366   1.465  -5.448
  558    HB3  ARG  87           1HB      ARG  87  -4.429  -0.642  -6.591
  559    HG3  ARG  87           1HG      ARG  87  -3.536   0.875  -9.079
  560    HD3  ARG  87           1HD      ARG  87  -2.271  -1.201  -8.413
  561    HE   ARG  87           HE       ARG  87  -4.927  -2.398  -8.406
  562   HH11  ARG  87          1HH1      ARG  87  -1.592  -3.233  -9.359
  563   HH12  ARG  87          2HH1      ARG  87  -1.897  -4.940  -9.133
  564   HH21  ARG  87          1HH2      ARG  87  -5.169  -4.587  -8.087
  565   HH22  ARG  87          2HH2      ARG  87  -3.816  -5.667  -8.415
  566    H    VAL  88           H        VAL  88  -2.324   2.416  -5.706
  567    HA   VAL  88           HA       VAL  88  -2.124   4.574  -7.820
  568    HB   VAL  88           HB       VAL  88  -1.311   4.617  -4.939
  569   HG11  VAL  88          1HG1      VAL  88  -0.379   6.944  -5.377
  570   HG12  VAL  88          2HG1      VAL  88   0.548   5.689  -6.215
  571   HG13  VAL  88          3HG1      VAL  88  -0.632   6.667  -7.117
  572   HG21  VAL  88          3HG2      VAL  88  -3.662   5.292  -5.381
  573   HG22  VAL  88          1HG2      VAL  88  -2.682   6.532  -4.602
  574   HG23  VAL  88          2HG2      VAL  88  -3.048   6.644  -6.345
  575    H    VAL  89           H        VAL  89  -0.378   4.505  -9.019
  576    HA   VAL  89           HA       VAL  89   1.871   2.619  -8.385
  577    HB   VAL  89           HB       VAL  89   0.613   3.238 -11.095
  578   HG11  VAL  89          1HG1      VAL  89   2.159   1.495 -11.979
  579   HG12  VAL  89          2HG1      VAL  89   3.043   2.884 -11.339
  580   HG13  VAL  89          3HG1      VAL  89   2.923   1.397 -10.381
  581   HG21  VAL  89          3HG2      VAL  89   0.627   0.617  -9.558
  582   HG22  VAL  89          1HG2      VAL  89  -0.785   1.679  -9.751
  583   HG23  VAL  89          2HG2      VAL  89  -0.077   0.912 -11.162
  584    H    ARG  90           H        ARG  90   3.805   3.608  -8.290
  585    HA   ARG  90           HA       ARG  90   5.431   5.144  -8.333
  586    HB3  ARG  90           1HB      ARG  90   4.407   6.001 -11.065
  587    HG3  ARG  90           1HG      ARG  90   7.206   5.591  -9.882
  588    HD3  ARG  90           1HD      ARG  90   6.331   6.818 -12.524
  589    HE   ARG  90           HE       ARG  90   8.749   7.141 -11.103
  590   HH11  ARG  90          1HH1      ARG  90   7.843   6.078 -14.362
  591   HH12  ARG  90          2HH1      ARG  90   9.364   6.572 -15.043
  592   HH21  ARG  90          1HH2      ARG  90  10.677   7.772 -12.050
  593   HH22  ARG  90          2HH2      ARG  90  10.949   7.510 -13.745
  594    HA   PRO  91           HA       PRO  91   2.568   8.610  -6.883
  595    HB3  PRO  91           1HB      PRO  91   2.684   7.997  -4.736
  596    HG3  PRO  91           1HG      PRO  91   4.509   6.682  -3.909
  597    HD3  PRO  91           1HD      PRO  91   3.798   5.551  -5.869
  598    H    GLY  92           H        GLY  92   2.849  10.572  -7.851
  599    HA2  GLY  92           1HA      GLY  92   5.505  11.505  -8.684
  600    HA3  GLY  92           2HA      GLY  92   3.930  12.245  -9.061
  601    H    SER  93           H        SER  93   3.104  12.462  -6.284
  602    HA   SER  93           HA       SER  93   4.881  13.917  -4.621
  603    HB3  SER  93           1HB      SER  93   2.898  15.714  -6.071
  604    HG   SER  93           HG       SER  93   4.170  17.324  -4.987
  605    H    ALA  94           H        ALA  94   3.659  14.904  -2.759
  606    HA   ALA  94           HA       ALA  94   1.676  13.163  -1.712
  607    HB1  ALA  94           3HB      ALA  94   3.203  14.619  -0.383
  608    HB2  ALA  94           1HB      ALA  94   2.315  16.055  -0.966
  609    HB3  ALA  94           2HB      ALA  94   1.507  14.832   0.064
  610    H    SER  95           H        SER  95   1.238  16.134  -3.626
  611    HA   SER  95           HA       SER  95  -1.573  16.430  -3.295
  612    HB3  SER  95           1HB      SER  95  -0.249  18.131  -4.390
  613    HG   SER  95           HG       SER  95   0.647  17.693  -6.484
  614    H    VAL  96           H        VAL  96   0.205  14.085  -5.262
  615    HA   VAL  96           HA       VAL  96  -2.217  13.143  -6.684
  616    HB   VAL  96           HB       VAL  96   0.623  12.003  -6.654
  617   HG11  VAL  96          1HG1      VAL  96  -1.724  11.488  -8.532
  618   HG12  VAL  96          2HG1      VAL  96  -0.061  10.892  -8.769
  619   HG13  VAL  96          3HG1      VAL  96  -0.991  10.322  -7.385
  620   HG21  VAL  96          3HG2      VAL  96   0.903  13.087  -8.862
  621   HG22  VAL  96          1HG2      VAL  96  -0.674  13.890  -8.676
  622   HG23  VAL  96          2HG2      VAL  96   0.676  14.285  -7.591
  623    H    LEU  97           H        LEU  97  -0.057  12.068  -4.058
  624    HA   LEU  97           HA       LEU  97  -1.389   9.516  -3.735
  625    HB3  LEU  97           1HB      LEU  97   0.063  10.486  -1.374
  626    HG   LEU  97           HG       LEU  97   0.678   8.341  -3.492
  627   HD11  LEU  97          1HD1      LEU  97   2.674   8.978  -2.290
  628   HD12  LEU  97          2HD1      LEU  97   2.163   7.355  -1.893
  629   HD13  LEU  97          3HD1      LEU  97   1.876   8.666  -0.727
  630   HD21  LEU  97          3HD2      LEU  97  -0.149   6.882  -1.443
  631   HD22  LEU  97          1HD2      LEU  97  -1.341   7.650  -2.519
  632   HD23  LEU  97          2HD2      LEU  97  -0.951   8.372  -0.959
  633    H    GLU  98           H        GLU  98  -1.534  12.561  -1.824
  634    HA   GLU  98           HA       GLU  98  -3.575  11.839  -0.026
  635    HB3  GLU  98           1HB      GLU  98  -4.073  14.297   0.041
  636    HG3  GLU  98           1HG      GLU  98  -1.085  13.674   0.192
  637    H    GLU  99           H        GLU  99  -3.898  13.176  -3.358
  638    HA   GLU  99           HA       GLU  99  -6.691  13.510  -3.450
  639    HB3  GLU  99           1HB      GLU  99  -4.621  12.815  -5.560
  640    HG3  GLU  99           1HG      GLU  99  -7.568  13.350  -5.949
  641    H    ALA 100           H        ALA 100  -4.758  10.548  -3.928
  642    HA   ALA 100           HA       ALA 100  -7.143   8.953  -4.559
  643    HB1  ALA 100           3HB      ALA 100  -4.317   8.118  -3.801
  644    HB2  ALA 100           1HB      ALA 100  -5.584   7.062  -4.460
  645    HB3  ALA 100           2HB      ALA 100  -4.929   8.380  -5.456
  646    H    PHE 101           H        PHE 101  -5.129   9.537  -1.613
  647    HA   PHE 101           HA       PHE 101  -6.378   7.583   0.028
  648    HB3  PHE 101           1HB      PHE 101  -5.732   9.531   1.781
  649    HD1  PHE 101           HD1      PHE 101  -3.252   7.930  -0.684
  650    HD2  PHE 101           HD2      PHE 101  -4.987   7.937   3.291
  651    HE1  PHE 101           HE1      PHE 101  -1.625   6.274   0.055
  652    HE2  PHE 101           HE2      PHE 101  -3.339   6.237   3.989
  653    HZ   PHE 101           HZ       PHE 101  -1.623   5.432   2.334
  654    H    GLU 102           H        GLU 102  -7.199  11.079  -0.317
  655    HA   GLU 102           HA       GLU 102  -9.477  10.991   1.381
  656    HB3  GLU 102           1HB      GLU 102  -8.569  13.104   0.842
  657    HG3  GLU 102           1HG      GLU 102  -8.417  12.259  -1.873
  658    H    SER 103           H        SER 103  -9.166  10.154  -2.047
  659    HA   SER 103           HA       SER 103 -12.002   9.977  -2.537
  660    HB3  SER 103           1HB      SER 103  -9.739   8.550  -3.978
  661    HG   SER 103           HG       SER 103 -11.226   8.771  -5.759
  662    H    LEU 104           H        LEU 104  -9.645   7.675  -1.198
  663    HA   LEU 104           HA       LEU 104 -11.657   5.469  -1.344
  664    HB3  LEU 104           1HB      LEU 104  -9.698   4.088  -0.518
  665    HG   LEU 104           HG       LEU 104  -8.836   3.609  -2.543
  666   HD11  LEU 104          1HD1      LEU 104 -11.218   5.173  -3.588
  667   HD12  LEU 104          2HD1      LEU 104 -11.398   3.671  -2.637
  668   HD13  LEU 104          3HD1      LEU 104 -10.556   3.644  -4.182
  669   HD21  LEU 104          3HD2      LEU 104  -7.633   5.699  -2.971
  670   HD22  LEU 104          1HD2      LEU 104  -9.160   6.454  -3.509
  671   HD23  LEU 104          2HD2      LEU 104  -8.462   5.152  -4.434
  672    H    VAL 105           H        VAL 105 -10.153   7.542   1.034
  673    HA   VAL 105           HA       VAL 105 -11.166   6.080   3.306
  674    HB   VAL 105           HB       VAL 105  -9.294   7.945   3.113
  675   HG11  VAL 105          1HG1      VAL 105 -11.612   9.646   4.061
  676   HG12  VAL 105          2HG1      VAL 105  -9.926  10.143   3.875
  677   HG13  VAL 105          3HG1      VAL 105 -10.896   9.753   2.447
  678   HG21  VAL 105          3HG2      VAL 105 -11.019   7.818   5.585
  679   HG22  VAL 105          1HG2      VAL 105  -9.845   6.567   5.085
  680   HG23  VAL 105          2HG2      VAL 105  -9.282   8.201   5.460
  681    H    GLY 106           H        GLY 106 -12.574   8.380   1.072
  682    HA2  GLY 106           1HA      GLY 106 -14.857   8.671   0.716
  683    HA3  GLY 106           2HA      GLY 106 -15.230   8.199   2.389
  684    H    GLU 107           H        GLU 107 -12.686  10.501   2.131
  685    HA   GLU 107           HA       GLU 107 -14.398  12.676   3.176
  686    HB3  GLU 107           1HB      GLU 107 -12.058  13.817   3.272
  687    HG3  GLU 107           1HG      GLU 107 -11.373  12.515   5.301
  688    H    GLY 108           H        GLY 108 -12.982  11.728   0.146
  689    HA2  GLY 108           1HA      GLY 108 -12.862  14.305  -1.130
  690    HA3  GLY 108           2HA      GLY 108 -12.829  12.707  -1.907
  Start of MODEL    4
    1    H1   MET   1           H        MET   1   9.691   8.432   6.656
    2    HA   MET   1           HA       MET   1   8.263   6.526   5.601
    3    HB3  MET   1           1HB      MET   1  10.678   6.424   5.497
    4    HG3  MET   1           1HG      MET   1  10.532   5.316   8.327
    5    HE1  MET   1           3HE      MET   1  13.496   7.064   6.455
    6    HE2  MET   1           1HE      MET   1  14.493   5.700   5.922
    7    HE3  MET   1           2HE      MET   1  12.933   5.999   5.142
    8    H    LYS   2           H        LYS   2   8.048   6.914   8.937
    9    HA   LYS   2           HA       LYS   2   7.119   5.754  10.686
   10    HB3  LYS   2           1HB      LYS   2   4.848   4.868  10.238
   11    HG3  LYS   2           1HG      LYS   2   5.377   7.475   8.783
   12    HD3  LYS   2           1HD      LYS   2   2.931   6.474  10.323
   13    HE3  LYS   2           1HE      LYS   2   1.809   8.380   9.123
   14    HZ1  LYS   2           3HZ      LYS   2   2.664  10.124  10.520
   15    HZ2  LYS   2           1HZ      LYS   2   4.018   9.290  10.893
   16    HZ3  LYS   2           2HZ      LYS   2   2.556   8.754  11.414
   17    H    THR   3           H        THR   3   5.511   3.077   9.812
   18    HA   THR   3           HA       THR   3   7.517   1.387  11.061
   19    HB   THR   3           HB       THR   3   5.625  -0.352  10.815
   20    HG1  THR   3           HG1      THR   3   3.582   0.998  10.694
   21   HG21  THR   3          3HG2      THR   3   6.173   0.864  12.900
   22   HG22  THR   3          1HG2      THR   3   4.429   0.607  12.723
   23   HG23  THR   3          2HG2      THR   3   5.130   2.211  12.393
   24    H    ARG   4           H        ARG   4   8.275  -0.574  10.356
   25    HA   ARG   4           HA       ARG   4   9.354  -0.322   7.658
   26    HB3  ARG   4           1HB      ARG   4  10.769  -2.292   8.510
   27    HG3  ARG   4           1HG      ARG   4  11.700  -0.063   8.514
   28    HD3  ARG   4           1HD      ARG   4  10.136   1.279   9.847
   29    HE   ARG   4           HE       ARG   4  10.598  -0.708  11.898
   30   HH11  ARG   4          1HH1      ARG   4   9.895   2.746  11.558
   31   HH12  ARG   4          2HH1      ARG   4   9.471   2.906  13.236
   32   HH21  ARG   4          1HH2      ARG   4   9.894  -0.457  14.020
   33   HH22  ARG   4          2HH2      ARG   4   9.395   1.114  14.578
   34    H    TYR   5           H        TYR   5   9.794  -2.319   6.370
   35    HA   TYR   5           HA       TYR   5   7.319  -3.579   5.608
   36    HB3  TYR   5           1HB      TYR   5   9.097  -4.958   4.176
   37    HD1  TYR   5           HD1      TYR   5   9.494  -1.243   4.183
   38    HD2  TYR   5           HD2      TYR   5   7.463  -4.649   2.518
   39    HE1  TYR   5           HE1      TYR   5   8.517   0.211   2.405
   40    HE2  TYR   5           HE2      TYR   5   6.451  -3.186   0.764
   41    HH   TYR   5           HH       TYR   5   7.383   0.266   0.430
   42    H    SER   6           H        SER   6   6.832  -5.859   5.413
   43    HA   SER   6           HA       SER   6   8.234  -7.614   7.388
   44    HB3  SER   6           1HB      SER   6   5.231  -7.369   7.035
   45    HG   SER   6           HG       SER   6   5.367  -8.605   9.069
   46    H    ALA   7           H        ALA   7   8.669  -9.610   6.709
   47    HA   ALA   7           HA       ALA   7   7.601 -10.698   4.202
   48    HB1  ALA   7           3HB      ALA   7   9.418 -11.888   6.347
   49    HB2  ALA   7           1HB      ALA   7   9.082 -12.596   4.755
   50    HB3  ALA   7           2HB      ALA   7   9.960 -11.061   4.867
   51    H    GLU   8           H        GLU   8   6.522 -10.582   7.474
   52    HA   GLU   8           HA       GLU   8   5.256 -13.218   7.503
   53    HB3  GLU   8           1HB      GLU   8   4.581 -12.624   9.773
   54    HG3  GLU   8           1HG      GLU   8   6.746 -12.103  10.838
   55    H    ALA   9           H        ALA   9   4.407 -11.176   5.521
   56    HA   ALA   9           HA       ALA   9   1.819 -10.159   6.127
   57    HB1  ALA   9           3HB      ALA   9   1.600  -9.959   3.636
   58    HB2  ALA   9           1HB      ALA   9   3.146  -9.316   4.241
   59    HB3  ALA   9           2HB      ALA   9   3.080 -10.914   3.447
   60    HA   PRO  10           HA       PRO  10  -0.929 -13.653   5.813
   61    HB3  PRO  10           1HB      PRO  10  -2.604 -12.169   6.393
   62    HG3  PRO  10           1HG      PRO  10  -2.720  -9.966   5.383
   63    HD3  PRO  10           1HD      PRO  10  -0.638 -10.250   6.490
   64    H    ALA  11           H        ALA  11  -2.042 -15.059   4.353
   65    HA   ALA  11           HA       ALA  11  -1.152 -15.080   1.541
   66    HB1  ALA  11           3HB      ALA  11  -2.541 -17.136   1.455
   67    HB2  ALA  11           1HB      ALA  11  -1.445 -17.188   2.845
   68    HB3  ALA  11           2HB      ALA  11  -3.164 -16.792   3.086
   69    H    ARG  12           H        ARG  12  -2.631 -14.951  -0.277
   70    HA   ARG  12           HA       ARG  12  -4.280 -12.672  -0.071
   71    HB3  ARG  12           1HB      ARG  12  -4.178 -14.723  -2.314
   72    HG3  ARG  12           1HG      ARG  12  -6.036 -13.246  -2.796
   73    HD3  ARG  12           1HD      ARG  12  -4.154 -10.866  -2.423
   74    HE   ARG  12           HE       ARG  12  -5.812  -9.972  -3.761
   75   HH11  ARG  12          1HH1      ARG  12  -7.457 -12.009  -1.331
   76   HH12  ARG  12          2HH1      ARG  12  -9.031 -11.455  -1.854
   77   HH21  ARG  12          1HH2      ARG  12  -7.917  -9.290  -4.279
   78   HH22  ARG  12          2HH2      ARG  12  -9.265  -9.936  -3.387
   79    H    ASP  13           H        ASP  13  -5.184 -16.030   0.303
   80    HA   ASP  13           HA       ASP  13  -8.050 -15.647   0.178
   81    HB3  ASP  13           1HB      ASP  13  -8.104 -17.863   1.315
   82    H    GLU  14           H        GLU  14  -5.643 -15.226   2.758
   83    HA   GLU  14           HA       GLU  14  -7.614 -14.930   4.922
   84    HB3  GLU  14           1HB      GLU  14  -5.618 -14.177   6.201
   85    HG3  GLU  14           1HG      GLU  14  -5.061 -16.736   4.647
   86    H    LEU  15           H        LEU  15  -5.647 -12.894   2.775
   87    HA   LEU  15           HA       LEU  15  -6.292 -10.318   3.752
   88    HB3  LEU  15           1HB      LEU  15  -5.973 -11.042   0.830
   89    HG   LEU  15           HG       LEU  15  -6.064  -8.559   1.844
   90   HD11  LEU  15          1HD1      LEU  15  -3.802  -7.707   2.288
   91   HD12  LEU  15          2HD1      LEU  15  -3.133  -9.333   2.058
   92   HD13  LEU  15          3HD1      LEU  15  -4.177  -8.992   3.467
   93   HD21  LEU  15          3HD2      LEU  15  -5.753  -9.039  -0.518
   94   HD22  LEU  15          1HD2      LEU  15  -4.054  -9.510  -0.225
   95   HD23  LEU  15          2HD2      LEU  15  -4.568  -7.827   0.018
   96    H    ASP  16           H        ASP  16  -8.056 -12.449   1.522
   97    HA   ASP  16           HA       ASP  16  -9.929 -10.599   0.506
   98    HB3  ASP  16           1HB      ASP  16 -10.561 -13.540   0.966
   99    H    ARG  17           H        ARG  17  -9.792 -12.108   3.581
  100    HA   ARG  17           HA       ARG  17 -12.662 -11.857   4.217
  101    HB3  ARG  17           1HB      ARG  17 -11.901 -13.002   6.333
  102    HG3  ARG  17           1HG      ARG  17 -11.160 -14.267   3.646
  103    HD3  ARG  17           1HD      ARG  17 -11.411 -15.588   6.359
  104    HE   ARG  17           HE       ARG  17 -11.687 -16.649   3.692
  105   HH11  ARG  17          1HH1      ARG  17 -10.269 -17.505   6.807
  106   HH12  ARG  17          2HH1      ARG  17 -10.312 -19.216   6.474
  107   HH21  ARG  17          1HH2      ARG  17 -11.726 -18.863   3.311
  108   HH22  ARG  17          2HH2      ARG  17 -11.156 -19.969   4.526
  109    H    LEU  18           H        LEU  18  -9.944  -9.812   4.410
  110    HA   LEU  18           HA       LEU  18 -10.606  -8.404   6.854
  111    HB3  LEU  18           1HB      LEU  18  -8.446  -8.288   5.593
  112    HG   LEU  18           HG       LEU  18  -9.408  -7.406   3.341
  113   HD11  LEU  18          1HD1      LEU  18 -10.777  -5.506   3.960
  114   HD12  LEU  18          2HD1      LEU  18  -9.344  -4.868   3.185
  115   HD13  LEU  18          3HD1      LEU  18  -9.474  -4.821   4.954
  116   HD21  LEU  18          3HD2      LEU  18  -7.106  -5.961   4.737
  117   HD22  LEU  18          1HD2      LEU  18  -7.330  -6.085   2.978
  118   HD23  LEU  18          2HD2      LEU  18  -6.998  -7.543   3.931
  119    H    ALA  19           H        ALA  19 -11.472  -6.112   6.950
  120    HA   ALA  19           HA       ALA  19 -13.722  -5.701   5.011
  121    HB1  ALA  19           3HB      ALA  19 -14.537  -6.934   6.972
  122    HB2  ALA  19           1HB      ALA  19 -13.926  -5.655   8.053
  123    HB3  ALA  19           2HB      ALA  19 -15.231  -5.310   6.890
  124    H    GLY  20           H        GLY  20 -11.680  -4.072   7.471
  125    HA2  GLY  20           1HA      GLY  20 -12.833  -1.470   6.894
  126    HA3  GLY  20           2HA      GLY  20 -11.407  -1.796   7.910
  127    HA   PRO  21           HA       PRO  21 -10.255   0.089   3.698
  128    HB3  PRO  21           1HB      PRO  21 -11.075   2.211   4.054
  129    HG3  PRO  21           1HG      PRO  21 -11.413   3.052   6.254
  130    HD3  PRO  21           1HD      PRO  21 -12.529   0.975   6.227
  131    H    THR  22           H        THR  22  -8.498  -1.099   3.364
  132    HA   THR  22           HA       THR  22  -6.073  -0.769   5.112
  133    HB   THR  22           HB       THR  22  -7.105  -3.354   3.900
  134    HG1  THR  22           HG1      THR  22  -8.301  -2.713   5.675
  135   HG21  THR  22          3HG2      THR  22  -5.298  -4.371   5.324
  136   HG22  THR  22          1HG2      THR  22  -4.698  -2.737   5.670
  137   HG23  THR  22          2HG2      THR  22  -4.659  -3.371   4.009
  138    H    LEU  23           H        LEU  23  -4.498   0.119   3.970
  139    HA   LEU  23           HA       LEU  23  -4.349  -0.299   1.047
  140    HB3  LEU  23           1HB      LEU  23  -2.571   1.288   2.954
  141    HG   LEU  23           HG       LEU  23  -1.374   0.885   0.884
  142   HD11  LEU  23          1HD1      LEU  23  -2.572   1.920  -1.268
  143   HD12  LEU  23          2HD1      LEU  23  -4.012   1.486  -0.363
  144   HD13  LEU  23          3HD1      LEU  23  -2.804   0.243  -0.763
  145   HD21  LEU  23          3HD2      LEU  23  -1.198   3.083   1.852
  146   HD22  LEU  23          1HD2      LEU  23  -2.584   3.650   0.885
  147   HD23  LEU  23          2HD2      LEU  23  -1.059   3.151   0.098
  148    H    VAL  24           H        VAL  24  -3.110  -1.815   0.132
  149    HA   VAL  24           HA       VAL  24  -1.108  -3.286   1.801
  150    HB   VAL  24           HB       VAL  24  -2.540  -4.258  -0.706
  151   HG11  VAL  24          1HG1      VAL  24  -0.830  -5.769   1.329
  152   HG12  VAL  24          2HG1      VAL  24  -1.666  -6.469  -0.075
  153   HG13  VAL  24          3HG1      VAL  24  -0.333  -5.336  -0.324
  154   HG21  VAL  24          3HG2      VAL  24  -3.073  -4.928   2.221
  155   HG22  VAL  24          1HG2      VAL  24  -4.168  -4.054   1.132
  156   HG23  VAL  24          2HG2      VAL  24  -3.805  -5.749   0.818
  157    H    GLU  25           H        GLU  25   0.874  -2.721   1.428
  158    HA   GLU  25           HA       GLU  25   1.698  -1.514  -1.163
  159    HB3  GLU  25           1HB      GLU  25   2.572  -1.089   1.713
  160    HG3  GLU  25           1HG      GLU  25   3.982  -0.247  -0.829
  161    H    PHE  26           H        PHE  26   3.301  -2.342  -2.317
  162    HA   PHE  26           HA       PHE  26   4.768  -4.730  -1.319
  163    HB3  PHE  26           1HB      PHE  26   4.892  -5.464  -3.586
  164    HD1  PHE  26           HD1      PHE  26   3.248  -6.971  -2.316
  165    HD2  PHE  26           HD2      PHE  26   2.004  -3.411  -4.405
  166    HE1  PHE  26           HE1      PHE  26   0.856  -7.674  -2.154
  167    HE2  PHE  26           HE2      PHE  26  -0.348  -4.109  -4.177
  168    HZ   PHE  26           HZ       PHE  26  -0.932  -6.212  -3.033
  169    H    GLY  27           H        GLY  27   6.948  -4.748  -1.351
  170    HA2  GLY  27           1HA      GLY  27   8.881  -3.562  -2.827
  171    HA3  GLY  27           2HA      GLY  27   8.395  -2.226  -1.798
  172    H    THR  28           H        THR  28  10.565  -2.295  -0.868
  173    HA   THR  28           HA       THR  28  10.721  -4.133   1.442
  174    HB   THR  28           HB       THR  28  13.099  -4.482   1.200
  175    HG1  THR  28           HG1      THR  28  14.087  -3.843  -0.814
  176   HG21  THR  28          3HG2      THR  28  11.752  -5.290  -1.402
  177   HG22  THR  28          1HG2      THR  28  11.617  -6.158   0.142
  178   HG23  THR  28          2HG2      THR  28  13.179  -6.031  -0.670
  179    H    ASP  29           H        ASP  29  12.684  -3.245   2.900
  180    HA   ASP  29           HA       ASP  29  11.969  -0.415   3.388
  181    HB3  ASP  29           1HB      ASP  29  13.804  -2.234   4.992
  182    H    TRP  30           H        TRP  30  14.177  -1.934   1.437
  183    HA   TRP  30           HA       TRP  30  16.367   0.040   1.915
  184    HB3  TRP  30           1HB      TRP  30  17.009  -2.007   2.881
  185    HD1  TRP  30           HD       TRP  30  15.595  -4.144   3.259
  186    HE1  TRP  30           HE1      TRP  30  15.153  -6.281   1.926
  187    HE3  TRP  30           HE3      TRP  30  17.566  -2.708  -1.252
  188    HZ2  TRP  30           HZ2      TRP  30  15.482  -7.212  -0.802
  189    HZ3  TRP  30           HZ3      TRP  30  17.476  -4.220  -3.186
  190    HH2  TRP  30           HH       TRP  30  16.425  -6.479  -2.994
  191    H    CYS  31           H        CYS  31  14.325  -1.180  -0.645
  192    HA   CYS  31           HA       CYS  31  16.251  -0.630  -2.775
  193    HB2  CYS  31           1HB      CYS  31  14.400  -2.235  -3.068
  194    HB3  CYS  31           2HB      CYS  31  13.236  -0.927  -2.879
  195    H    GLY  32           H        GLY  32  16.351   1.132  -4.130
  196    HA2  GLY  32           1HA      GLY  32  15.963   3.771  -3.073
  197    HA3  GLY  32           2HA      GLY  32  16.416   3.354  -4.736
  198    H    HIS  33           H        HIS  33  13.888   1.794  -5.141
  199    HA   HIS  33           HA       HIS  33  11.958   3.816  -5.898
  200    HB2  HIS  33           1HB      HIS  33  11.867   0.812  -5.364
  201    HB3  HIS  33           2HB      HIS  33  10.415   1.711  -5.724
  202    HD1  HIS  33           HD1      HIS  33  12.032  -0.606  -7.546
  203    HD2  HIS  33           HD2      HIS  33  11.226   3.477  -8.186
  204    HE1  HIS  33           HE1      HIS  33  11.785  -0.304 -10.068
  205    H    CYS  34           H        CYS  34  12.223   1.668  -3.055
  206    HA   CYS  34           HA       CYS  34   9.850   2.694  -1.759
  207    HB3  CYS  34           1HB      CYS  34  11.197   1.496   0.221
  208    HG   CYS  34           HG       CYS  34  10.009  -0.637  -0.177
  209    H    GLN  35           H        GLN  35  13.269   3.668  -1.604
  210    HA   GLN  35           HA       GLN  35  12.989   5.119   0.849
  211    HB3  GLN  35           1HB      GLN  35  15.058   6.286   0.255
  212    HG3  GLN  35           1HG      GLN  35  16.591   4.535  -0.073
  213   HE21  GLN  35          2HE2      GLN  35  14.425   1.942   0.133
  214   HE22  GLN  35          1HE2      GLN  35  14.441   1.822   1.901
  215    H    ALA  36           H        ALA  36  12.019   5.851  -2.348
  216    HA   ALA  36           HA       ALA  36  11.491   8.729  -1.901
  217    HB1  ALA  36           3HB      ALA  36  10.960   6.852  -4.278
  218    HB2  ALA  36           1HB      ALA  36  10.753   8.619  -4.277
  219    HB3  ALA  36           2HB      ALA  36  12.368   7.908  -4.086
  220    H    ALA  37           H        ALA  37   9.623   5.682  -2.217
  221    HA   ALA  37           HA       ALA  37   7.072   7.125  -2.064
  222    HB1  ALA  37           3HB      ALA  37   7.376   5.209  -3.559
  223    HB2  ALA  37           1HB      ALA  37   7.688   4.150  -2.163
  224    HB3  ALA  37           2HB      ALA  37   6.084   4.921  -2.377
  225    H    GLN  38           H        GLN  38   9.102   5.306   0.208
  226    HA   GLN  38           HA       GLN  38   7.122   4.808   2.211
  227    HB3  GLN  38           1HB      GLN  38   9.184   4.884   3.753
  228    HG3  GLN  38           1HG      GLN  38   9.211   2.943   1.398
  229   HE21  GLN  38          2HE2      GLN  38   9.290   2.019   4.821
  230   HE22  GLN  38          1HE2      GLN  38  10.968   1.502   4.812
  231    HA   PRO  39           HA       PRO  39   8.092   8.975   4.316
  232    HB3  PRO  39           1HB      PRO  39  10.237   9.741   3.978
  233    HG3  PRO  39           1HG      PRO  39  11.302   9.516   1.841
  234    HD3  PRO  39           1HD      PRO  39  10.624   7.340   2.514
  235    H    LEU  40           H        LEU  40   7.182   8.582   0.993
  236    HA   LEU  40           HA       LEU  40   5.475  10.936   0.731
  237    HB3  LEU  40           1HB      LEU  40   4.716   8.512  -0.797
  238    HG   LEU  40           HG       LEU  40   4.874   9.730  -2.701
  239   HD11  LEU  40          1HD1      LEU  40   3.485  11.554  -2.414
  240   HD12  LEU  40          2HD1      LEU  40   4.197  12.036  -0.860
  241   HD13  LEU  40          3HD1      LEU  40   3.132  10.619  -0.963
  242   HD21  LEU  40          3HD2      LEU  40   6.646  11.778  -1.313
  243   HD22  LEU  40          1HD2      LEU  40   6.065  11.878  -2.989
  244   HD23  LEU  40          2HD2      LEU  40   7.138  10.564  -2.514
  245    H    LEU  41           H        LEU  41   4.872   7.450   1.290
  246    HA   LEU  41           HA       LEU  41   2.124   7.694   1.930
  247    HB3  LEU  41           1HB      LEU  41   2.698   5.484   3.305
  248    HG   LEU  41           HG       LEU  41   2.387   4.085   1.484
  249   HD11  LEU  41          1HD1      LEU  41   0.447   5.538   1.961
  250   HD12  LEU  41          2HD1      LEU  41   0.502   4.915   0.301
  251   HD13  LEU  41          3HD1      LEU  41   0.934   6.596   0.627
  252   HD21  LEU  41          3HD2      LEU  41   2.694   4.809  -0.870
  253   HD22  LEU  41          1HD2      LEU  41   4.196   4.735   0.067
  254   HD23  LEU  41          2HD2      LEU  41   3.464   6.303  -0.274
  255    H    ALA  42           H        ALA  42   4.994   7.796   4.009
  256    HA   ALA  42           HA       ALA  42   3.710   8.068   6.514
  257    HB1  ALA  42           3HB      ALA  42   6.297   9.343   5.525
  258    HB2  ALA  42           1HB      ALA  42   5.838   9.129   7.215
  259    HB3  ALA  42           2HB      ALA  42   6.132   7.706   6.185
  260    H    GLU  43           H        GLU  43   4.352  10.629   4.081
  261    HA   GLU  43           HA       GLU  43   3.424  12.786   5.786
  262    HB3  GLU  43           1HB      GLU  43   3.245  14.003   3.511
  263    HG3  GLU  43           1HG      GLU  43   5.781  13.877   3.170
  264    H    VAL  44           H        VAL  44   1.833  10.868   3.166
  265    HA   VAL  44           HA       VAL  44  -0.666  12.295   3.435
  266    HB   VAL  44           HB       VAL  44  -0.336  11.336   1.367
  267   HG11  VAL  44          1HG1      VAL  44  -0.089   8.559   2.540
  268   HG12  VAL  44          2HG1      VAL  44  -0.131   9.025   0.835
  269   HG13  VAL  44          3HG1      VAL  44   1.194   9.561   1.822
  270   HG21  VAL  44          3HG2      VAL  44  -2.347   9.481   2.688
  271   HG22  VAL  44          1HG2      VAL  44  -2.687  11.162   2.269
  272   HG23  VAL  44          2HG2      VAL  44  -2.309  10.003   0.993
  273    H    PHE  45           H        PHE  45   0.308   9.066   4.666
  274    HA   PHE  45           HA       PHE  45  -2.119   8.335   5.880
  275    HB3  PHE  45           1HB      PHE  45  -0.256   7.200   7.579
  276    HD1  PHE  45           HD2      PHE  45  -2.550   6.043   7.316
  277    HD2  PHE  45           HD1      PHE  45   0.654   5.753   4.437
  278    HE1  PHE  45           HE2      PHE  45  -3.419   3.865   6.520
  279    HE2  PHE  45           HE1      PHE  45  -0.217   3.586   3.700
  280    HZ   PHE  45           HZ       PHE  45  -2.292   2.656   4.686
  281    H    SER  46           H        SER  46   0.237  10.626   7.133
  282    HA   SER  46           HA       SER  46  -0.551  10.587   9.894
  283    HB3  SER  46           1HB      SER  46   0.455  12.858   9.949
  284    HG   SER  46           HG       SER  46   2.174  11.243   8.393
  285    H    ASP  47           H        ASP  47  -2.272  11.848   7.101
  286    HA   ASP  47           HA       ASP  47  -4.145  13.370   8.854
  287    HB3  ASP  47           1HB      ASP  47  -4.157  13.182   5.829
  288    H    TYR  48           H        TYR  48  -3.793  10.246   7.622
  289    HA   TYR  48           HA       TYR  48  -6.720   9.658   7.843
  290    HB3  TYR  48           1HB      TYR  48  -6.624   8.163   5.960
  291    HD1  TYR  48           HD2      TYR  48  -8.197  10.125   5.508
  292    HD2  TYR  48           HD1      TYR  48  -4.019  10.208   4.508
  293    HE1  TYR  48           HE2      TYR  48  -8.603  12.033   3.969
  294    HE2  TYR  48           HE1      TYR  48  -4.385  12.222   3.110
  295    HH   TYR  48           HH       TYR  48  -5.903  13.713   2.287
  296    HA   PRO  49           HA       PRO  49  -3.810   6.776  10.319
  297    HB3  PRO  49           1HB      PRO  49  -3.366   8.196  12.052
  298    HG3  PRO  49           1HG      PRO  49  -4.885   9.965  12.634
  299    HD3  PRO  49           1HD      PRO  49  -4.372  10.174  10.336
  300    H    GLU  50           H        GLU  50  -7.295   7.311  10.219
  301    HA   GLU  50           HA       GLU  50  -8.074   4.826  11.406
  302    HB3  GLU  50           1HB      GLU  50  -9.574   6.745  11.169
  303    HG3  GLU  50           1HG      GLU  50  -9.739   6.045   8.199
  304    H    VAL  51           H        VAL  51  -6.521   5.393   8.377
  305    HA   VAL  51           HA       VAL  51  -7.518   2.894   7.107
  306    HB   VAL  51           HB       VAL  51  -5.407   4.871   6.164
  307   HG11  VAL  51          1HG1      VAL  51  -5.661   3.796   3.949
  308   HG12  VAL  51          2HG1      VAL  51  -5.042   2.670   5.146
  309   HG13  VAL  51          3HG1      VAL  51  -6.747   2.577   4.657
  310   HG21  VAL  51          3HG2      VAL  51  -7.645   5.923   6.198
  311   HG22  VAL  51          1HG2      VAL  51  -7.110   5.622   4.537
  312   HG23  VAL  51          2HG2      VAL  51  -8.305   4.545   5.292
  313    H    GLY  52           H        GLY  52  -6.260   1.006   6.998
  314    HA2  GLY  52           1HA      GLY  52  -3.902   0.781   8.824
  315    HA3  GLY  52           2HA      GLY  52  -4.836  -0.554   8.109
  316    H    HIS  53           H        HIS  53  -1.906  -0.239   8.054
  317    HA   HIS  53           HA       HIS  53  -1.564  -0.232   5.086
  318    HB2  HIS  53           1HB      HIS  53  -0.626   1.851   6.378
  319    HB3  HIS  53           2HB      HIS  53   0.624   0.765   6.928
  320    HD1  HIS  53           HD1      HIS  53   2.396   2.289   5.437
  321    HD2  HIS  53           HD2      HIS  53  -0.613   0.279   3.294
  322    HE1  HIS  53           HE1      HIS  53   3.064   2.332   2.946
  323    H    LEU  54           H        LEU  54  -1.094  -2.291   4.503
  324    HA   LEU  54           HA       LEU  54   0.652  -3.949   6.251
  325    HB3  LEU  54           1HB      LEU  54  -0.674  -4.947   3.720
  326    HG   LEU  54           HG       LEU  54  -0.897  -7.017   4.793
  327   HD11  LEU  54          1HD1      LEU  54   1.786  -6.071   5.892
  328   HD12  LEU  54          2HD1      LEU  54   1.501  -6.505   4.202
  329   HD13  LEU  54          3HD1      LEU  54   1.306  -7.720   5.478
  330   HD21  LEU  54          3HD2      LEU  54  -0.173  -5.732   7.453
  331   HD22  LEU  54          1HD2      LEU  54  -0.561  -7.438   7.174
  332   HD23  LEU  54          2HD2      LEU  54  -1.803  -6.206   6.922
  333    H    LYS  55           H        LYS  55   2.791  -3.734   5.829
  334    HA   LYS  55           HA       LYS  55   3.744  -2.991   3.096
  335    HB3  LYS  55           1HB      LYS  55   5.937  -2.852   4.207
  336    HG3  LYS  55           1HG      LYS  55   4.563  -0.812   3.919
  337    HD3  LYS  55           1HD      LYS  55   2.831  -1.007   5.590
  338    HE3  LYS  55           1HE      LYS  55   5.037  -0.948   7.710
  339    HZ1  LYS  55           3HZ      LYS  55   2.079  -1.197   7.971
  340    HZ2  LYS  55           1HZ      LYS  55   3.005   0.097   8.445
  341    HZ3  LYS  55           2HZ      LYS  55   3.144  -1.335   9.208
  342    H    VAL  56           H        VAL  56   3.740  -4.771   1.835
  343    HA   VAL  56           HA       VAL  56   4.607  -7.408   2.898
  344    HB   VAL  56           HB       VAL  56   3.598  -6.677   0.103
  345   HG11  VAL  56          1HG1      VAL  56   3.930  -9.352   1.542
  346   HG12  VAL  56          2HG1      VAL  56   3.115  -9.149  -0.016
  347   HG13  VAL  56          3HG1      VAL  56   4.842  -8.795   0.125
  348   HG21  VAL  56          3HG2      VAL  56   1.989  -7.850   2.401
  349   HG22  VAL  56          1HG2      VAL  56   1.823  -6.191   1.763
  350   HG23  VAL  56          2HG2      VAL  56   1.426  -7.558   0.743
  351    H    GLU  57           H        GLU  57   6.583  -7.960   2.920
  352    HA   GLU  57           HA       GLU  57   8.576  -6.606   1.419
  353    HB3  GLU  57           1HB      GLU  57   9.024  -9.264   2.771
  354    HG3  GLU  57           1HG      GLU  57  10.534  -6.637   2.560
  355    H    ASP  58           H        ASP  58   8.794  -6.716  -0.651
  356    HA   ASP  58           HA       ASP  58   8.403  -9.155  -2.279
  357    HB3  ASP  58           1HB      ASP  58   9.056  -6.370  -3.274
  358    H    GLY  59           H        GLY  59  10.386  -8.207  -4.317
  359    HA2  GLY  59           1HA      GLY  59  12.804  -7.803  -4.466
  360    HA3  GLY  59           2HA      GLY  59  13.010  -8.723  -2.959
  361    HA   PRO  60           HA       PRO  60  13.855 -11.872  -6.168
  362    HB3  PRO  60           1HB      PRO  60  15.336 -13.428  -5.188
  363    HG3  PRO  60           1HG      PRO  60  16.254 -11.267  -4.652
  364    HD3  PRO  60           1HD      PRO  60  14.998  -9.680  -3.468
  365    H    GLY  61           H        GLY  61  11.871 -12.315  -3.229
  366    HA2  GLY  61           1HA      GLY  61  10.052 -14.226  -4.630
  367    HA3  GLY  61           2HA      GLY  61  10.002 -13.786  -2.917
  368    H    ARG  62           H        ARG  62   8.489 -13.306  -5.801
  369    HA   ARG  62           HA       ARG  62   7.676 -10.514  -5.424
  370    HB3  ARG  62           1HB      ARG  62   6.492 -12.275  -7.557
  371    HG3  ARG  62           1HG      ARG  62   7.230 -10.401  -9.027
  372    HD3  ARG  62           1HD      ARG  62   5.620  -9.234  -6.723
  373    HE   ARG  62           HE       ARG  62   5.189  -8.685  -9.612
  374   HH11  ARG  62          1HH1      ARG  62   6.422  -7.355  -6.548
  375   HH12  ARG  62          2HH1      ARG  62   6.487  -5.748  -7.188
  376   HH21  ARG  62          1HH2      ARG  62   5.368  -6.641 -10.382
  377   HH22  ARG  62          2HH2      ARG  62   5.999  -5.352  -9.412
  378    H    ARG  63           H        ARG  63   6.850 -12.286  -3.302
  379    HA   ARG  63           HA       ARG  63   4.333 -13.496  -3.675
  380    HB3  ARG  63           1HB      ARG  63   5.828 -12.686  -1.158
  381    HG3  ARG  63           1HG      ARG  63   3.300 -14.331  -1.527
  382    HD3  ARG  63           1HD      ARG  63   4.729 -15.898  -0.439
  383    HE   ARG  63           HE       ARG  63   6.580 -14.828   0.458
  384   HH11  ARG  63          1HH1      ARG  63   3.744 -13.927   2.425
  385   HH12  ARG  63          2HH1      ARG  63   4.772 -13.427   3.751
  386   HH21  ARG  63          1HH2      ARG  63   7.770 -14.116   2.250
  387   HH22  ARG  63          2HH2      ARG  63   6.913 -13.538   3.658
  388    H    LEU  64           H        LEU  64   2.339 -12.939  -3.403
  389    HA   LEU  64           HA       LEU  64   0.405 -11.840  -3.250
  390    HB3  LEU  64           1HB      LEU  64   1.625  -9.621  -1.628
  391    HG   LEU  64           HG       LEU  64  -0.912  -9.851  -2.165
  392   HD11  LEU  64          1HD1      LEU  64  -2.179 -11.408  -0.733
  393   HD12  LEU  64          2HD1      LEU  64  -0.669 -12.069  -0.087
  394   HD13  LEU  64          3HD1      LEU  64  -1.080 -12.299  -1.796
  395   HD21  LEU  64          3HD2      LEU  64  -1.621  -9.276   0.172
  396   HD22  LEU  64          1HD2      LEU  64  -0.235  -8.358  -0.391
  397   HD23  LEU  64          2HD2      LEU  64  -0.007  -9.716   0.750
  398    H    GLY  65           H        GLY  65   3.063  -9.488  -3.941
  399    HA2  GLY  65           1HA      GLY  65   1.465  -7.745  -5.554
  400    HA3  GLY  65           2HA      GLY  65   3.230  -7.945  -5.684
  401    H    ARG  66           H        ARG  66   3.022 -10.822  -6.369
  402    HA   ARG  66           HA       ARG  66   2.468 -10.827  -9.192
  403    HB3  ARG  66           1HB      ARG  66   2.659 -13.116  -7.193
  404    HG3  ARG  66           1HG      ARG  66   2.992 -13.090 -10.234
  405    HD3  ARG  66           1HD      ARG  66   3.292 -15.567  -9.895
  406    HE   ARG  66           HE       ARG  66   5.274 -13.818  -9.979
  407   HH11  ARG  66          1HH2      ARG  66   4.960 -16.557  -7.746
  408   HH12  ARG  66          2HH2      ARG  66   6.680 -16.769  -7.626
  409   HH21  ARG  66          1HH1      ARG  66   7.488 -14.146  -9.757
  410   HH22  ARG  66          2HH1      ARG  66   8.084 -15.409  -8.733
  411    H    SER  67           H        SER  67   0.497 -11.798  -6.360
  412    HA   SER  67           HA       SER  67  -1.733 -12.864  -7.832
  413    HB3  SER  67           1HB      SER  67  -2.810 -13.022  -5.722
  414    HG   SER  67           HG       SER  67  -1.235 -14.013  -4.470
  415    H    PHE  68           H        PHE  68  -0.939  -9.631  -6.563
  416    HA   PHE  68           HA       PHE  68  -3.444  -8.435  -7.445
  417    HB3  PHE  68           1HB      PHE  68  -1.992  -6.302  -6.908
  418    HD1  PHE  68           HD2      PHE  68  -4.329  -6.059  -6.136
  419    HD2  PHE  68           HD1      PHE  68  -1.446  -8.459  -4.049
  420    HE1  PHE  68           HE2      PHE  68  -5.782  -6.042  -4.120
  421    HE2  PHE  68           HE1      PHE  68  -2.864  -8.428  -2.013
  422    HZ   PHE  68           HZ       PHE  68  -5.070  -7.238  -2.074
  423    H    GLN  69           H        GLN  69  -0.755  -9.459  -9.167
  424    HA   GLN  69           HA       GLN  69   0.096  -9.108 -11.230
  425    HB3  GLN  69           1HB      GLN  69  -1.324  -8.412 -13.021
  426    HG3  GLN  69           1HG      GLN  69  -2.176 -10.490 -11.307
  427   HE21  GLN  69          2HE2      GLN  69  -3.732  -9.981  -9.607
  428   HE22  GLN  69          1HE2      GLN  69  -5.332  -9.400  -9.989
  429    H    VAL  70           H        VAL  70   1.051  -7.362  -9.312
  430    HA   VAL  70           HA       VAL  70   0.667  -4.612  -9.722
  431    HB   VAL  70           HB       VAL  70   2.928  -6.198  -8.498
  432   HG11  VAL  70          1HG1      VAL  70   4.040  -4.131  -9.211
  433   HG12  VAL  70          2HG1      VAL  70   2.695  -3.163  -8.623
  434   HG13  VAL  70          3HG1      VAL  70   3.735  -4.042  -7.480
  435   HG21  VAL  70          3HG2      VAL  70   0.837  -4.335  -7.271
  436   HG22  VAL  70          1HG2      VAL  70   0.693  -6.097  -7.364
  437   HG23  VAL  70          2HG2      VAL  70   1.991  -5.384  -6.414
  438    H    LYS  71           H        LYS  71   1.188  -3.206 -11.184
  439    HA   LYS  71           HA       LYS  71   2.360  -3.951 -13.676
  440    HB3  LYS  71           1HB      LYS  71   2.039  -1.523 -14.214
  441    HG3  LYS  71           1HG      LYS  71  -0.345  -1.277 -13.785
  442    HD3  LYS  71           1HD      LYS  71   0.615  -2.916 -15.610
  443    HE3  LYS  71           1HE      LYS  71  -1.023  -4.770 -13.812
  444    HZ1  LYS  71           3HZ      LYS  71  -1.374  -5.151 -16.181
  445    HZ2  LYS  71           1HZ      LYS  71  -0.555  -6.395 -15.518
  446    HZ3  LYS  71           2HZ      LYS  71   0.228  -5.308 -16.448
  447    H    LEU  72           H        LEU  72   3.666  -1.895 -11.096
  448    HA   LEU  72           HA       LEU  72   6.365  -1.913 -12.398
  449    HB3  LEU  72           1HB      LEU  72   5.200   0.157 -10.494
  450    HG   LEU  72           HG       LEU  72   7.766   0.135 -10.761
  451   HD11  LEU  72          1HD1      LEU  72   7.930  -0.543 -13.120
  452   HD12  LEU  72          2HD1      LEU  72   8.659   1.043 -12.884
  453   HD13  LEU  72          3HD1      LEU  72   7.042   0.920 -13.619
  454   HD21  LEU  72          3HD2      LEU  72   7.884   2.576 -11.106
  455   HD22  LEU  72          1HD2      LEU  72   6.482   2.147 -10.106
  456   HD23  LEU  72          2HD2      LEU  72   6.263   2.565 -11.826
  457    H    TRP  73           H        TRP  73   6.582  -0.713  -9.349
  458    HA   TRP  73           HA       TRP  73   6.600  -3.246  -7.885
  459    HB3  TRP  73           1HB      TRP  73   9.139  -1.680  -8.108
  460    HD1  TRP  73           HD       TRP  73   8.696  -5.472  -8.007
  461    HE1  TRP  73           HE1      TRP  73   9.747  -6.406  -5.869
  462    HE3  TRP  73           HE3      TRP  73   9.870  -1.053  -5.736
  463    HZ2  TRP  73           HZ2      TRP  73  11.394  -5.335  -3.690
  464    HZ3  TRP  73           HZ3      TRP  73  11.194  -1.033  -3.646
  465    HH2  TRP  73           HH       TRP  73  12.011  -3.148  -2.658
  466    HA   PRO  74           HA       PRO  74   6.700   0.303  -4.780
  467    HB3  PRO  74           1HB      PRO  74   8.272   1.940  -5.121
  468    HG3  PRO  74           1HG      PRO  74   8.798   2.700  -7.329
  469    HD3  PRO  74           1HD      PRO  74   9.050   0.377  -7.454
  470    H    THR  75           H        THR  75   4.603  -0.453  -4.788
  471    HA   THR  75           HA       THR  75   2.426   1.080  -6.122
  472    HB   THR  75           HB       THR  75   2.982  -1.903  -6.520
  473    HG1  THR  75           HG1      THR  75   3.788   0.208  -7.816
  474   HG21  THR  75          3HG2      THR  75   0.614  -0.169  -7.349
  475   HG22  THR  75          1HG2      THR  75   0.582  -1.660  -6.393
  476   HG23  THR  75          2HG2      THR  75   0.987  -1.715  -8.112
  477    H    PHE  76           H        PHE  76   0.604   1.013  -5.000
  478    HA   PHE  76           HA       PHE  76   0.284  -0.930  -2.812
  479    HB3  PHE  76           1HB      PHE  76   1.137   0.683  -1.429
  480    HD1  PHE  76           HD2      PHE  76   2.891   1.834  -2.758
  481    HD2  PHE  76           HD1      PHE  76  -1.135   3.309  -2.370
  482    HE1  PHE  76           HE2      PHE  76   3.624   4.031  -3.654
  483    HE2  PHE  76           HE1      PHE  76  -0.367   5.531  -3.112
  484    HZ   PHE  76           HZ       PHE  76   1.976   5.874  -3.851
  485    H    VAL  77           H        VAL  77  -1.607  -1.731  -2.669
  486    HA   VAL  77           HA       VAL  77  -3.793  -0.746  -4.455
  487    HB   VAL  77           HB       VAL  77  -3.307  -3.542  -3.397
  488   HG11  VAL  77          1HG1      VAL  77  -5.689  -3.132  -3.807
  489   HG12  VAL  77          2HG1      VAL  77  -5.346  -2.382  -5.348
  490   HG13  VAL  77          3HG1      VAL  77  -5.062  -4.098  -5.141
  491   HG21  VAL  77          3HG2      VAL  77  -3.000  -2.499  -6.255
  492   HG22  VAL  77          1HG2      VAL  77  -1.635  -2.714  -5.177
  493   HG23  VAL  77          2HG2      VAL  77  -2.613  -4.116  -5.657
  494    H    PHE  78           H        PHE  78  -5.563   0.052  -3.563
  495    HA   PHE  78           HA       PHE  78  -5.875   0.085  -0.604
  496    HB3  PHE  78           1HB      PHE  78  -7.721   1.697  -1.094
  497    HD1  PHE  78           HD2      PHE  78  -5.013   2.218  -3.628
  498    HD2  PHE  78           HD1      PHE  78  -6.520   3.355   0.258
  499    HE1  PHE  78           HE2      PHE  78  -3.243   3.926  -3.432
  500    HE2  PHE  78           HE1      PHE  78  -4.787   5.150   0.364
  501    HZ   PHE  78           HZ       PHE  78  -3.179   5.431  -1.504
  502    H    LEU  79           H        LEU  79  -7.012  -1.463   0.350
  503    HA   LEU  79           HA       LEU  79  -9.223  -2.806  -1.128
  504    HB3  LEU  79           1HB      LEU  79  -9.002  -4.445   0.914
  505    HG   LEU  79           HG       LEU  79  -8.539  -5.092  -1.396
  506   HD11  LEU  79          1HD1      LEU  79  -5.759  -4.030  -0.812
  507   HD12  LEU  79          2HD1      LEU  79  -6.911  -3.557  -2.101
  508   HD13  LEU  79          3HD1      LEU  79  -6.146  -5.135  -2.152
  509   HD21  LEU  79          3HD2      LEU  79  -8.216  -6.639   0.512
  510   HD22  LEU  79          1HD2      LEU  79  -6.507  -6.152   0.611
  511   HD23  LEU  79          2HD2      LEU  79  -7.122  -6.993  -0.834
  512    H    ARG  80           H        ARG  80 -11.126  -3.142  -0.075
  513    HA   ARG  80           HA       ARG  80 -11.761  -2.319   2.608
  514    HB3  ARG  80           1HB      ARG  80 -13.198  -0.645   0.513
  515    HG3  ARG  80           1HG      ARG  80 -12.759  -0.368   3.510
  516    HD3  ARG  80           1HD      ARG  80 -14.221   1.516   1.604
  517    HE   ARG  80           HE       ARG  80 -14.711   1.246   4.253
  518   HH11  ARG  80          1HH1      ARG  80 -13.020   3.902   2.558
  519   HH12  ARG  80          2HH1      ARG  80 -13.466   5.034   3.793
  520   HH21  ARG  80          1HH2      ARG  80 -15.207   2.813   5.778
  521   HH22  ARG  80          2HH2      ARG  80 -14.648   4.442   5.570
  522    H    ASP  81           H        ASP  81 -13.599  -3.364   3.261
  523    HA   ASP  81           HA       ASP  81 -15.131  -5.031   3.310
  524    HB3  ASP  81           1HB      ASP  81 -15.888  -4.340   0.450
  525    H    GLY  82           H        GLY  82 -12.398  -5.578   2.344
  526    HA2  GLY  82           1HA      GLY  82 -11.212  -7.529   1.914
  527    HA3  GLY  82           2HA      GLY  82 -12.718  -8.352   1.477
  528    H    ARG  83           H        ARG  83 -12.854  -5.712  -0.436
  529    HA   ARG  83           HA       ARG  83 -11.592  -7.087  -2.742
  530    HB3  ARG  83           1HB      ARG  83 -13.915  -5.104  -2.645
  531    HG3  ARG  83           1HG      ARG  83 -12.981  -7.063  -4.799
  532    HD3  ARG  83           1HD      ARG  83 -14.776  -5.951  -6.179
  533    HE   ARG  83           HE       ARG  83 -15.212  -8.013  -4.352
  534   HH11  ARG  83          1HH1      ARG  83 -17.258  -5.549  -5.875
  535   HH12  ARG  83          2HH1      ARG  83 -18.674  -6.559  -5.819
  536   HH21  ARG  83          1HH2      ARG  83 -17.090  -9.254  -4.289
  537   HH22  ARG  83          2HH2      ARG  83 -18.570  -8.633  -4.954
  538    H    GLU  84           H        GLU  84 -10.503  -5.827  -4.242
  539    HA   GLU  84           HA       GLU  84  -9.086  -3.428  -3.394
  540    HB3  GLU  84           1HB      GLU  84  -9.388  -4.807  -6.080
  541    HG3  GLU  84           1HG      GLU  84  -7.759  -2.345  -5.385
  542    H    VAL  85           H        VAL  85  -9.867  -1.445  -3.296
  543    HA   VAL  85           HA       VAL  85 -12.298  -0.627  -4.854
  544    HB   VAL  85           HB       VAL  85 -12.238   1.413  -3.399
  545   HG11  VAL  85          1HG1      VAL  85 -13.346   0.333  -1.529
  546   HG12  VAL  85          2HG1      VAL  85 -13.779  -0.498  -3.037
  547   HG13  VAL  85          3HG1      VAL  85 -12.575  -1.226  -1.929
  548   HG21  VAL  85          3HG2      VAL  85  -9.844   1.175  -2.584
  549   HG22  VAL  85          1HG2      VAL  85 -11.038   1.432  -1.291
  550   HG23  VAL  85          2HG2      VAL  85 -10.386  -0.187  -1.577
  551    H    ALA  86           H        ALA  86  -8.858  -0.124  -4.617
  552    HA   ALA  86           HA       ALA  86  -8.656   1.197  -7.146
  553    HB1  ALA  86           3HB      ALA  86  -9.443   3.166  -5.801
  554    HB2  ALA  86           1HB      ALA  86  -8.108   2.860  -4.641
  555    HB3  ALA  86           2HB      ALA  86  -7.771   3.393  -6.292
  556    H    ARG  87           H        ARG  87  -6.306   2.137  -7.308
  557    HA   ARG  87           HA       ARG  87  -4.407   1.284  -5.325
  558    HB3  ARG  87           1HB      ARG  87  -4.570  -0.791  -6.533
  559    HG3  ARG  87           1HG      ARG  87  -3.589   0.809  -8.945
  560    HD3  ARG  87           1HD      ARG  87  -2.416  -1.345  -8.365
  561    HE   ARG  87           HE       ARG  87  -5.078  -2.415  -8.445
  562   HH11  ARG  87          1HH1      ARG  87  -1.863  -3.294  -9.726
  563   HH12  ARG  87          2HH1      ARG  87  -2.247  -5.002  -9.670
  564   HH21  ARG  87          1HH2      ARG  87  -5.422  -4.616  -8.347
  565   HH22  ARG  87          2HH2      ARG  87  -4.188  -5.715  -8.958
  566    H    VAL  88           H        VAL  88  -2.370   2.224  -5.576
  567    HA   VAL  88           HA       VAL  88  -2.070   4.345  -7.703
  568    HB   VAL  88           HB       VAL  88  -1.400   4.468  -4.777
  569   HG11  VAL  88          1HG1      VAL  88   0.454   5.578  -6.010
  570   HG12  VAL  88          2HG1      VAL  88  -0.714   6.523  -6.953
  571   HG13  VAL  88          3HG1      VAL  88  -0.520   6.806  -5.209
  572   HG21  VAL  88          3HG2      VAL  88  -3.151   6.444  -6.252
  573   HG22  VAL  88          1HG2      VAL  88  -3.765   5.056  -5.324
  574   HG23  VAL  88          2HG2      VAL  88  -2.836   6.315  -4.497
  575    H    VAL  89           H        VAL  89  -0.050   4.446  -8.609
  576    HA   VAL  89           HA       VAL  89   2.144   2.698  -7.638
  577    HB   VAL  89           HB       VAL  89   1.155   1.230  -9.176
  578   HG11  VAL  89          1HG1      VAL  89  -0.438   2.624 -10.351
  579   HG12  VAL  89          2HG1      VAL  89   0.870   3.461 -11.217
  580   HG13  VAL  89          3HG1      VAL  89   0.564   1.745 -11.498
  581   HG21  VAL  89          3HG2      VAL  89   3.660   1.628  -9.461
  582   HG22  VAL  89          1HG2      VAL  89   2.828   0.900 -10.850
  583   HG23  VAL  89          2HG2      VAL  89   3.265   2.620 -10.877
  584    H    ARG  90           H        ARG  90   4.091   3.534  -7.871
  585    HA   ARG  90           HA       ARG  90   5.738   5.051  -8.110
  586    HB3  ARG  90           1HB      ARG  90   4.585   5.771 -10.818
  587    HG3  ARG  90           1HG      ARG  90   7.401   5.337  -9.713
  588    HD3  ARG  90           1HD      ARG  90   6.573   6.488 -12.411
  589    HE   ARG  90           HE       ARG  90   9.259   5.455 -11.678
  590   HH11  ARG  90          1HH1      ARG  90   7.354   8.351 -12.393
  591   HH12  ARG  90          2HH1      ARG  90   8.764   9.344 -12.552
  592   HH21  ARG  90          1HH2      ARG  90  11.032   6.773 -11.962
  593   HH22  ARG  90          2HH2      ARG  90  10.823   8.460 -12.329
  594    HA   PRO  91           HA       PRO  91   2.636   8.438  -6.817
  595    HB3  PRO  91           1HB      PRO  91   2.582   7.790  -4.689
  596    HG3  PRO  91           1HG      PRO  91   4.385   6.575  -3.685
  597    HD3  PRO  91           1HD      PRO  91   3.815   5.432  -5.703
  598    H    GLY  92           H        GLY  92   2.939  10.375  -7.806
  599    HA2  GLY  92           1HA      GLY  92   5.593  11.316  -8.535
  600    HA3  GLY  92           2HA      GLY  92   4.031  12.062  -8.947
  601    H    SER  93           H        SER  93   3.233  12.267  -6.142
  602    HA   SER  93           HA       SER  93   4.995  13.749  -4.505
  603    HB3  SER  93           1HB      SER  93   2.995  15.530  -5.916
  604    HG   SER  93           HG       SER  93   4.293  17.145  -4.846
  605    H    ALA  94           H        ALA  94   3.782  14.714  -2.622
  606    HA   ALA  94           HA       ALA  94   1.856  12.927  -1.556
  607    HB1  ALA  94           3HB      ALA  94   2.520  15.820  -0.831
  608    HB2  ALA  94           1HB      ALA  94   1.683  14.650   0.222
  609    HB3  ALA  94           2HB      ALA  94   3.376  14.376  -0.229
  610    H    SER  95           H        SER  95   1.326  15.938  -3.437
  611    HA   SER  95           HA       SER  95  -1.464  16.219  -3.011
  612    HB3  SER  95           1HB      SER  95  -0.190  17.900  -4.172
  613    HG   SER  95           HG       SER  95   0.627  17.456  -6.296
  614    H    VAL  96           H        VAL  96   0.254  13.987  -5.179
  615    HA   VAL  96           HA       VAL  96  -2.175  13.051  -6.527
  616    HB   VAL  96           HB       VAL  96   0.629  11.830  -6.525
  617   HG11  VAL  96          1HG1      VAL  96  -1.049  10.259  -7.342
  618   HG12  VAL  96          2HG1      VAL  96  -1.719  11.491  -8.431
  619   HG13  VAL  96          3HG1      VAL  96  -0.081  10.853  -8.694
  620   HG21  VAL  96          3HG2      VAL  96   0.776  14.140  -7.344
  621   HG22  VAL  96          1HG2      VAL  96   0.971  12.997  -8.669
  622   HG23  VAL  96          2HG2      VAL  96  -0.573  13.851  -8.467
  623    H    LEU  97           H        LEU  97   0.010  11.856  -3.966
  624    HA   LEU  97           HA       LEU  97  -1.384   9.338  -3.631
  625    HB3  LEU  97           1HB      LEU  97   0.124  10.291  -1.284
  626    HG   LEU  97           HG       LEU  97   0.707   8.135  -3.399
  627   HD11  LEU  97          1HD1      LEU  97   2.708   8.729  -2.166
  628   HD12  LEU  97          2HD1      LEU  97   2.146   7.122  -1.744
  629   HD13  LEU  97          3HD1      LEU  97   1.885   8.473  -0.609
  630   HD21  LEU  97          3HD2      LEU  97  -0.967   8.200  -0.873
  631   HD22  LEU  97          1HD2      LEU  97  -0.161   6.701  -1.338
  632   HD23  LEU  97          2HD2      LEU  97  -1.329   7.467  -2.434
  633    H    GLU  98           H        GLU  98  -1.445  12.365  -1.688
  634    HA   GLU  98           HA       GLU  98  -3.495  11.654   0.095
  635    HB3  GLU  98           1HB      GLU  98  -4.001  14.104   0.192
  636    HG3  GLU  98           1HG      GLU  98  -1.026  13.452   0.402
  637    H    GLU  99           H        GLU  99  -3.831  13.085  -3.208
  638    HA   GLU  99           HA       GLU  99  -6.617  13.403  -3.271
  639    HB3  GLU  99           1HB      GLU  99  -4.598  12.697  -5.415
  640    HG3  GLU  99           1HG      GLU  99  -7.552  13.261  -5.716
  641    H    ALA 100           H        ALA 100  -4.733  10.418  -3.839
  642    HA   ALA 100           HA       ALA 100  -7.139   8.851  -4.441
  643    HB1  ALA 100           3HB      ALA 100  -5.579   6.948  -4.397
  644    HB2  ALA 100           1HB      ALA 100  -4.944   8.288  -5.373
  645    HB3  ALA 100           2HB      ALA 100  -4.305   8.001  -3.725
  646    H    PHE 101           H        PHE 101  -5.196   9.543  -1.508
  647    HA   PHE 101           HA       PHE 101  -6.367   7.484   0.109
  648    HB3  PHE 101           1HB      PHE 101  -5.722   9.386   1.896
  649    HD1  PHE 101           HD1      PHE 101  -3.286   7.747  -0.591
  650    HD2  PHE 101           HD2      PHE 101  -4.979   7.812   3.400
  651    HE1  PHE 101           HE1      PHE 101  -1.668   6.085   0.148
  652    HE2  PHE 101           HE2      PHE 101  -3.341   6.094   4.101
  653    HZ   PHE 101           HZ       PHE 101  -1.655   5.257   2.424
  654    H    GLU 102           H        GLU 102  -7.175  10.964  -0.202
  655    HA   GLU 102           HA       GLU 102  -9.460  10.899   1.508
  656    HB3  GLU 102           1HB      GLU 102  -8.708  13.025   1.100
  657    HG3  GLU 102           1HG      GLU 102  -8.485  12.306  -1.754
  658    H    SER 103           H        SER 103  -9.088  10.091  -1.918
  659    HA   SER 103           HA       SER 103 -11.886   9.888  -2.526
  660    HB3  SER 103           1HB      SER 103 -10.958   8.583  -4.521
  661    HG   SER 103           HG       SER 103  -9.495  10.959  -4.247
  662    H    LEU 104           H        LEU 104  -9.611   7.600  -1.069
  663    HA   LEU 104           HA       LEU 104 -11.644   5.400  -1.291
  664    HB3  LEU 104           1HB      LEU 104  -9.660   4.003  -0.519
  665    HG   LEU 104           HG       LEU 104  -8.794   3.578  -2.592
  666   HD11  LEU 104          1HD1      LEU 104 -11.403   4.849  -3.481
  667   HD12  LEU 104          2HD1      LEU 104 -11.376   3.446  -2.394
  668   HD13  LEU 104          3HD1      LEU 104 -10.662   3.330  -4.000
  669   HD21  LEU 104          3HD2      LEU 104  -7.796   5.625  -3.277
  670   HD22  LEU 104          1HD2      LEU 104  -9.396   6.402  -3.509
  671   HD23  LEU 104          2HD2      LEU 104  -8.872   5.114  -4.570
  672    H    VAL 105           H        VAL 105 -10.050   7.380   1.105
  673    HA   VAL 105           HA       VAL 105 -11.041   5.888   3.355
  674    HB   VAL 105           HB       VAL 105  -9.162   7.756   3.229
  675   HG11  VAL 105          1HG1      VAL 105 -11.502   9.502   4.059
  676   HG12  VAL 105          2HG1      VAL 105  -9.815   9.964   3.859
  677   HG13  VAL 105          3HG1      VAL 105 -10.775   9.526   2.438
  678   HG21  VAL 105          3HG2      VAL 105  -9.849   6.440   5.221
  679   HG22  VAL 105          1HG2      VAL 105  -9.269   8.074   5.569
  680   HG23  VAL 105          2HG2      VAL 105 -11.017   7.714   5.615
  681    H    GLY 106           H        GLY 106 -12.472   8.167   1.135
  682    HA2  GLY 106           1HA      GLY 106 -14.762   8.472   0.783
  683    HA3  GLY 106           2HA      GLY 106 -15.113   7.992   2.470
  684    H    GLU 107           H        GLU 107 -12.608  10.375   1.850
  685    HA   GLU 107           HA       GLU 107 -14.210  12.439   3.260
  686    HB3  GLU 107           1HB      GLU 107 -11.821  13.612   3.009
  687    HG3  GLU 107           1HG      GLU 107 -11.032  12.329   5.055
  688    H    GLY 108           H        GLY 108 -13.147  11.714   0.007
  689    HA2  GLY 108           1HA      GLY 108 -14.621  14.120  -0.954
  690    HA3  GLY 108           2HA      GLY 108 -12.960  13.904  -1.486
  Start of MODEL    5
    1    H1   MET   1           H        MET   1   6.598   7.126   7.820
    2    HA   MET   1           HA       MET   1   5.166   6.489  10.316
    3    HB3  MET   1           1HB      MET   1   4.420   4.270   9.504
    4    HG3  MET   1           1HG      MET   1   2.576   4.974   7.999
    5    HE1  MET   1           3HE      MET   1   1.167   5.177  11.586
    6    HE2  MET   1           1HE      MET   1   1.248   4.274  10.063
    7    HE3  MET   1           2HE      MET   1   2.688   4.409  11.103
    8    H    LYS   2           H        LYS   2   6.543   5.517  11.716
    9    HA   LYS   2           HA       LYS   2   9.315   5.202  10.870
   10    HB3  LYS   2           1HB      LYS   2   9.687   4.858  13.318
   11    HG3  LYS   2           1HG      LYS   2   8.812   6.968  14.206
   12    HD3  LYS   2           1HD      LYS   2   9.774   7.359  11.339
   13    HE3  LYS   2           1HE      LYS   2  10.005   9.071  13.850
   14    HZ1  LYS   2           3HZ      LYS   2  10.926   9.628  11.081
   15    HZ2  LYS   2           1HZ      LYS   2  11.910   9.301  12.358
   16    HZ3  LYS   2           2HZ      LYS   2  11.017  10.661  12.345
   17    H    THR   3           H        THR   3   6.803   2.848  11.509
   18    HA   THR   3           HA       THR   3   8.517   0.620  12.129
   19    HB   THR   3           HB       THR   3   5.675   0.516  11.051
   20    HG1  THR   3           HG1      THR   3   5.146   0.598  13.268
   21   HG21  THR   3          3HG2      THR   3   5.576  -1.572  12.428
   22   HG22  THR   3          1HG2      THR   3   7.303  -1.388  12.805
   23   HG23  THR   3          2HG2      THR   3   6.768  -1.702  11.135
   24    H    ARG   4           H        ARG   4   9.602  -0.761  10.875
   25    HA   ARG   4           HA       ARG   4   9.874  -0.246   8.040
   26    HB3  ARG   4           1HB      ARG   4  11.837  -0.685   9.088
   27    HG3  ARG   4           1HG      ARG   4  10.960  -2.016  11.162
   28    HD3  ARG   4           1HD      ARG   4  11.816  -4.424  10.913
   29    HE   ARG   4           HE       ARG   4   9.175  -3.834   9.623
   30   HH11  ARG   4          1HH1      ARG   4  10.890  -5.462  12.251
   31   HH12  ARG   4          2HH1      ARG   4   9.491  -6.395  12.694
   32   HH21  ARG   4          1HH2      ARG   4   7.458  -5.158  10.165
   33   HH22  ARG   4          2HH2      ARG   4   7.566  -6.161  11.577
   34    H    TYR   5           H        TYR   5   9.877  -1.925   6.381
   35    HA   TYR   5           HA       TYR   5   7.409  -3.188   5.967
   36    HB3  TYR   5           1HB      TYR   5   8.929  -4.605   4.324
   37    HD1  TYR   5           HD1      TYR   5   9.438  -0.871   4.448
   38    HD2  TYR   5           HD2      TYR   5   7.335  -4.210   2.726
   39    HE1  TYR   5           HE1      TYR   5   8.508   0.624   2.701
   40    HE2  TYR   5           HE2      TYR   5   6.391  -2.698   0.951
   41    HH   TYR   5           HH       TYR   5   6.509  -0.577  -0.007
   42    H    SER   6           H        SER   6   6.719  -5.343   5.798
   43    HA   SER   6           HA       SER   6   8.030  -7.146   7.777
   44    HB3  SER   6           1HB      SER   6   5.710  -7.912   8.268
   45    HG   SER   6           HG       SER   6   5.060  -5.909   9.304
   46    H    ALA   7           H        ALA   7   8.616  -9.155   7.169
   47    HA   ALA   7           HA       ALA   7   8.028 -10.074   4.452
   48    HB1  ALA   7           3HB      ALA   7  10.278 -10.231   5.446
   49    HB2  ALA   7           1HB      ALA   7   9.655 -11.323   6.713
   50    HB3  ALA   7           2HB      ALA   7   9.660 -11.833   5.015
   51    H    GLU   8           H        GLU   8   6.931 -10.990   7.678
   52    HA   GLU   8           HA       GLU   8   5.862 -13.554   6.916
   53    HB3  GLU   8           1HB      GLU   8   6.802 -13.235   9.085
   54    HG3  GLU   8           1HG      GLU   8   4.528 -11.288   9.690
   55    H    ALA   9           H        ALA   9   4.714 -11.667   5.229
   56    HA   ALA   9           HA       ALA   9   2.202 -10.659   6.143
   57    HB1  ALA   9           3HB      ALA   9   3.457  -9.595   4.334
   58    HB2  ALA   9           1HB      ALA   9   3.247 -11.048   3.310
   59    HB3  ALA   9           2HB      ALA   9   1.844 -10.078   3.760
   60    HA   PRO  10           HA       PRO  10  -0.687 -13.972   5.335
   61    HB3  PRO  10           1HB      PRO  10  -2.171 -12.600   6.496
   62    HG3  PRO  10           1HG      PRO  10  -2.280 -10.221   6.013
   63    HD3  PRO  10           1HD      PRO  10  -0.077 -10.728   6.701
   64    H    ALA  11           H        ALA  11  -2.154 -14.862   3.754
   65    HA   ALA  11           HA       ALA  11  -1.357 -14.373   0.958
   66    HB1  ALA  11           3HB      ALA  11  -1.396 -16.656   1.950
   67    HB2  ALA  11           1HB      ALA  11  -3.128 -16.468   2.310
   68    HB3  ALA  11           2HB      ALA  11  -2.563 -16.541   0.618
   69    H    ARG  12           H        ARG  12  -3.049 -14.391  -0.807
   70    HA   ARG  12           HA       ARG  12  -4.907 -12.280  -0.520
   71    HB3  ARG  12           1HB      ARG  12  -5.969 -13.246  -2.632
   72    HG3  ARG  12           1HG      ARG  12  -4.106 -12.892  -4.128
   73    HD3  ARG  12           1HD      ARG  12  -3.293 -10.703  -3.508
   74    HE   ARG  12           HE       ARG  12  -5.855 -10.534  -2.097
   75   HH11  ARG  12          1HH1      ARG  12  -4.441 -10.652  -5.378
   76   HH12  ARG  12          2HH1      ARG  12  -5.830  -9.878  -6.061
   77   HH21  ARG  12          1HH2      ARG  12  -7.596  -9.607  -3.102
   78   HH22  ARG  12          2HH2      ARG  12  -7.584  -9.307  -4.807
   79    H    ASP  13           H        ASP  13  -5.471 -15.754  -0.070
   80    HA   ASP  13           HA       ASP  13  -8.309 -15.625   0.272
   81    HB3  ASP  13           1HB      ASP  13  -7.996 -17.834   1.377
   82    H    GLU  14           H        GLU  14  -5.729 -14.732   2.431
   83    HA   GLU  14           HA       GLU  14  -7.427 -14.699   4.847
   84    HB3  GLU  14           1HB      GLU  14  -5.279 -13.884   5.887
   85    HG3  GLU  14           1HG      GLU  14  -5.089 -16.533   4.392
   86    H    LEU  15           H        LEU  15  -5.866 -12.461   2.505
   87    HA   LEU  15           HA       LEU  15  -6.739  -9.995   3.723
   88    HB3  LEU  15           1HB      LEU  15  -6.696  -9.215   1.252
   89    HG   LEU  15           HG       LEU  15  -4.780  -8.864   2.889
   90   HD11  LEU  15          1HD1      LEU  15  -2.680 -10.081   2.325
   91   HD12  LEU  15          2HD1      LEU  15  -3.580 -11.178   1.296
   92   HD13  LEU  15          3HD1      LEU  15  -3.884 -11.144   3.063
   93   HD21  LEU  15          3HD2      LEU  15  -4.154  -9.182  -0.080
   94   HD22  LEU  15          1HD2      LEU  15  -3.269  -8.154   1.065
   95   HD23  LEU  15          2HD2      LEU  15  -4.954  -7.790   0.677
   96    H    ASP  16           H        ASP  16  -8.401 -12.319   1.615
   97    HA   ASP  16           HA       ASP  16 -10.654 -10.835   0.845
   98    HB3  ASP  16           1HB      ASP  16 -10.468 -13.774   1.620
   99    H    ARG  17           H        ARG  17  -9.870 -12.083   3.987
  100    HA   ARG  17           HA       ARG  17 -12.573 -11.994   5.108
  101    HB3  ARG  17           1HB      ARG  17 -11.410 -12.612   7.186
  102    HG3  ARG  17           1HG      ARG  17 -10.494 -14.169   4.725
  103    HD3  ARG  17           1HD      ARG  17  -9.019 -14.659   6.613
  104    HE   ARG  17           HE       ARG  17 -11.517 -14.874   8.110
  105   HH11  ARG  17          1HH1      ARG  17  -8.232 -16.179   8.053
  106   HH12  ARG  17          2HH1      ARG  17  -8.234 -16.501   9.761
  107   HH21  ARG  17          1HH2      ARG  17 -11.464 -15.329  10.300
  108   HH22  ARG  17          2HH2      ARG  17 -10.048 -16.050  11.006
  109    H    LEU  18           H        LEU  18 -10.153  -9.606   4.536
  110    HA   LEU  18           HA       LEU  18 -10.666  -7.992   6.895
  111    HB3  LEU  18           1HB      LEU  18  -8.606  -7.967   5.430
  112    HG   LEU  18           HG       LEU  18  -9.814  -7.197   3.225
  113   HD11  LEU  18          1HD1      LEU  18  -9.663  -4.575   4.759
  114   HD12  LEU  18          2HD1      LEU  18 -11.081  -5.271   3.920
  115   HD13  LEU  18          3HD1      LEU  18  -9.728  -4.663   2.996
  116   HD21  LEU  18          3HD2      LEU  18  -7.339  -5.812   4.345
  117   HD22  LEU  18          1HD2      LEU  18  -7.755  -5.898   2.624
  118   HD23  LEU  18          2HD2      LEU  18  -7.373  -7.378   3.509
  119    H    ALA  19           H        ALA  19 -11.619  -5.791   6.891
  120    HA   ALA  19           HA       ALA  19 -13.932  -5.503   5.008
  121    HB1  ALA  19           3HB      ALA  19 -15.430  -5.126   6.907
  122    HB2  ALA  19           1HB      ALA  19 -14.685  -6.741   6.995
  123    HB3  ALA  19           2HB      ALA  19 -14.096  -5.424   8.040
  124    H    GLY  20           H        GLY  20 -11.954  -3.779   7.491
  125    HA2  GLY  20           1HA      GLY  20 -13.049  -1.194   6.726
  126    HA3  GLY  20           2HA      GLY  20 -11.658  -1.495   7.794
  127    HA   PRO  21           HA       PRO  21 -10.336   0.136   3.516
  128    HB3  PRO  21           1HB      PRO  21 -11.038   2.335   3.746
  129    HG3  PRO  21           1HG      PRO  21 -11.442   3.254   5.903
  130    HD3  PRO  21           1HD      PRO  21 -12.629   1.217   5.926
  131    H    THR  22           H        THR  22  -8.574  -1.061   3.225
  132    HA   THR  22           HA       THR  22  -6.195  -0.739   5.038
  133    HB   THR  22           HB       THR  22  -7.258  -3.326   3.843
  134    HG1  THR  22           HG1      THR  22  -8.446  -2.559   5.613
  135   HG21  THR  22          3HG2      THR  22  -4.825  -3.420   4.008
  136   HG22  THR  22          1HG2      THR  22  -5.523  -4.360   5.334
  137   HG23  THR  22          2HG2      THR  22  -4.869  -2.741   5.654
  138    H    LEU  23           H        LEU  23  -4.549   0.037   3.930
  139    HA   LEU  23           HA       LEU  23  -4.337  -0.321   1.024
  140    HB3  LEU  23           1HB      LEU  23  -2.590   1.185   3.011
  141    HG   LEU  23           HG       LEU  23  -1.347   0.856   0.948
  142   HD11  LEU  23          1HD1      LEU  23  -3.976   1.495  -0.320
  143   HD12  LEU  23          2HD1      LEU  23  -2.746   0.271  -0.722
  144   HD13  LEU  23          3HD1      LEU  23  -2.502   1.961  -1.174
  145   HD21  LEU  23          3HD2      LEU  23  -1.009   3.160   0.272
  146   HD22  LEU  23          1HD2      LEU  23  -1.186   3.042   2.022
  147   HD23  LEU  23          2HD2      LEU  23  -2.549   3.628   1.028
  148    H    VAL  24           H        VAL  24  -3.131  -1.908   0.122
  149    HA   VAL  24           HA       VAL  24  -1.100  -3.332   1.798
  150    HB   VAL  24           HB       VAL  24  -2.370  -4.331  -0.782
  151   HG11  VAL  24          1HG1      VAL  24  -1.481  -6.513  -0.059
  152   HG12  VAL  24          2HG1      VAL  24  -0.171  -5.337  -0.135
  153   HG13  VAL  24          3HG1      VAL  24  -0.853  -5.788   1.435
  154   HG21  VAL  24          3HG2      VAL  24  -3.779  -5.803   0.589
  155   HG22  VAL  24          1HG2      VAL  24  -3.195  -5.015   2.074
  156   HG23  VAL  24          2HG2      VAL  24  -4.172  -4.118   0.891
  157    H    GLU  25           H        GLU  25   0.872  -2.879   1.470
  158    HA   GLU  25           HA       GLU  25   1.787  -1.427  -0.973
  159    HB3  GLU  25           1HB      GLU  25   2.271  -1.243   2.007
  160    HG3  GLU  25           1HG      GLU  25   4.534  -1.110   0.971
  161    H    PHE  26           H        PHE  26   3.344  -2.309  -2.177
  162    HA   PHE  26           HA       PHE  26   4.872  -4.662  -1.159
  163    HB3  PHE  26           1HB      PHE  26   5.006  -5.419  -3.419
  164    HD1  PHE  26           HD1      PHE  26   3.328  -6.711  -1.784
  165    HD2  PHE  26           HD2      PHE  26   2.137  -3.646  -4.570
  166    HE1  PHE  26           HE1      PHE  26   0.951  -7.385  -1.534
  167    HE2  PHE  26           HE2      PHE  26  -0.211  -4.387  -4.383
  168    HZ   PHE  26           HZ       PHE  26  -0.823  -6.176  -2.789
  169    H    GLY  27           H        GLY  27   7.031  -4.548  -0.995
  170    HA2  GLY  27           1HA      GLY  27   8.903  -3.235  -2.539
  171    HA3  GLY  27           2HA      GLY  27   8.360  -1.997  -1.419
  172    H    THR  28           H        THR  28  10.489  -1.934  -0.484
  173    HA   THR  28           HA       THR  28  10.812  -3.835   1.741
  174    HB   THR  28           HB       THR  28  13.208  -4.077   1.426
  175    HG1  THR  28           HG1      THR  28  14.076  -3.440  -0.636
  176   HG21  THR  28          3HG2      THR  28  11.808  -4.976  -1.129
  177   HG22  THR  28          1HG2      THR  28  11.767  -5.826   0.420
  178   HG23  THR  28          2HG2      THR  28  13.304  -5.634  -0.432
  179    H    ASP  29           H        ASP  29  12.745  -2.900   3.174
  180    HA   ASP  29           HA       ASP  29  12.004  -0.079   3.647
  181    HB3  ASP  29           1HB      ASP  29  13.882  -1.834   5.258
  182    H    TRP  30           H        TRP  30  14.186  -1.557   1.647
  183    HA   TRP  30           HA       TRP  30  16.374   0.431   2.056
  184    HB3  TRP  30           1HB      TRP  30  16.986  -1.602   3.055
  185    HD1  TRP  30           HD       TRP  30  15.622  -3.725   3.406
  186    HE1  TRP  30           HE1      TRP  30  15.226  -5.893   2.097
  187    HE3  TRP  30           HE3      TRP  30  17.635  -2.306  -1.072
  188    HZ2  TRP  30           HZ2      TRP  30  15.538  -6.813  -0.643
  189    HZ3  TRP  30           HZ3      TRP  30  17.571  -3.818  -3.004
  190    HH2  TRP  30           HH       TRP  30  16.515  -6.081  -2.815
  191    H    CYS  31           H        CYS  31  14.338  -1.000  -0.465
  192    HA   CYS  31           HA       CYS  31  16.182  -0.499  -2.624
  193    HB2  CYS  31           1HB      CYS  31  14.311  -2.059  -2.830
  194    HB3  CYS  31           2HB      CYS  31  13.150  -0.740  -2.647
  195    H    GLY  32           H        GLY  32  16.353   1.229  -4.035
  196    HA2  GLY  32           1HA      GLY  32  15.920   3.905  -3.091
  197    HA3  GLY  32           2HA      GLY  32  16.422   3.450  -4.718
  198    H    HIS  33           H        HIS  33  13.859   1.794  -5.033
  199    HA   HIS  33           HA       HIS  33  11.967   3.835  -5.906
  200    HB2  HIS  33           1HB      HIS  33  11.789   0.831  -5.321
  201    HB3  HIS  33           2HB      HIS  33  10.388   1.774  -5.746
  202    HD1  HIS  33           HD1      HIS  33  12.013  -0.624  -7.474
  203    HD2  HIS  33           HD2      HIS  33  11.325   3.460  -8.195
  204    HE1  HIS  33           HE1      HIS  33  11.851  -0.357 -10.001
  205    H    CYS  34           H        CYS  34  12.198   1.734  -3.028
  206    HA   CYS  34           HA       CYS  34   9.842   2.769  -1.724
  207    HB3  CYS  34           1HB      CYS  34  11.162   1.635   0.276
  208    HG   CYS  34           HG       CYS  34   8.884   0.755  -0.587
  209    H    GLN  35           H        GLN  35  13.261   3.775  -1.602
  210    HA   GLN  35           HA       GLN  35  12.919   5.335   0.774
  211    HB3  GLN  35           1HB      GLN  35  14.983   6.520   0.165
  212    HG3  GLN  35           1HG      GLN  35  16.553   4.776  -0.074
  213   HE21  GLN  35          2HE2      GLN  35  14.386   2.200   0.279
  214   HE22  GLN  35          1HE2      GLN  35  14.382   2.178   2.047
  215    H    ALA  36           H        ALA  36  11.963   5.918  -2.447
  216    HA   ALA  36           HA       ALA  36  11.431   8.807  -2.134
  217    HB1  ALA  36           3HB      ALA  36  10.689   8.611  -4.482
  218    HB2  ALA  36           1HB      ALA  36  12.289   7.880  -4.276
  219    HB3  ALA  36           2HB      ALA  36  10.849   6.845  -4.408
  220    H    ALA  37           H        ALA  37   9.571   5.734  -2.269
  221    HA   ALA  37           HA       ALA  37   7.006   7.138  -2.130
  222    HB1  ALA  37           3HB      ALA  37   7.298   5.165  -3.535
  223    HB2  ALA  37           1HB      ALA  37   7.688   4.173  -2.110
  224    HB3  ALA  37           2HB      ALA  37   6.062   4.893  -2.291
  225    H    GLN  38           H        GLN  38   9.118   5.489   0.192
  226    HA   GLN  38           HA       GLN  38   7.188   5.070   2.256
  227    HB3  GLN  38           1HB      GLN  38   9.298   5.274   3.756
  228    HG3  GLN  38           1HG      GLN  38   9.238   3.185   1.516
  229   HE21  GLN  38          2HE2      GLN  38   9.399   2.455   4.968
  230   HE22  GLN  38          1HE2      GLN  38  11.065   1.884   4.942
  231    HA   PRO  39           HA       PRO  39   8.106   9.379   4.080
  232    HB3  PRO  39           1HB      PRO  39  10.236  10.154   3.665
  233    HG3  PRO  39           1HG      PRO  39  11.283   9.808   1.562
  234    HD3  PRO  39           1HD      PRO  39  10.651   7.681   2.364
  235    H    LEU  40           H        LEU  40   7.131   8.737   0.812
  236    HA   LEU  40           HA       LEU  40   5.420  11.067   0.446
  237    HB3  LEU  40           1HB      LEU  40   4.657   8.586  -0.988
  238    HG   LEU  40           HG       LEU  40   4.885   9.741  -2.951
  239   HD11  LEU  40          1HD1      LEU  40   3.457  11.535  -2.760
  240   HD12  LEU  40          2HD1      LEU  40   4.155  12.117  -1.228
  241   HD13  LEU  40          3HD1      LEU  40   3.120  10.675  -1.258
  242   HD21  LEU  40          3HD2      LEU  40   6.619  11.811  -1.574
  243   HD22  LEU  40          1HD2      LEU  40   6.067  11.876  -3.270
  244   HD23  LEU  40          2HD2      LEU  40   7.133  10.566  -2.739
  245    H    LEU  41           H        LEU  41   4.838   7.612   1.215
  246    HA   LEU  41           HA       LEU  41   2.097   7.836   1.970
  247    HB3  LEU  41           1HB      LEU  41   2.733   5.818   3.490
  248    HG   LEU  41           HG       LEU  41   2.417   4.223   1.808
  249   HD11  LEU  41          1HD1      LEU  41   0.506   4.938   0.566
  250   HD12  LEU  41          2HD1      LEU  41   0.967   6.637   0.676
  251   HD13  LEU  41          3HD1      LEU  41   0.477   5.754   2.139
  252   HD21  LEU  41          3HD2      LEU  41   3.458   6.225  -0.202
  253   HD22  LEU  41          1HD2      LEU  41   2.708   4.662  -0.604
  254   HD23  LEU  41          2HD2      LEU  41   4.216   4.724   0.327
  255    H    ALA  42           H        ALA  42   5.088   8.130   3.918
  256    HA   ALA  42           HA       ALA  42   3.959   8.645   6.429
  257    HB1  ALA  42           3HB      ALA  42   6.410   8.389   5.845
  258    HB2  ALA  42           1HB      ALA  42   6.379  10.072   5.262
  259    HB3  ALA  42           2HB      ALA  42   6.059   9.718   6.961
  260    H    GLU  43           H        GLU  43   4.319  10.999   3.754
  261    HA   GLU  43           HA       GLU  43   3.409  13.280   5.336
  262    HB3  GLU  43           1HB      GLU  43   3.132  14.304   2.983
  263    HG3  GLU  43           1HG      GLU  43   5.667  14.230   2.563
  264    H    VAL  44           H        VAL  44   1.801  11.127   2.915
  265    HA   VAL  44           HA       VAL  44  -0.728  12.537   3.130
  266    HB   VAL  44           HB       VAL  44  -0.381  11.452   1.103
  267   HG11  VAL  44          1HG1      VAL  44  -0.142   8.752   2.447
  268   HG12  VAL  44          2HG1      VAL  44  -0.138   9.145   0.708
  269   HG13  VAL  44          3HG1      VAL  44   1.170   9.706   1.694
  270   HG21  VAL  44          3HG2      VAL  44  -2.722  11.326   2.003
  271   HG22  VAL  44          1HG2      VAL  44  -2.330  10.088   0.808
  272   HG23  VAL  44          2HG2      VAL  44  -2.392   9.677   2.530
  273    H    PHE  45           H        PHE  45   0.378   9.443   4.513
  274    HA   PHE  45           HA       PHE  45  -2.067   8.660   5.659
  275    HB3  PHE  45           1HB      PHE  45   0.422   7.738   7.031
  276    HD1  PHE  45           HD2      PHE  45  -2.084   6.878   8.061
  277    HD2  PHE  45           HD1      PHE  45  -0.076   5.504   4.499
  278    HE1  PHE  45           HE2      PHE  45  -3.367   4.796   8.140
  279    HE2  PHE  45           HE1      PHE  45  -1.357   3.388   4.591
  280    HZ   PHE  45           HZ       PHE  45  -3.025   3.028   6.392
  281    H    SER  46           H        SER  46   0.251  10.948   6.900
  282    HA   SER  46           HA       SER  46  -0.397  10.919   9.687
  283    HB3  SER  46           1HB      SER  46   0.355  13.316   9.610
  284    HG   SER  46           HG       SER  46   2.181  11.688   8.149
  285    H    ASP  47           H        ASP  47  -2.341  12.049   6.975
  286    HA   ASP  47           HA       ASP  47  -4.240  13.439   8.809
  287    HB3  ASP  47           1HB      ASP  47  -4.348  13.246   5.798
  288    H    TYR  48           H        TYR  48  -3.766  10.349   7.551
  289    HA   TYR  48           HA       TYR  48  -6.650   9.612   7.868
  290    HB3  TYR  48           1HB      TYR  48  -6.538   8.182   5.943
  291    HD1  TYR  48           HD2      TYR  48  -8.139  10.160   5.595
  292    HD2  TYR  48           HD1      TYR  48  -4.005  10.209   4.413
  293    HE1  TYR  48           HE2      TYR  48  -8.622  12.027   4.042
  294    HE2  TYR  48           HE1      TYR  48  -4.440  12.204   2.980
  295    HH   TYR  48           HH       TYR  48  -7.700  13.653   2.643
  296    HA   PRO  49           HA       PRO  49  -3.506   6.751  10.136
  297    HB3  PRO  49           1HB      PRO  49  -2.951   8.178  11.845
  298    HG3  PRO  49           1HG      PRO  49  -4.441   9.895  12.577
  299    HD3  PRO  49           1HD      PRO  49  -4.073  10.162  10.252
  300    H    GLU  50           H        GLU  50  -6.999   7.297  10.298
  301    HA   GLU  50           HA       GLU  50  -7.720   4.816  11.498
  302    HB3  GLU  50           1HB      GLU  50  -9.195   6.746  11.368
  303    HG3  GLU  50           1HG      GLU  50  -9.508   6.097   8.401
  304    H    VAL  51           H        VAL  51  -6.366   5.378   8.360
  305    HA   VAL  51           HA       VAL  51  -7.551   2.985   7.083
  306    HB   VAL  51           HB       VAL  51  -5.225   4.743   6.224
  307   HG11  VAL  51          1HG1      VAL  51  -5.011   2.566   5.128
  308   HG12  VAL  51          2HG1      VAL  51  -6.722   2.596   4.665
  309   HG13  VAL  51          3HG1      VAL  51  -5.567   3.754   3.961
  310   HG21  VAL  51          3HG2      VAL  51  -8.115   4.683   5.266
  311   HG22  VAL  51          1HG2      VAL  51  -7.382   5.963   6.250
  312   HG23  VAL  51          2HG2      VAL  51  -6.815   5.692   4.605
  313    H    GLY  52           H        GLY  52  -6.545   0.949   6.900
  314    HA2  GLY  52           1HA      GLY  52  -4.325   0.312   8.771
  315    HA3  GLY  52           2HA      GLY  52  -5.277  -0.829   7.806
  316    H    HIS  53           H        HIS  53  -2.279  -0.562   8.061
  317    HA   HIS  53           HA       HIS  53  -1.751  -0.362   5.133
  318    HB2  HIS  53           1HB      HIS  53  -0.995   1.676   6.549
  319    HB3  HIS  53           2HB      HIS  53   0.235   0.612   7.207
  320    HD1  HIS  53           HD1      HIS  53   2.032   2.339   6.025
  321    HD2  HIS  53           HD2      HIS  53  -0.545   0.290   3.416
  322    HE1  HIS  53           HE1      HIS  53   3.003   2.608   3.665
  323    H    LEU  54           H        LEU  54  -0.941  -2.182   4.365
  324    HA   LEU  54           HA       LEU  54   0.620  -4.012   6.145
  325    HB3  LEU  54           1HB      LEU  54  -1.228  -4.542   3.790
  326    HG   LEU  54           HG       LEU  54   0.513  -6.237   3.648
  327   HD11  LEU  54          1HD1      LEU  54   1.487  -6.169   5.904
  328   HD12  LEU  54          2HD1      LEU  54   0.963  -7.805   5.523
  329   HD13  LEU  54          3HD1      LEU  54  -0.029  -6.795   6.596
  330   HD21  LEU  54          3HD2      LEU  54  -1.956  -7.379   5.016
  331   HD22  LEU  54          1HD2      LEU  54  -0.866  -8.215   3.876
  332   HD23  LEU  54          2HD2      LEU  54  -1.874  -6.873   3.315
  333    H    LYS  55           H        LYS  55   2.618  -3.198   5.807
  334    HA   LYS  55           HA       LYS  55   3.789  -2.807   3.129
  335    HB3  LYS  55           1HB      LYS  55   5.879  -2.658   4.718
  336    HG3  LYS  55           1HG      LYS  55   3.698  -0.631   4.416
  337    HD3  LYS  55           1HD      LYS  55   5.340   1.053   5.195
  338    HE3  LYS  55           1HE      LYS  55   4.688  -0.967   7.394
  339    HZ1  LYS  55           3HZ      LYS  55   4.463   1.075   8.703
  340    HZ2  LYS  55           1HZ      LYS  55   4.952   1.993   7.433
  341    HZ3  LYS  55           2HZ      LYS  55   5.996   0.933   8.134
  342    H    VAL  56           H        VAL  56   3.893  -4.704   1.996
  343    HA   VAL  56           HA       VAL  56   4.976  -7.162   3.306
  344    HB   VAL  56           HB       VAL  56   3.869  -6.836   0.475
  345   HG11  VAL  56          1HG1      VAL  56   4.609  -9.303   2.114
  346   HG12  VAL  56          2HG1      VAL  56   3.730  -9.336   0.567
  347   HG13  VAL  56          3HG1      VAL  56   5.398  -8.757   0.628
  348   HG21  VAL  56          3HG2      VAL  56   1.915  -8.113   1.479
  349   HG22  VAL  56          1HG2      VAL  56   2.562  -7.713   3.082
  350   HG23  VAL  56          2HG2      VAL  56   2.056  -6.422   1.958
  351    H    GLU  57           H        GLU  57   6.924  -7.580   3.335
  352    HA   GLU  57           HA       GLU  57   8.905  -6.206   1.770
  353    HB3  GLU  57           1HB      GLU  57   9.452  -8.683   3.425
  354    HG3  GLU  57           1HG      GLU  57  10.875  -6.038   3.049
  355    H    ASP  58           H        ASP  58   9.061  -6.641  -0.364
  356    HA   ASP  58           HA       ASP  58   8.380  -9.244  -1.500
  357    HB3  ASP  58           1HB      ASP  58   9.420  -6.737  -2.847
  358    H    GLY  59           H        GLY  59   9.751 -10.450  -2.950
  359    HA2  GLY  59           1HA      GLY  59  12.678 -10.171  -2.709
  360    HA3  GLY  59           2HA      GLY  59  11.967 -11.644  -2.053
  361    HA   PRO  60           HA       PRO  60  13.170 -12.100  -6.626
  362    HB3  PRO  60           1HB      PRO  60  14.933 -13.673  -6.747
  363    HG3  PRO  60           1HG      PRO  60  15.670 -11.910  -5.302
  364    HD3  PRO  60           1HD      PRO  60  14.492 -11.330  -3.378
  365    H    GLY  61           H        GLY  61  11.998 -13.226  -8.092
  366    HA2  GLY  61           1HA      GLY  61  10.465 -14.764  -8.979
  367    HA3  GLY  61           2HA      GLY  61  10.258 -15.504  -7.383
  368    H    ARG  62           H        ARG  62   9.830 -12.545  -6.433
  369    HA   ARG  62           HA       ARG  62   8.307 -10.960  -6.159
  370    HB3  ARG  62           1HB      ARG  62   6.620 -12.009  -8.450
  371    HG3  ARG  62           1HG      ARG  62   7.385  -9.172  -7.670
  372    HD3  ARG  62           1HD      ARG  62   5.114 -10.113  -9.453
  373    HE   ARG  62           HE       ARG  62   6.361  -7.486  -8.919
  374   HH11  ARG  62          1HH1      ARG  62   4.168  -9.245 -11.096
  375   HH12  ARG  62          2HH1      ARG  62   3.616  -7.772 -11.834
  376   HH21  ARG  62          1HH2      ARG  62   5.704  -5.651 -10.082
  377   HH22  ARG  62          2HH2      ARG  62   4.449  -5.831 -11.264
  378    H    ARG  63           H        ARG  63   6.946 -10.880  -4.489
  379    HA   ARG  63           HA       ARG  63   5.629 -13.391  -3.630
  380    HB3  ARG  63           1HB      ARG  63   5.654 -12.349  -1.405
  381    HG3  ARG  63           1HG      ARG  63   8.358 -12.031  -2.771
  382    HD3  ARG  63           1HD      ARG  63   8.160 -11.302  -0.379
  383    HE   ARG  63           HE       ARG  63   7.468 -14.186   0.042
  384   HH11  ARG  63          1HH1      ARG  63   7.784 -10.948   1.515
  385   HH12  ARG  63          2HH1      ARG  63   6.992 -11.519   2.978
  386   HH21  ARG  63          1HH2      ARG  63   6.550 -14.756   2.028
  387   HH22  ARG  63          2HH2      ARG  63   6.403 -13.551   3.282
  388    H    LEU  64           H        LEU  64   3.978 -11.244  -1.842
  389    HA   LEU  64           HA       LEU  64   1.475 -11.843  -2.916
  390    HB3  LEU  64           1HB      LEU  64   2.142  -9.377  -1.300
  391    HG   LEU  64           HG       LEU  64  -0.289  -9.696  -1.893
  392   HD11  LEU  64          1HD1      LEU  64  -0.480 -12.109  -2.116
  393   HD12  LEU  64          2HD1      LEU  64  -1.543 -11.586  -0.806
  394   HD13  LEU  64          3HD1      LEU  64   0.022 -12.342  -0.428
  395   HD21  LEU  64          3HD2      LEU  64   0.405 -10.162   1.033
  396   HD22  LEU  64          1HD2      LEU  64  -1.190  -9.640   0.431
  397   HD23  LEU  64          2HD2      LEU  64   0.202  -8.595   0.215
  398    H    GLY  65           H        GLY  65   3.415  -8.964  -3.794
  399    HA2  GLY  65           1HA      GLY  65   1.475  -7.622  -5.357
  400    HA3  GLY  65           2HA      GLY  65   3.227  -7.504  -5.571
  401    H    ARG  66           H        ARG  66   3.201 -10.553  -6.147
  402    HA   ARG  66           HA       ARG  66   2.745 -10.524  -9.024
  403    HB3  ARG  66           1HB      ARG  66   3.056 -12.928  -7.174
  404    HG3  ARG  66           1HG      ARG  66   3.706 -12.501 -10.124
  405    HD3  ARG  66           1HD      ARG  66   4.158 -14.903  -8.305
  406    HE   ARG  66           HE       ARG  66   3.547 -15.157 -10.898
  407   HH11  ARG  66          1HH1      ARG  66   6.806 -15.307  -9.462
  408   HH12  ARG  66          2HH1      ARG  66   7.348 -16.449 -10.649
  409   HH21  ARG  66          1HH2      ARG  66   4.358 -16.603 -12.398
  410   HH22  ARG  66          2HH2      ARG  66   5.996 -17.173 -12.267
  411    H    SER  67           H        SER  67   0.915 -11.774  -6.195
  412    HA   SER  67           HA       SER  67  -1.288 -12.786  -7.836
  413    HB3  SER  67           1HB      SER  67  -2.269 -13.404  -5.692
  414    HG   SER  67           HG       SER  67  -0.566 -14.719  -4.904
  415    H    PHE  68           H        PHE  68  -0.484  -9.699  -6.566
  416    HA   PHE  68           HA       PHE  68  -3.227  -8.659  -7.067
  417    HB3  PHE  68           1HB      PHE  68  -1.866  -6.427  -6.701
  418    HD1  PHE  68           HD1      PHE  68  -1.075  -8.740  -3.967
  419    HD2  PHE  68           HD2      PHE  68  -3.984  -6.068  -5.637
  420    HE1  PHE  68           HE1      PHE  68  -2.283  -8.754  -1.813
  421    HE2  PHE  68           HE2      PHE  68  -5.187  -6.015  -3.453
  422    HZ   PHE  68           HZ       PHE  68  -4.350  -7.341  -1.546
  423    H    GLN  69           H        GLN  69  -0.571  -9.581  -8.936
  424    HA   GLN  69           HA       GLN  69   0.246  -9.067 -10.987
  425    HB3  GLN  69           1HB      GLN  69  -1.457  -8.603 -12.710
  426    HG3  GLN  69           1HG      GLN  69  -1.118 -10.913 -11.779
  427   HE21  GLN  69          2HE2      GLN  69  -3.964  -9.311 -10.151
  428   HE22  GLN  69          1HE2      GLN  69  -4.161 -10.678  -9.056
  429    H    VAL  70           H        VAL  70   1.102  -7.272  -9.323
  430    HA   VAL  70           HA       VAL  70   0.423  -4.552  -9.714
  431    HB   VAL  70           HB       VAL  70   2.864  -5.975  -8.658
  432   HG11  VAL  70          1HG1      VAL  70   3.706  -3.797  -7.775
  433   HG12  VAL  70          2HG1      VAL  70   3.866  -3.956  -9.530
  434   HG13  VAL  70          3HG1      VAL  70   2.564  -2.960  -8.851
  435   HG21  VAL  70          3HG2      VAL  70   0.843  -4.126  -7.324
  436   HG22  VAL  70          1HG2      VAL  70   0.716  -5.899  -7.348
  437   HG23  VAL  70          2HG2      VAL  70   2.082  -5.136  -6.527
  438    H    LYS  71           H        LYS  71   1.107  -2.911 -10.965
  439    HA   LYS  71           HA       LYS  71   2.036  -3.477 -13.651
  440    HB3  LYS  71           1HB      LYS  71   2.076  -0.790 -13.499
  441    HG3  LYS  71           1HG      LYS  71   0.430  -1.762 -14.904
  442    HD3  LYS  71           1HD      LYS  71  -1.879  -2.289 -13.745
  443    HE3  LYS  71           1HE      LYS  71   0.299  -4.420 -13.896
  444    HZ1  LYS  71           3HZ      LYS  71  -1.667  -5.320 -12.970
  445    HZ2  LYS  71           1HZ      LYS  71  -1.650  -5.792 -14.528
  446    HZ3  LYS  71           2HZ      LYS  71  -2.655  -4.589 -14.079
  447    H    LEU  72           H        LEU  72   3.613  -1.784 -10.927
  448    HA   LEU  72           HA       LEU  72   6.226  -1.919 -12.393
  449    HB3  LEU  72           1HB      LEU  72   5.283   0.233 -10.452
  450    HG   LEU  72           HG       LEU  72   7.815   0.062 -10.787
  451   HD11  LEU  72          1HD1      LEU  72   7.123   0.759 -13.676
  452   HD12  LEU  72          2HD1      LEU  72   7.916  -0.737 -13.110
  453   HD13  LEU  72          3HD1      LEU  72   8.747   0.810 -12.960
  454   HD21  LEU  72          3HD2      LEU  72   6.497   2.538 -11.959
  455   HD22  LEU  72          1HD2      LEU  72   8.116   2.447 -11.249
  456   HD23  LEU  72          2HD2      LEU  72   6.706   2.196 -10.212
  457    H    TRP  73           H        TRP  73   6.641  -0.734  -9.343
  458    HA   TRP  73           HA       TRP  73   6.608  -3.298  -7.896
  459    HB3  TRP  73           1HB      TRP  73   9.151  -1.715  -8.098
  460    HD1  TRP  73           HD       TRP  73   8.613  -5.503  -7.822
  461    HE1  TRP  73           HE1      TRP  73   9.717  -6.376  -5.676
  462    HE3  TRP  73           HE3      TRP  73   9.962  -1.022  -5.749
  463    HZ2  TRP  73           HZ2      TRP  73  11.272  -5.270  -3.475
  464    HZ3  TRP  73           HZ3      TRP  73  11.225  -0.954  -3.624
  465    HH2  TRP  73           HH       TRP  73  11.944  -3.054  -2.513
  466    HA   PRO  74           HA       PRO  74   6.654   0.298  -4.823
  467    HB3  PRO  74           1HB      PRO  74   8.240   1.936  -5.161
  468    HG3  PRO  74           1HG      PRO  74   8.796   2.649  -7.380
  469    HD3  PRO  74           1HD      PRO  74   9.065   0.329  -7.398
  470    H    THR  75           H        THR  75   4.541  -0.396  -4.808
  471    HA   THR  75           HA       THR  75   2.401   1.157  -6.109
  472    HB   THR  75           HB       THR  75   2.951  -1.771  -6.737
  473    HG1  THR  75           HG1      THR  75   3.745   0.323  -7.899
  474   HG21  THR  75          3HG2      THR  75   0.492  -0.070  -7.327
  475   HG22  THR  75          1HG2      THR  75   0.549  -1.609  -6.428
  476   HG23  THR  75          2HG2      THR  75   0.857  -1.590  -8.167
  477    H    PHE  76           H        PHE  76   0.612   1.088  -4.935
  478    HA   PHE  76           HA       PHE  76   0.315  -0.937  -2.833
  479    HB3  PHE  76           1HB      PHE  76   1.180   0.631  -1.406
  480    HD1  PHE  76           HD1      PHE  76   2.917   1.813  -2.721
  481    HD2  PHE  76           HD2      PHE  76  -1.117   3.265  -2.288
  482    HE1  PHE  76           HE1      PHE  76   3.648   4.044  -3.501
  483    HE2  PHE  76           HE2      PHE  76  -0.384   5.484  -3.004
  484    HZ   PHE  76           HZ       PHE  76   1.982   5.879  -3.681
  485    H    VAL  77           H        VAL  77  -1.580  -1.699  -2.627
  486    HA   VAL  77           HA       VAL  77  -3.779  -0.708  -4.390
  487    HB   VAL  77           HB       VAL  77  -3.282  -3.488  -3.254
  488   HG11  VAL  77          1HG1      VAL  77  -5.689  -2.999  -3.733
  489   HG12  VAL  77          2HG1      VAL  77  -5.262  -2.521  -5.371
  490   HG13  VAL  77          3HG1      VAL  77  -5.040  -4.187  -4.872
  491   HG21  VAL  77          3HG2      VAL  77  -1.582  -2.801  -4.976
  492   HG22  VAL  77          1HG2      VAL  77  -2.613  -4.138  -5.514
  493   HG23  VAL  77          2HG2      VAL  77  -2.902  -2.500  -6.104
  494    H    PHE  78           H        PHE  78  -5.572   0.045  -3.557
  495    HA   PHE  78           HA       PHE  78  -5.931   0.066  -0.600
  496    HB3  PHE  78           1HB      PHE  78  -7.704   1.721  -1.083
  497    HD1  PHE  78           HD2      PHE  78  -4.942   2.210  -3.574
  498    HD2  PHE  78           HD1      PHE  78  -6.511   3.370   0.276
  499    HE1  PHE  78           HE2      PHE  78  -3.163   3.908  -3.355
  500    HE2  PHE  78           HE1      PHE  78  -4.748   5.143   0.422
  501    HZ   PHE  78           HZ       PHE  78  -3.098   5.390  -1.428
  502    H    LEU  79           H        LEU  79  -7.043  -1.551   0.249
  503    HA   LEU  79           HA       LEU  79  -9.264  -2.850  -1.235
  504    HB3  LEU  79           1HB      LEU  79  -8.874  -4.418   0.923
  505    HG   LEU  79           HG       LEU  79  -8.959  -5.196  -1.375
  506   HD11  LEU  79          1HD1      LEU  79  -7.030  -5.345  -2.779
  507   HD12  LEU  79          2HD1      LEU  79  -5.990  -4.550  -1.552
  508   HD13  LEU  79          3HD1      LEU  79  -7.283  -3.656  -2.384
  509   HD21  LEU  79          3HD2      LEU  79  -8.341  -6.747   0.384
  510   HD22  LEU  79          1HD2      LEU  79  -6.637  -6.269   0.262
  511   HD23  LEU  79          2HD2      LEU  79  -7.431  -7.125  -1.084
  512    H    ARG  80           H        ARG  80 -11.210  -3.186  -0.152
  513    HA   ARG  80           HA       ARG  80 -11.789  -2.369   2.542
  514    HB3  ARG  80           1HB      ARG  80 -13.194  -0.711   0.405
  515    HG3  ARG  80           1HG      ARG  80 -12.866  -0.420   3.410
  516    HD3  ARG  80           1HD      ARG  80 -14.266   1.466   1.460
  517    HE   ARG  80           HE       ARG  80 -14.936   1.181   4.028
  518   HH11  ARG  80          1HH1      ARG  80 -13.003   3.823   2.573
  519   HH12  ARG  80          2HH1      ARG  80 -13.476   4.915   3.840
  520   HH21  ARG  80          1HH2      ARG  80 -15.497   2.701   5.554
  521   HH22  ARG  80          2HH2      ARG  80 -14.863   4.314   5.453
  522    H    ASP  81           H        ASP  81 -13.678  -3.333   3.217
  523    HA   ASP  81           HA       ASP  81 -15.252  -4.966   3.296
  524    HB3  ASP  81           1HB      ASP  81 -16.033  -4.229   0.457
  525    H    GLY  82           H        GLY  82 -12.588  -5.694   2.312
  526    HA2  GLY  82           1HA      GLY  82 -11.517  -7.691   1.790
  527    HA3  GLY  82           2HA      GLY  82 -13.082  -8.411   1.363
  528    H    ARG  83           H        ARG  83 -12.876  -5.601  -0.444
  529    HA   ARG  83           HA       ARG  83 -11.819  -7.041  -2.824
  530    HB3  ARG  83           1HB      ARG  83 -14.101  -5.029  -2.591
  531    HG3  ARG  83           1HG      ARG  83 -13.192  -6.813  -4.879
  532    HD3  ARG  83           1HD      ARG  83 -15.619  -4.977  -4.661
  533    HE   ARG  83           HE       ARG  83 -14.231  -5.819  -6.963
  534   HH11  ARG  83          1HH1      ARG  83 -17.564  -5.898  -5.799
  535   HH12  ARG  83          2HH1      ARG  83 -18.236  -5.885  -7.397
  536   HH21  ARG  83          1HH2      ARG  83 -15.153  -5.830  -9.016
  537   HH22  ARG  83          2HH2      ARG  83 -16.883  -5.851  -9.201
  538    H    GLU  84           H        GLU  84 -10.651  -5.792  -4.312
  539    HA   GLU  84           HA       GLU  84  -9.238  -3.429  -3.410
  540    HB3  GLU  84           1HB      GLU  84  -9.412  -4.795  -6.097
  541    HG3  GLU  84           1HG      GLU  84  -7.703  -2.406  -5.309
  542    H    VAL  85           H        VAL  85  -9.918  -1.428  -3.359
  543    HA   VAL  85           HA       VAL  85 -12.308  -0.567  -4.951
  544    HB   VAL  85           HB       VAL  85 -12.254   1.459  -3.475
  545   HG11  VAL  85          1HG1      VAL  85 -13.377   0.349  -1.631
  546   HG12  VAL  85          2HG1      VAL  85 -13.779  -0.490  -3.140
  547   HG13  VAL  85          3HG1      VAL  85 -12.595  -1.198  -2.026
  548   HG21  VAL  85          3HG2      VAL  85 -10.426  -0.158  -1.637
  549   HG22  VAL  85          1HG2      VAL  85  -9.853   1.193  -2.641
  550   HG23  VAL  85          2HG2      VAL  85 -11.061   1.463  -1.370
  551    H    ALA  86           H        ALA  86  -8.861  -0.141  -4.689
  552    HA   ALA  86           HA       ALA  86  -8.598   1.266  -7.179
  553    HB1  ALA  86           3HB      ALA  86  -8.132   2.805  -4.577
  554    HB2  ALA  86           1HB      ALA  86  -7.620   3.373  -6.161
  555    HB3  ALA  86           2HB      ALA  86  -9.343   3.200  -5.829
  556    H    ARG  87           H        ARG  87  -6.241   2.050  -7.374
  557    HA   ARG  87           HA       ARG  87  -4.410   1.259  -5.308
  558    HB3  ARG  87           1HB      ARG  87  -4.543  -0.860  -6.483
  559    HG3  ARG  87           1HG      ARG  87  -3.467   0.680  -8.890
  560    HD3  ARG  87           1HD      ARG  87  -2.304  -1.456  -8.229
  561    HE   ARG  87           HE       ARG  87  -4.969  -2.540  -8.313
  562   HH11  ARG  87          1HH1      ARG  87  -1.736  -3.469  -9.496
  563   HH12  ARG  87          2HH1      ARG  87  -2.141  -5.163  -9.425
  564   HH21  ARG  87          1HH2      ARG  87  -5.322  -4.735  -8.164
  565   HH22  ARG  87          2HH2      ARG  87  -4.080  -5.849  -8.704
  566    H    VAL  88           H        VAL  88  -2.338   2.178  -5.539
  567    HA   VAL  88           HA       VAL  88  -2.103   4.347  -7.649
  568    HB   VAL  88           HB       VAL  88  -1.289   4.351  -4.772
  569   HG11  VAL  88          1HG1      VAL  88   0.595   5.369  -6.016
  570   HG12  VAL  88          2HG1      VAL  88  -0.543   6.360  -6.953
  571   HG13  VAL  88          3HG1      VAL  88  -0.314   6.662  -5.217
  572   HG21  VAL  88          3HG2      VAL  88  -2.631   6.289  -4.441
  573   HG22  VAL  88          1HG2      VAL  88  -2.984   6.423  -6.187
  574   HG23  VAL  88          2HG2      VAL  88  -3.635   5.072  -5.231
  575    H    VAL  89           H        VAL  89  -0.462   4.098  -8.932
  576    HA   VAL  89           HA       VAL  89   1.807   2.243  -8.277
  577    HB   VAL  89           HB       VAL  89   0.621   3.045 -10.973
  578   HG11  VAL  89          1HG1      VAL  89   2.173   1.395 -11.982
  579   HG12  VAL  89          2HG1      VAL  89   3.057   2.724 -11.213
  580   HG13  VAL  89          3HG1      VAL  89   2.939   1.155 -10.406
  581   HG21  VAL  89          3HG2      VAL  89   0.639   0.287  -9.705
  582   HG22  VAL  89          1HG2      VAL  89  -0.776   1.373  -9.759
  583   HG23  VAL  89          2HG2      VAL  89  -0.080   0.752 -11.251
  584    H    ARG  90           H        ARG  90   3.767   3.244  -8.104
  585    HA   ARG  90           HA       ARG  90   5.405   4.792  -8.118
  586    HB3  ARG  90           1HB      ARG  90   4.388   5.490 -10.886
  587    HG3  ARG  90           1HG      ARG  90   7.213   5.243  -9.735
  588    HD3  ARG  90           1HD      ARG  90   6.176   6.357 -12.377
  589    HE   ARG  90           HE       ARG  90   8.685   6.755 -11.022
  590   HH11  ARG  90          1HH1      ARG  90   7.397   6.267 -14.280
  591   HH12  ARG  90          2HH1      ARG  90   8.732   7.084 -15.034
  592   HH21  ARG  90          1HH2      ARG  90  10.399   7.783 -12.065
  593   HH22  ARG  90          2HH2      ARG  90  10.399   7.937 -13.799
  594    HA   PRO  91           HA       PRO  91   2.503   8.306  -6.862
  595    HB3  PRO  91           1HB      PRO  91   2.504   7.672  -4.729
  596    HG3  PRO  91           1HG      PRO  91   4.324   6.453  -3.754
  597    HD3  PRO  91           1HD      PRO  91   3.682   5.254  -5.722
  598    H    GLY  92           H        GLY  92   2.912  10.114  -8.057
  599    HA2  GLY  92           1HA      GLY  92   5.605  10.978  -8.718
  600    HA3  GLY  92           2HA      GLY  92   4.074  11.723  -9.245
  601    H    SER  93           H        SER  93   3.172  12.093  -6.452
  602    HA   SER  93           HA       SER  93   4.930  13.617  -4.847
  603    HB3  SER  93           1HB      SER  93   2.975  15.344  -6.405
  604    HG   SER  93           HG       SER  93   4.229  17.014  -5.359
  605    H    ALA  94           H        ALA  94   3.683  14.660  -3.043
  606    HA   ALA  94           HA       ALA  94   1.740  12.927  -1.933
  607    HB1  ALA  94           3HB      ALA  94   2.379  15.856  -1.315
  608    HB2  ALA  94           1HB      ALA  94   1.533  14.721  -0.241
  609    HB3  ALA  94           2HB      ALA  94   3.239  14.443  -0.666
  610    H    SER  95           H        SER  95   1.282  15.801  -3.975
  611    HA   SER  95           HA       SER  95  -1.527  16.132  -3.622
  612    HB3  SER  95           1HB      SER  95  -0.201  17.781  -4.780
  613    HG   SER  95           HG       SER  95   0.698  17.305  -6.842
  614    H    VAL  96           H        VAL  96   0.229  13.654  -5.446
  615    HA   VAL  96           HA       VAL  96  -2.235  12.683  -6.808
  616    HB   VAL  96           HB       VAL  96   0.608  11.546  -6.772
  617   HG11  VAL  96          1HG1      VAL  96  -0.992   9.801  -7.354
  618   HG12  VAL  96          2HG1      VAL  96  -1.766  10.865  -8.549
  619   HG13  VAL  96          3HG1      VAL  96  -0.097  10.288  -8.784
  620   HG21  VAL  96          3HG2      VAL  96  -0.776  13.284  -8.867
  621   HG22  VAL  96          1HG2      VAL  96   0.615  13.742  -7.867
  622   HG23  VAL  96          2HG2      VAL  96   0.796  12.477  -9.071
  623    H    LEU  97           H        LEU  97  -0.018  11.704  -4.147
  624    HA   LEU  97           HA       LEU  97  -1.398   9.218  -3.668
  625    HB3  LEU  97           1HB      LEU  97   0.081  10.307  -1.386
  626    HG   LEU  97           HG       LEU  97   0.690   8.035  -3.382
  627   HD11  LEU  97          1HD1      LEU  97   2.121   7.119  -1.617
  628   HD12  LEU  97          2HD1      LEU  97   1.867   8.577  -0.629
  629   HD13  LEU  97          3HD1      LEU  97   2.698   8.667  -2.203
  630   HD21  LEU  97          3HD2      LEU  97  -1.001   8.235  -0.895
  631   HD22  LEU  97          1HD2      LEU  97  -0.186   6.709  -1.255
  632   HD23  LEU  97          2HD2      LEU  97  -1.347   7.408  -2.394
  633    H    GLU  98           H        GLU  98  -1.514  12.358  -1.942
  634    HA   GLU  98           HA       GLU  98  -3.565  11.727  -0.122
  635    HB3  GLU  98           1HB      GLU  98  -4.037  14.194  -0.138
  636    HG3  GLU  98           1HG      GLU  98  -1.048  13.555   0.012
  637    H    GLU  99           H        GLU  99  -3.864  12.896  -3.495
  638    HA   GLU  99           HA       GLU  99  -6.659  13.289  -3.612
  639    HB3  GLU  99           1HB      GLU  99  -4.599  12.457  -5.679
  640    HG3  GLU  99           1HG      GLU  99  -7.534  13.020  -6.095
  641    H    ALA 100           H        ALA 100  -4.779  10.291  -3.856
  642    HA   ALA 100           HA       ALA 100  -7.165   8.681  -4.456
  643    HB1  ALA 100           3HB      ALA 100  -4.336   7.882  -3.669
  644    HB2  ALA 100           1HB      ALA 100  -5.612   6.799  -4.278
  645    HB3  ALA 100           2HB      ALA 100  -4.944   8.076  -5.329
  646    H    PHE 101           H        PHE 101  -5.097   9.290  -1.540
  647    HA   PHE 101           HA       PHE 101  -6.385   7.440   0.176
  648    HB3  PHE 101           1HB      PHE 101  -5.712   9.422   1.863
  649    HD1  PHE 101           HD1      PHE 101  -3.240   7.744  -0.540
  650    HD2  PHE 101           HD2      PHE 101  -5.009   7.826   3.407
  651    HE1  PHE 101           HE1      PHE 101  -1.640   6.079   0.237
  652    HE2  PHE 101           HE2      PHE 101  -3.374   6.134   4.167
  653    HZ   PHE 101           HZ       PHE 101  -1.669   5.263   2.547
  654    H    GLU 102           H        GLU 102  -7.180  10.925  -0.287
  655    HA   GLU 102           HA       GLU 102  -9.423  10.996   1.435
  656    HB3  GLU 102           1HB      GLU 102  -8.499  13.038   0.661
  657    HG3  GLU 102           1HG      GLU 102  -8.370  11.989  -1.926
  658    H    SER 103           H        SER 103  -9.175   9.863  -1.913
  659    HA   SER 103           HA       SER 103 -12.041   9.751  -2.332
  660    HB3  SER 103           1HB      SER 103  -9.860   8.389  -3.954
  661    HG   SER 103           HG       SER 103 -12.061   7.884  -4.520
  662    H    LEU 104           H        LEU 104  -9.665   7.533  -1.004
  663    HA   LEU 104           HA       LEU 104 -11.626   5.261  -1.143
  664    HB3  LEU 104           1HB      LEU 104  -9.617   3.896  -0.434
  665    HG   LEU 104           HG       LEU 104  -8.809   3.471  -2.500
  666   HD11  LEU 104          1HD1      LEU 104 -11.234   5.039  -3.426
  667   HD12  LEU 104          2HD1      LEU 104 -11.365   3.511  -2.512
  668   HD13  LEU 104          3HD1      LEU 104 -10.573   3.524  -4.086
  669   HD21  LEU 104          3HD2      LEU 104  -7.637   5.576  -2.893
  670   HD22  LEU 104          1HD2      LEU 104  -9.190   6.328  -3.397
  671   HD23  LEU 104          2HD2      LEU 104  -8.486   5.054  -4.355
  672    H    VAL 105           H        VAL 105 -10.037   7.341   1.175
  673    HA   VAL 105           HA       VAL 105 -10.830   5.817   3.488
  674    HB   VAL 105           HB       VAL 105  -9.030   7.698   3.282
  675   HG11  VAL 105          1HG1      VAL 105  -9.668   9.922   3.864
  676   HG12  VAL 105          2HG1      VAL 105 -10.619   9.441   2.451
  677   HG13  VAL 105          3HG1      VAL 105 -11.361   9.464   4.069
  678   HG21  VAL 105          3HG2      VAL 105  -9.677   6.457   5.340
  679   HG22  VAL 105          1HG2      VAL 105  -9.092   8.102   5.623
  680   HG23  VAL 105          2HG2      VAL 105 -10.838   7.742   5.717
  681    H    GLY 106           H        GLY 106 -12.448   8.157   1.427
  682    HA2  GLY 106           1HA      GLY 106 -14.812   8.168   1.227
  683    HA3  GLY 106           2HA      GLY 106 -14.990   7.820   2.954
  684    H    GLU 107           H        GLU 107 -12.651  10.264   2.427
  685    HA   GLU 107           HA       GLU 107 -14.494  12.256   3.602
  686    HB3  GLU 107           1HB      GLU 107 -12.238  13.560   3.694
  687    HG3  GLU 107           1HG      GLU 107 -11.336  12.099   5.561
  688    H    GLY 108           H        GLY 108 -12.857  11.721   0.536
  689    HA2  GLY 108           1HA      GLY 108 -13.670  14.442  -0.472
  690    HA3  GLY 108           2HA      GLY 108 -12.295  13.500  -1.023
  Start of MODEL    6
    1    H1   MET   1           H        MET   1  14.915   4.162   8.387
    2    HA   MET   1           HA       MET   1  12.926   6.278   8.178
    3    HB3  MET   1           1HB      MET   1  11.123   4.759   7.288
    4    HG3  MET   1           1HG      MET   1  11.902   4.722   4.902
    5    HE1  MET   1           3HE      MET   1  12.687   8.522   3.828
    6    HE2  MET   1           1HE      MET   1  13.945   7.348   4.275
    7    HE3  MET   1           2HE      MET   1  12.596   6.844   3.255
    8    H    LYS   2           H        LYS   2  11.346   6.175   9.798
    9    HA   LYS   2           HA       LYS   2  12.049   4.596  12.126
   10    HB3  LYS   2           1HB      LYS   2   9.679   6.437  11.563
   11    HG3  LYS   2           1HG      LYS   2   9.285   5.087  13.609
   12    HD3  LYS   2           1HD      LYS   2  11.925   6.318  14.571
   13    HE3  LYS   2           1HE      LYS   2  11.423   5.014  16.686
   14    HZ1  LYS   2           3HZ      LYS   2  11.042   7.397  16.662
   15    HZ2  LYS   2           1HZ      LYS   2   9.931   6.671  17.598
   16    HZ3  LYS   2           2HZ      LYS   2   9.503   7.205  16.114
   17    H    THR   3           H        THR   3   9.358   4.438   9.776
   18    HA   THR   3           HA       THR   3   8.358   1.873  10.899
   19    HB   THR   3           HB       THR   3   6.673   2.126   9.015
   20    HG1  THR   3           HG1      THR   3   6.546   4.227   8.134
   21   HG21  THR   3          3HG2      THR   3   5.345   3.778  10.237
   22   HG22  THR   3          1HG2      THR   3   6.798   4.390  11.053
   23   HG23  THR   3          2HG2      THR   3   6.229   2.738  11.377
   24    H    ARG   4           H        ARG   4   7.991   0.099   9.407
   25    HA   ARG   4           HA       ARG   4  10.105  -0.291   7.364
   26    HB3  ARG   4           1HB      ARG   4  11.180  -0.573   9.486
   27    HG3  ARG   4           1HG      ARG   4   9.605  -3.110  10.013
   28    HD3  ARG   4           1HD      ARG   4  11.807  -2.393  11.086
   29    HE   ARG   4           HE       ARG   4  10.266  -0.100  11.858
   30   HH11  ARG   4          1HH1      ARG   4  12.563  -2.354  13.357
   31   HH12  ARG   4          2HH1      ARG   4  13.124  -1.146  14.483
   32   HH21  ARG   4          1HH2      ARG   4  11.102   1.410  13.286
   33   HH22  ARG   4          2HH2      ARG   4  12.300   0.926  14.459
   34    H    TYR   5           H        TYR   5  10.108  -2.463   6.466
   35    HA   TYR   5           HA       TYR   5   7.362  -3.326   5.791
   36    HB3  TYR   5           1HB      TYR   5   8.805  -4.717   4.096
   37    HD1  TYR   5           HD1      TYR   5   9.405  -1.001   4.506
   38    HD2  TYR   5           HD2      TYR   5   7.477  -4.172   2.335
   39    HE1  TYR   5           HE1      TYR   5   8.459   0.660   2.902
   40    HE2  TYR   5           HE2      TYR   5   6.553  -2.509   0.707
   41    HH   TYR   5           HH       TYR   5   6.589  -0.290   0.025
   42    H    SER   6           H        SER   6   6.894  -5.694   5.455
   43    HA   SER   6           HA       SER   6   8.596  -7.505   7.070
   44    HB3  SER   6           1HB      SER   6   5.573  -7.390   7.232
   45    HG   SER   6           HG       SER   6   6.078  -8.859   9.051
   46    H    ALA   7           H        ALA   7   8.885  -9.523   6.260
   47    HA   ALA   7           HA       ALA   7   7.703 -10.235   3.668
   48    HB1  ALA   7           3HB      ALA   7  10.105 -10.638   4.219
   49    HB2  ALA   7           1HB      ALA   7   9.603 -11.768   5.503
   50    HB3  ALA   7           2HB      ALA   7   9.248 -12.129   3.805
   51    H    GLU   8           H        GLU   8   6.745 -10.642   6.932
   52    HA   GLU   8           HA       GLU   8   5.620 -13.336   6.652
   53    HB3  GLU   8           1HB      GLU   8   5.005 -13.066   9.012
   54    HG3  GLU   8           1HG      GLU   8   7.854 -12.073   8.556
   55    H    ALA   9           H        ALA   9   4.457 -11.564   4.790
   56    HA   ALA   9           HA       ALA   9   1.990 -10.442   5.772
   57    HB1  ALA   9           3HB      ALA   9   3.150  -9.504   3.815
   58    HB2  ALA   9           1HB      ALA   9   2.900 -11.035   2.922
   59    HB3  ALA   9           2HB      ALA   9   1.517 -10.035   3.368
   60    HA   PRO  10           HA       PRO  10  -0.830 -13.911   5.348
   61    HB3  PRO  10           1HB      PRO  10  -2.410 -12.495   6.299
   62    HG3  PRO  10           1HG      PRO  10  -2.583 -10.173   5.596
   63    HD3  PRO  10           1HD      PRO  10  -0.424 -10.627   6.445
   64    H    ALA  11           H        ALA  11  -2.294 -14.959   3.742
   65    HA   ALA  11           HA       ALA  11  -1.345 -14.683   0.970
   66    HB1  ALA  11           3HB      ALA  11  -1.639 -16.909   2.016
   67    HB2  ALA  11           1HB      ALA  11  -3.373 -16.581   2.265
   68    HB3  ALA  11           2HB      ALA  11  -2.715 -16.720   0.620
   69    H    ARG  12           H        ARG  12  -2.728 -14.254  -0.822
   70    HA   ARG  12           HA       ARG  12  -4.439 -12.059  -0.549
   71    HB3  ARG  12           1HB      ARG  12  -4.936 -13.688  -2.980
   72    HG3  ARG  12           1HG      ARG  12  -4.075 -11.722  -4.157
   73    HD3  ARG  12           1HD      ARG  12  -5.486  -9.871  -3.361
   74    HE   ARG  12           HE       ARG  12  -6.519 -12.169  -4.321
   75   HH11  ARG  12          1HH1      ARG  12  -7.804  -9.965  -1.826
   76   HH12  ARG  12          2HH1      ARG  12  -9.448 -10.432  -2.207
   77   HH21  ARG  12          1HH2      ARG  12  -8.723 -12.681  -4.645
   78   HH22  ARG  12          2HH2      ARG  12  -9.923 -11.881  -3.652
   79    H    ASP  13           H        ASP  13  -5.253 -15.481  -0.572
   80    HA   ASP  13           HA       ASP  13  -8.080 -15.346  -0.842
   81    HB3  ASP  13           1HB      ASP  13  -6.321 -17.282   0.717
   82    H    GLU  14           H        GLU  14  -6.021 -15.124   2.101
   83    HA   GLU  14           HA       GLU  14  -8.313 -14.857   3.893
   84    HB3  GLU  14           1HB      GLU  14  -5.435 -14.149   4.539
   85    HG3  GLU  14           1HG      GLU  14  -7.154 -13.683   6.291
   86    H    LEU  15           H        LEU  15  -6.097 -12.717   2.196
   87    HA   LEU  15           HA       LEU  15  -6.958 -10.223   3.319
   88    HB3  LEU  15           1HB      LEU  15  -5.995 -10.123   0.537
   89    HG   LEU  15           HG       LEU  15  -4.919  -9.254   3.246
   90   HD11  LEU  15          1HD1      LEU  15  -2.989 -10.149   1.901
   91   HD12  LEU  15          2HD1      LEU  15  -2.901  -8.384   2.119
   92   HD13  LEU  15          3HD1      LEU  15  -3.455  -9.066   0.579
   93   HD21  LEU  15          3HD2      LEU  15  -5.481  -7.702   0.733
   94   HD22  LEU  15          1HD2      LEU  15  -5.033  -7.032   2.330
   95   HD23  LEU  15          2HD2      LEU  15  -6.590  -7.845   2.111
   96    H    ASP  16           H        ASP  16  -8.628 -12.384   1.195
   97    HA   ASP  16           HA       ASP  16 -10.296 -10.319  -0.043
   98    HB3  ASP  16           1HB      ASP  16 -10.937 -13.282   0.167
   99    H    ARG  17           H        ARG  17 -10.244 -11.973   2.951
  100    HA   ARG  17           HA       ARG  17 -13.142 -11.731   3.477
  101    HB3  ARG  17           1HB      ARG  17 -12.550 -13.213   5.398
  102    HG3  ARG  17           1HG      ARG  17 -11.424 -14.202   2.717
  103    HD3  ARG  17           1HD      ARG  17 -12.718 -16.261   3.515
  104    HE   ARG  17           HE       ARG  17 -10.290 -15.899   5.205
  105   HH11  ARG  17          1HH1      ARG  17 -11.579 -17.001   2.070
  106   HH12  ARG  17          2HH1      ARG  17 -10.168 -17.996   1.778
  107   HH21  ARG  17          1HH2      ARG  17  -8.592 -17.373   4.746
  108   HH22  ARG  17          2HH2      ARG  17  -8.589 -18.161   3.162
  109    H    LEU  18           H        LEU  18 -10.432  -9.843   4.078
  110    HA   LEU  18           HA       LEU  18 -10.977  -8.851   6.685
  111    HB3  LEU  18           1HB      LEU  18  -8.892  -8.550   5.340
  112    HG   LEU  18           HG       LEU  18  -9.641  -7.430   3.254
  113   HD11  LEU  18          1HD1      LEU  18 -10.014  -4.932   3.295
  114   HD12  LEU  18          2HD1      LEU  18 -10.255  -5.035   5.051
  115   HD13  LEU  18          3HD1      LEU  18 -11.378  -5.820   3.924
  116   HD21  LEU  18          3HD2      LEU  18  -7.838  -5.748   3.273
  117   HD22  LEU  18          1HD2      LEU  18  -7.329  -7.166   4.213
  118   HD23  LEU  18          2HD2      LEU  18  -7.897  -5.698   5.043
  119    H    ALA  19           H        ALA  19 -11.546  -6.534   7.181
  120    HA   ALA  19           HA       ALA  19 -13.503  -5.305   5.401
  121    HB1  ALA  19           3HB      ALA  19 -14.304  -6.157   8.205
  122    HB2  ALA  19           1HB      ALA  19 -15.264  -5.125   7.107
  123    HB3  ALA  19           2HB      ALA  19 -14.923  -6.810   6.675
  124    H    GLY  20           H        GLY  20 -13.595  -3.184   5.587
  125    HA2  GLY  20           1HA      GLY  20 -13.292  -1.014   6.634
  126    HA3  GLY  20           2HA      GLY  20 -11.986  -1.683   7.627
  127    HA   PRO  21           HA       PRO  21 -10.487   0.103   3.437
  128    HB3  PRO  21           1HB      PRO  21 -11.188   2.280   3.648
  129    HG3  PRO  21           1HG      PRO  21 -11.544   3.267   5.796
  130    HD3  PRO  21           1HD      PRO  21 -12.802   1.266   5.818
  131    H    THR  22           H        THR  22  -8.579  -0.847   3.021
  132    HA   THR  22           HA       THR  22  -6.303  -0.712   4.961
  133    HB   THR  22           HB       THR  22  -7.389  -3.288   3.734
  134    HG1  THR  22           HG1      THR  22  -8.590  -2.544   5.508
  135   HG21  THR  22          3HG2      THR  22  -4.953  -3.413   3.941
  136   HG22  THR  22          1HG2      THR  22  -5.689  -4.362   5.240
  137   HG23  THR  22          2HG2      THR  22  -5.014  -2.749   5.588
  138    H    LEU  23           H        LEU  23  -4.542  -0.118   3.931
  139    HA   LEU  23           HA       LEU  23  -4.338  -0.435   1.002
  140    HB3  LEU  23           1HB      LEU  23  -2.645   1.130   3.008
  141    HG   LEU  23           HG       LEU  23  -1.387   0.792   0.941
  142   HD11  LEU  23          1HD1      LEU  23  -4.017   1.431  -0.344
  143   HD12  LEU  23          2HD1      LEU  23  -2.782   0.214  -0.741
  144   HD13  LEU  23          3HD1      LEU  23  -2.546   1.906  -1.182
  145   HD21  LEU  23          3HD2      LEU  23  -2.630   3.548   1.025
  146   HD22  LEU  23          1HD2      LEU  23  -1.078   3.110   0.270
  147   HD23  LEU  23          2HD2      LEU  23  -1.273   2.972   2.032
  148    H    VAL  24           H        VAL  24  -3.136  -2.024   0.134
  149    HA   VAL  24           HA       VAL  24  -1.033  -3.380   1.799
  150    HB   VAL  24           HB       VAL  24  -2.273  -4.418  -0.786
  151   HG11  VAL  24          1HG1      VAL  24  -0.011  -5.319  -0.208
  152   HG12  VAL  24          2HG1      VAL  24  -0.600  -5.780   1.388
  153   HG13  VAL  24          3HG1      VAL  24  -1.253  -6.568  -0.049
  154   HG21  VAL  24          3HG2      VAL  24  -3.509  -6.028   0.657
  155   HG22  VAL  24          1HG2      VAL  24  -3.011  -5.106   2.095
  156   HG23  VAL  24          2HG2      VAL  24  -4.059  -4.363   0.877
  157    H    GLU  25           H        GLU  25   0.931  -2.786   1.456
  158    HA   GLU  25           HA       GLU  25   1.766  -1.342  -1.007
  159    HB3  GLU  25           1HB      GLU  25   2.385  -1.229   1.940
  160    HG3  GLU  25           1HG      GLU  25   4.615  -1.104   0.801
  161    H    PHE  26           H        PHE  26   3.268  -2.163  -2.300
  162    HA   PHE  26           HA       PHE  26   4.779  -4.584  -1.448
  163    HB3  PHE  26           1HB      PHE  26   4.830  -5.108  -3.858
  164    HD1  PHE  26           HD2      PHE  26   3.737  -6.901  -2.366
  165    HD2  PHE  26           HD1      PHE  26   1.527  -3.605  -4.066
  166    HE1  PHE  26           HE2      PHE  26   1.598  -8.064  -1.882
  167    HE2  PHE  26           HE1      PHE  26  -0.599  -4.793  -3.589
  168    HZ   PHE  26           HZ       PHE  26  -0.559  -6.977  -2.432
  169    H    GLY  27           H        GLY  27   6.910  -4.419  -1.235
  170    HA2  GLY  27           1HA      GLY  27   8.751  -3.074  -2.845
  171    HA3  GLY  27           2HA      GLY  27   8.261  -1.916  -1.622
  172    H    THR  28           H        THR  28  10.312  -1.895  -0.614
  173    HA   THR  28           HA       THR  28  10.713  -3.972   1.408
  174    HB   THR  28           HB       THR  28  13.131  -4.176   1.028
  175    HG1  THR  28           HG1      THR  28  13.910  -3.456  -1.033
  176   HG21  THR  28          3HG2      THR  28  13.162  -5.680  -0.861
  177   HG22  THR  28          1HG2      THR  28  11.679  -4.996  -1.502
  178   HG23  THR  28          2HG2      THR  28  11.637  -5.896   0.017
  179    H    ASP  29           H        ASP  29  12.712  -3.128   2.854
  180    HA   ASP  29           HA       ASP  29  12.023  -0.316   3.490
  181    HB3  ASP  29           1HB      ASP  29  13.786  -2.268   5.002
  182    H    TRP  30           H        TRP  30  14.007  -1.581   1.276
  183    HA   TRP  30           HA       TRP  30  16.268   0.314   1.753
  184    HB3  TRP  30           1HB      TRP  30  16.953  -1.735   2.670
  185    HD1  TRP  30           HD       TRP  30  15.605  -3.910   3.038
  186    HE1  TRP  30           HE1      TRP  30  15.190  -6.037   1.674
  187    HE3  TRP  30           HE3      TRP  30  17.371  -2.314  -1.501
  188    HZ2  TRP  30           HZ2      TRP  30  15.471  -6.899  -1.073
  189    HZ3  TRP  30           HZ3      TRP  30  17.289  -3.806  -3.464
  190    HH2  TRP  30           HH       TRP  30  16.343  -6.101  -3.273
  191    H    CYS  31           H        CYS  31  14.119  -0.961  -0.740
  192    HA   CYS  31           HA       CYS  31  15.828  -0.346  -2.971
  193    HB2  CYS  31           1HB      CYS  31  13.827  -1.710  -3.240
  194    HB3  CYS  31           2HB      CYS  31  12.796  -0.361  -2.742
  195    H    GLY  32           H        GLY  32  16.120   1.500  -4.159
  196    HA2  GLY  32           1HA      GLY  32  15.865   4.081  -2.909
  197    HA3  GLY  32           2HA      GLY  32  16.356   3.776  -4.584
  198    H    HIS  33           H        HIS  33  13.596   2.262  -4.900
  199    HA   HIS  33           HA       HIS  33  11.867   4.570  -5.482
  200    HB2  HIS  33           1HB      HIS  33  11.223   1.604  -5.168
  201    HB3  HIS  33           2HB      HIS  33  10.116   2.846  -5.709
  202    HD1  HIS  33           HD1      HIS  33  11.843   0.169  -7.179
  203    HD2  HIS  33           HD2      HIS  33  11.306   4.236  -8.087
  204    HE1  HIS  33           HE1      HIS  33  11.851   0.346  -9.735
  205    H    CYS  34           H        CYS  34  11.928   1.998  -2.988
  206    HA   CYS  34           HA       CYS  34   9.725   2.942  -1.458
  207    HB3  CYS  34           1HB      CYS  34  10.968   1.570   0.365
  208    HG   CYS  34           HG       CYS  34   8.819   0.740  -0.872
  209    H    GLN  35           H        GLN  35  13.200   3.805  -1.237
  210    HA   GLN  35           HA       GLN  35  12.917   5.154   1.246
  211    HB3  GLN  35           1HB      GLN  35  14.976   6.432   0.599
  212    HG3  GLN  35           1HG      GLN  35  16.538   4.689   0.243
  213   HE21  GLN  35          2HE2      GLN  35  14.273   2.242   0.948
  214   HE22  GLN  35          1HE2      GLN  35  14.538   2.236   2.682
  215    H    ALA  36           H        ALA  36  11.916   6.085  -1.921
  216    HA   ALA  36           HA       ALA  36  11.359   8.917  -1.193
  217    HB1  ALA  36           3HB      ALA  36  12.391   8.364  -3.387
  218    HB2  ALA  36           1HB      ALA  36  10.989   7.372  -3.806
  219    HB3  ALA  36           2HB      ALA  36  10.797   9.124  -3.588
  220    H    ALA  37           H        ALA  37   9.591   5.855  -1.907
  221    HA   ALA  37           HA       ALA  37   6.995   7.172  -1.793
  222    HB1  ALA  37           3HB      ALA  37   7.649   4.211  -1.759
  223    HB2  ALA  37           1HB      ALA  37   6.069   4.973  -2.078
  224    HB3  ALA  37           2HB      ALA  37   7.411   5.212  -3.216
  225    H    GLN  38           H        GLN  38   9.014   5.488   0.570
  226    HA   GLN  38           HA       GLN  38   7.048   4.999   2.563
  227    HB3  GLN  38           1HB      GLN  38   9.128   5.247   4.115
  228    HG3  GLN  38           1HG      GLN  38   9.061   3.185   1.855
  229   HE21  GLN  38          2HE2      GLN  38   9.497   2.334   5.255
  230   HE22  GLN  38          1HE2      GLN  38  11.167   1.793   5.067
  231    HA   PRO  39           HA       PRO  39   7.777   9.288   4.495
  232    HB3  PRO  39           1HB      PRO  39   9.919  10.096   4.201
  233    HG3  PRO  39           1HG      PRO  39  11.087   9.794   2.134
  234    HD3  PRO  39           1HD      PRO  39  10.415   7.655   2.902
  235    H    LEU  40           H        LEU  40   7.054   8.769   1.113
  236    HA   LEU  40           HA       LEU  40   5.291  11.051   0.709
  237    HB3  LEU  40           1HB      LEU  40   4.650   8.509  -0.720
  238    HG   LEU  40           HG       LEU  40   4.743   9.645  -2.692
  239   HD11  LEU  40          1HD1      LEU  40   3.278  11.413  -2.507
  240   HD12  LEU  40          2HD1      LEU  40   3.956  12.003  -0.968
  241   HD13  LEU  40          3HD1      LEU  40   2.973  10.541  -1.004
  242   HD21  LEU  40          3HD2      LEU  40   6.388  11.878  -1.459
  243   HD22  LEU  40          1HD2      LEU  40   5.810  11.769  -3.145
  244   HD23  LEU  40          2HD2      LEU  40   6.976  10.576  -2.531
  245    H    LEU  41           H        LEU  41   4.749   7.587   1.443
  246    HA   LEU  41           HA       LEU  41   1.973   7.771   2.034
  247    HB3  LEU  41           1HB      LEU  41   2.607   5.700   3.556
  248    HG   LEU  41           HG       LEU  41   2.354   4.147   1.847
  249   HD11  LEU  41          1HD1      LEU  41   0.376   5.562   2.223
  250   HD12  LEU  41          2HD1      LEU  41   0.444   4.838   0.598
  251   HD13  LEU  41          3HD1      LEU  41   0.821   6.547   0.816
  252   HD21  LEU  41          3HD2      LEU  41   4.135   4.714   0.381
  253   HD22  LEU  41          1HD2      LEU  41   3.381   6.253  -0.066
  254   HD23  LEU  41          2HD2      LEU  41   2.652   4.711  -0.597
  255    H    ALA  42           H        ALA  42   4.832   7.961   4.168
  256    HA   ALA  42           HA       ALA  42   3.478   8.335   6.604
  257    HB1  ALA  42           3HB      ALA  42   5.946   7.987   6.305
  258    HB2  ALA  42           1HB      ALA  42   6.077   9.665   5.731
  259    HB3  ALA  42           2HB      ALA  42   5.571   9.334   7.401
  260    H    GLU  43           H        GLU  43   4.157  10.835   4.136
  261    HA   GLU  43           HA       GLU  43   3.164  13.036   5.754
  262    HB3  GLU  43           1HB      GLU  43   3.051  14.194   3.453
  263    HG3  GLU  43           1HG      GLU  43   5.602  14.074   3.169
  264    H    VAL  44           H        VAL  44   1.653  11.056   3.122
  265    HA   VAL  44           HA       VAL  44  -0.871  12.470   3.301
  266    HB   VAL  44           HB       VAL  44  -0.459  11.425   1.280
  267   HG11  VAL  44          1HG1      VAL  44  -0.353   8.667   2.520
  268   HG12  VAL  44          2HG1      VAL  44  -0.193   9.153   0.809
  269   HG13  VAL  44          3HG1      VAL  44   1.028   9.632   1.935
  270   HG21  VAL  44          3HG2      VAL  44  -2.552   9.678   2.617
  271   HG22  VAL  44          1HG2      VAL  44  -2.837  11.329   2.055
  272   HG23  VAL  44          2HG2      VAL  44  -2.422  10.056   0.895
  273    H    PHE  45           H        PHE  45   0.188   9.361   4.710
  274    HA   PHE  45           HA       PHE  45  -2.259   8.580   5.829
  275    HB3  PHE  45           1HB      PHE  45   0.042   7.686   7.421
  276    HD1  PHE  45           HD1      PHE  45  -2.481   6.792   8.064
  277    HD2  PHE  45           HD2      PHE  45  -0.092   5.547   4.692
  278    HE1  PHE  45           HE1      PHE  45  -3.756   4.707   7.922
  279    HE2  PHE  45           HE2      PHE  45  -1.378   3.439   4.556
  280    HZ   PHE  45           HZ       PHE  45  -3.247   3.020   6.152
  281    H    SER  46           H        SER  46  -0.019  10.944   7.075
  282    HA   SER  46           HA       SER  46  -0.777  10.922   9.845
  283    HB3  SER  46           1HB      SER  46   0.029  13.295   9.805
  284    HG   SER  46           HG       SER  46   1.806  11.551   8.405
  285    H    ASP  47           H        ASP  47  -2.651  11.944   7.082
  286    HA   ASP  47           HA       ASP  47  -4.609  13.351   8.849
  287    HB3  ASP  47           1HB      ASP  47  -4.647  13.199   5.821
  288    H    TYR  48           H        TYR  48  -4.086  10.268   7.616
  289    HA   TYR  48           HA       TYR  48  -6.991   9.550   7.774
  290    HB3  TYR  48           1HB      TYR  48  -6.796   8.088   5.900
  291    HD1  TYR  48           HD1      TYR  48  -8.370  10.098   5.534
  292    HD2  TYR  48           HD2      TYR  48  -4.219  10.102   4.426
  293    HE1  TYR  48           HE1      TYR  48  -8.785  12.016   4.017
  294    HE2  TYR  48           HE2      TYR  48  -4.591  12.120   3.018
  295    HH   TYR  48           HH       TYR  48  -6.118  13.641   2.235
  296    HA   PRO  49           HA       PRO  49  -3.977   6.763  10.265
  297    HB3  PRO  49           1HB      PRO  49  -3.569   8.230  11.986
  298    HG3  PRO  49           1HG      PRO  49  -5.173   9.902  12.604
  299    HD3  PRO  49           1HD      PRO  49  -4.700  10.146  10.304
  300    H    GLU  50           H        GLU  50  -7.472   7.058  10.097
  301    HA   GLU  50           HA       GLU  50  -8.050   4.547  11.438
  302    HB3  GLU  50           1HB      GLU  50  -9.709   6.282  11.376
  303    HG3  GLU  50           1HG      GLU  50 -11.087   6.215   9.155
  304    H    VAL  51           H        VAL  51  -6.715   5.227   8.327
  305    HA   VAL  51           HA       VAL  51  -7.773   2.807   7.031
  306    HB   VAL  51           HB       VAL  51  -5.521   4.677   6.177
  307   HG11  VAL  51          1HG1      VAL  51  -5.275   2.515   5.029
  308   HG12  VAL  51          2HG1      VAL  51  -6.996   2.512   4.595
  309   HG13  VAL  51          3HG1      VAL  51  -5.896   3.708   3.892
  310   HG21  VAL  51          3HG2      VAL  51  -8.432   4.534   5.291
  311   HG22  VAL  51          1HG2      VAL  51  -7.698   5.831   6.247
  312   HG23  VAL  51          2HG2      VAL  51  -7.195   5.586   4.574
  313    H    GLY  52           H        GLY  52  -6.655   0.819   6.773
  314    HA2  GLY  52           1HA      GLY  52  -4.450   0.215   8.672
  315    HA3  GLY  52           2HA      GLY  52  -5.328  -0.942   7.638
  316    H    HIS  53           H        HIS  53  -2.400  -0.708   7.982
  317    HA   HIS  53           HA       HIS  53  -1.753  -0.425   5.095
  318    HB2  HIS  53           1HB      HIS  53  -1.187   1.708   6.475
  319    HB3  HIS  53           2HB      HIS  53   0.078   0.729   7.205
  320    HD1  HIS  53           HD1      HIS  53   1.892   2.419   6.062
  321    HD2  HIS  53           HD2      HIS  53  -0.574   0.276   3.402
  322    HE1  HIS  53           HE1      HIS  53   2.956   2.608   3.731
  323    H    LEU  54           H        LEU  54  -1.067  -2.340   4.483
  324    HA   LEU  54           HA       LEU  54   0.686  -3.970   6.250
  325    HB3  LEU  54           1HB      LEU  54  -1.132  -4.604   3.893
  326    HG   LEU  54           HG       LEU  54   0.800  -6.093   3.636
  327   HD11  LEU  54          1HD1      LEU  54   1.395  -7.749   5.367
  328   HD12  LEU  54          2HD1      LEU  54   0.294  -6.956   6.511
  329   HD13  LEU  54          3HD1      LEU  54   1.731  -6.101   5.927
  330   HD21  LEU  54          3HD2      LEU  54  -1.559  -7.542   4.897
  331   HD22  LEU  54          1HD2      LEU  54  -0.445  -8.154   3.651
  332   HD23  LEU  54          2HD2      LEU  54  -1.567  -6.843   3.266
  333    H    LYS  55           H        LYS  55   2.799  -3.631   5.889
  334    HA   LYS  55           HA       LYS  55   3.790  -2.808   3.199
  335    HB3  LYS  55           1HB      LYS  55   5.944  -2.629   4.361
  336    HG3  LYS  55           1HG      LYS  55   4.537  -0.626   4.135
  337    HD3  LYS  55           1HD      LYS  55   2.720  -0.957   5.696
  338    HE3  LYS  55           1HE      LYS  55   4.817  -0.957   7.923
  339    HZ1  LYS  55           3HZ      LYS  55   2.668   0.024   8.543
  340    HZ2  LYS  55           1HZ      LYS  55   2.881  -1.393   9.320
  341    HZ3  LYS  55           2HZ      LYS  55   1.859  -1.308   8.045
  342    H    VAL  56           H        VAL  56   3.878  -4.534   1.904
  343    HA   VAL  56           HA       VAL  56   4.806  -7.202   2.829
  344    HB   VAL  56           HB       VAL  56   3.863  -6.337   0.054
  345   HG11  VAL  56          1HG1      VAL  56   5.116  -8.458   0.078
  346   HG12  VAL  56          2HG1      VAL  56   4.039  -9.088   1.341
  347   HG13  VAL  56          3HG1      VAL  56   3.404  -8.729  -0.278
  348   HG21  VAL  56          3HG2      VAL  56   2.045  -5.888   1.680
  349   HG22  VAL  56          1HG2      VAL  56   1.654  -7.161   0.559
  350   HG23  VAL  56          2HG2      VAL  56   2.146  -7.590   2.215
  351    H    GLU  57           H        GLU  57   6.792  -7.518   2.987
  352    HA   GLU  57           HA       GLU  57   8.788  -6.178   1.378
  353    HB3  GLU  57           1HB      GLU  57   9.323  -8.632   3.058
  354    HG3  GLU  57           1HG      GLU  57  10.764  -5.992   2.709
  355    H    ASP  58           H        ASP  58   8.555  -6.611  -0.773
  356    HA   ASP  58           HA       ASP  58   7.864  -9.180  -1.860
  357    HB3  ASP  58           1HB      ASP  58   9.074  -6.720  -3.188
  358    H    GLY  59           H        GLY  59  10.915  -7.497  -1.582
  359    HA2  GLY  59           1HA      GLY  59  13.115  -8.252  -1.446
  360    HA3  GLY  59           2HA      GLY  59  12.478  -9.899  -1.308
  361    HA   PRO  60           HA       PRO  60  13.881  -9.839  -5.595
  362    HB3  PRO  60           1HB      PRO  60  15.367 -11.578  -4.909
  363    HG3  PRO  60           1HG      PRO  60  14.590 -13.329  -3.459
  364    HD3  PRO  60           1HD      PRO  60  14.239 -11.339  -2.271
  365    H    GLY  61           H        GLY  61  10.882 -10.932  -4.421
  366    HA2  GLY  61           1HA      GLY  61   9.053 -10.625  -6.141
  367    HA3  GLY  61           2HA      GLY  61   9.898 -11.826  -7.123
  368    H    ARG  62           H        ARG  62   9.134 -11.670  -3.622
  369    HA   ARG  62           HA       ARG  62   8.339 -14.477  -3.527
  370    HB3  ARG  62           1HB      ARG  62   8.016 -13.965  -1.088
  371    HG3  ARG  62           1HG      ARG  62  10.639 -13.023  -2.315
  372    HD3  ARG  62           1HD      ARG  62  11.645 -13.881  -0.225
  373    HE   ARG  62           HE       ARG  62   9.863 -11.523  -0.148
  374   HH11  ARG  62          1HH1      ARG  62  12.556 -13.153   1.485
  375   HH12  ARG  62          2HH1      ARG  62  12.984 -11.713   2.366
  376   HH21  ARG  62          1HH2      ARG  62  10.353  -9.836   1.112
  377   HH22  ARG  62          2HH2      ARG  62  11.763  -9.828   2.164
  378    H    ARG  63           H        ARG  63   6.300 -14.642  -1.758
  379    HA   ARG  63           HA       ARG  63   4.042 -14.660  -3.431
  380    HB3  ARG  63           1HB      ARG  63   4.049 -14.804  -0.381
  381    HG3  ARG  63           1HG      ARG  63   2.356 -16.180  -2.518
  382    HD3  ARG  63           1HD      ARG  63   2.200 -16.417   0.516
  383    HE   ARG  63           HE       ARG  63   0.365 -17.192  -1.559
  384   HH11  ARG  63          1HH1      ARG  63   1.702 -18.464   1.460
  385   HH12  ARG  63          2HH1      ARG  63   0.365 -19.541   1.710
  386   HH21  ARG  63          1HH2      ARG  63  -1.316 -18.623  -1.202
  387   HH22  ARG  63          2HH2      ARG  63  -1.339 -19.608   0.223
  388    H    LEU  64           H        LEU  64   2.123 -13.585  -3.429
  389    HA   LEU  64           HA       LEU  64   0.401 -12.398  -2.801
  390    HB3  LEU  64           1HB      LEU  64   2.114 -10.493  -1.183
  391    HG   LEU  64           HG       LEU  64  -0.207  -9.769  -1.693
  392   HD11  LEU  64          1HD1      LEU  64  -2.077 -10.959  -0.469
  393   HD12  LEU  64          2HD1      LEU  64  -0.973 -12.311  -0.204
  394   HD13  LEU  64          3HD1      LEU  64  -1.439 -11.843  -1.854
  395   HD21  LEU  64          3HD2      LEU  64  -0.736  -9.160   0.612
  396   HD22  LEU  64          1HD2      LEU  64   1.020  -9.195   0.428
  397   HD23  LEU  64          2HD2      LEU  64   0.197 -10.530   1.234
  398    H    GLY  65           H        GLY  65   3.162 -10.138  -3.551
  399    HA2  GLY  65           1HA      GLY  65   1.514  -8.281  -4.964
  400    HA3  GLY  65           2HA      GLY  65   3.273  -8.453  -5.162
  401    H    ARG  66           H        ARG  66   2.973 -11.247  -6.069
  402    HA   ARG  66           HA       ARG  66   2.394 -10.994  -8.882
  403    HB3  ARG  66           1HB      ARG  66   2.695 -13.456  -7.106
  404    HG3  ARG  66           1HG      ARG  66   3.030 -13.100 -10.121
  405    HD3  ARG  66           1HD      ARG  66   3.502 -15.570 -10.067
  406    HE   ARG  66           HE       ARG  66   5.486 -14.339 -10.336
  407   HH11  ARG  66          1HH1      ARG  66   4.944 -14.918  -6.868
  408   HH12  ARG  66          2HH1      ARG  66   6.574 -14.418  -6.475
  409   HH21  ARG  66          1HH2      ARG  66   7.583 -13.800  -9.693
  410   HH22  ARG  66          2HH2      ARG  66   7.996 -13.876  -7.992
  411    H    SER  67           H        SER  67   0.499 -12.242  -6.096
  412    HA   SER  67           HA       SER  67  -1.777 -13.114  -7.689
  413    HB3  SER  67           1HB      SER  67  -2.718 -13.740  -5.556
  414    HG   SER  67           HG       SER  67  -0.902 -15.071  -5.913
  415    H    PHE  68           H        PHE  68  -0.802 -10.097  -6.263
  416    HA   PHE  68           HA       PHE  68  -3.426  -8.823  -6.768
  417    HB3  PHE  68           1HB      PHE  68  -1.807  -6.748  -6.360
  418    HD1  PHE  68           HD1      PHE  68  -1.435  -9.161  -3.615
  419    HD2  PHE  68           HD2      PHE  68  -3.889  -6.128  -5.375
  420    HE1  PHE  68           HE1      PHE  68  -2.673  -8.941  -1.478
  421    HE2  PHE  68           HE2      PHE  68  -5.150  -5.893  -3.233
  422    HZ   PHE  68           HZ       PHE  68  -4.534  -7.296  -1.277
  423    H    GLN  69           H        GLN  69  -0.760  -9.799  -8.649
  424    HA   GLN  69           HA       GLN  69   0.077  -9.237 -10.699
  425    HB3  GLN  69           1HB      GLN  69  -1.564  -8.661 -12.419
  426    HG3  GLN  69           1HG      GLN  69  -1.302 -11.031 -11.512
  427   HE21  GLN  69          2HE2      GLN  69  -4.080  -9.344  -9.920
  428   HE22  GLN  69          1HE2      GLN  69  -4.415 -10.755  -8.923
  429    H    VAL  70           H        VAL  70   0.993  -7.577  -8.972
  430    HA   VAL  70           HA       VAL  70   0.475  -4.793  -9.192
  431    HB   VAL  70           HB       VAL  70   2.829  -6.439  -8.261
  432   HG11  VAL  70          1HG1      VAL  70   3.843  -4.324  -7.322
  433   HG12  VAL  70          2HG1      VAL  70   3.991  -4.511  -9.075
  434   HG13  VAL  70          3HG1      VAL  70   2.767  -3.413  -8.410
  435   HG21  VAL  70          3HG2      VAL  70   0.979  -4.492  -6.812
  436   HG22  VAL  70          1HG2      VAL  70   0.757  -6.252  -6.876
  437   HG23  VAL  70          2HG2      VAL  70   2.186  -5.582  -6.085
  438    H    LYS  71           H        LYS  71   1.171  -3.172 -10.490
  439    HA   LYS  71           HA       LYS  71   1.779  -4.021 -13.190
  440    HB3  LYS  71           1HB      LYS  71   1.142  -1.772 -13.816
  441    HG3  LYS  71           1HG      LYS  71  -1.045  -1.492 -12.890
  442    HD3  LYS  71           1HD      LYS  71  -0.383  -4.478 -12.882
  443    HE3  LYS  71           1HE      LYS  71  -3.063  -3.185 -13.428
  444    HZ1  LYS  71           3HZ      LYS  71  -2.238  -5.902 -12.569
  445    HZ2  LYS  71           1HZ      LYS  71  -2.692  -5.522 -14.097
  446    HZ3  LYS  71           2HZ      LYS  71  -3.786  -5.442 -12.882
  447    H    LEU  72           H        LEU  72   3.374  -1.698 -11.016
  448    HA   LEU  72           HA       LEU  72   5.843  -1.750 -12.699
  449    HB3  LEU  72           1HB      LEU  72   5.035   0.180 -10.470
  450    HG   LEU  72           HG       LEU  72   7.504   0.244 -11.033
  451   HD11  LEU  72          1HD1      LEU  72   6.515   0.969 -13.824
  452   HD12  LEU  72          2HD1      LEU  72   7.491  -0.461 -13.377
  453   HD13  LEU  72          3HD1      LEU  72   8.184   1.156 -13.241
  454   HD21  LEU  72          3HD2      LEU  72   7.581   2.662 -11.371
  455   HD22  LEU  72          1HD2      LEU  72   6.231   2.266 -10.300
  456   HD23  LEU  72          2HD2      LEU  72   5.924   2.651 -12.016
  457    H    TRP  73           H        TRP  73   6.685  -0.820  -9.682
  458    HA   TRP  73           HA       TRP  73   6.531  -3.445  -8.338
  459    HB3  TRP  73           1HB      TRP  73   9.097  -1.899  -8.481
  460    HD1  TRP  73           HD       TRP  73   8.529  -5.677  -8.174
  461    HE1  TRP  73           HE1      TRP  73   9.603  -6.518  -6.001
  462    HE3  TRP  73           HE3      TRP  73   9.841  -1.176  -6.150
  463    HZ2  TRP  73           HZ2      TRP  73  11.143  -5.374  -3.810
  464    HZ3  TRP  73           HZ3      TRP  73  11.078  -1.070  -4.010
  465    HH2  TRP  73           HH       TRP  73  11.781  -3.145  -2.865
  466    HA   PRO  74           HA       PRO  74   6.636  -0.035  -5.091
  467    HB3  PRO  74           1HB      PRO  74   8.269   1.569  -5.383
  468    HG3  PRO  74           1HG      PRO  74   8.745   2.449  -7.587
  469    HD3  PRO  74           1HD      PRO  74   8.993   0.126  -7.738
  470    H    THR  75           H        THR  75   4.528  -0.588  -4.944
  471    HA   THR  75           HA       THR  75   2.370   1.009  -6.198
  472    HB   THR  75           HB       THR  75   2.931  -1.938  -6.739
  473    HG1  THR  75           HG1      THR  75   3.622   0.135  -8.024
  474   HG21  THR  75          3HG2      THR  75   0.550  -1.857  -6.378
  475   HG22  THR  75          1HG2      THR  75   0.801  -1.870  -8.127
  476   HG23  THR  75          2HG2      THR  75   0.382  -0.354  -7.298
  477    H    PHE  76           H        PHE  76   0.576   0.994  -5.015
  478    HA   PHE  76           HA       PHE  76   0.288  -1.008  -2.876
  479    HB3  PHE  76           1HB      PHE  76   1.154   0.579  -1.454
  480    HD1  PHE  76           HD2      PHE  76   2.860   1.738  -2.820
  481    HD2  PHE  76           HD1      PHE  76  -1.149   3.211  -2.276
  482    HE1  PHE  76           HE2      PHE  76   3.581   3.969  -3.626
  483    HE2  PHE  76           HE1      PHE  76  -0.416   5.444  -2.975
  484    HZ   PHE  76           HZ       PHE  76   1.932   5.809  -3.756
  485    H    VAL  77           H        VAL  77  -1.626  -1.720  -2.574
  486    HA   VAL  77           HA       VAL  77  -3.810  -0.800  -4.384
  487    HB   VAL  77           HB       VAL  77  -3.327  -3.552  -3.186
  488   HG11  VAL  77          1HG1      VAL  77  -5.711  -3.148  -3.684
  489   HG12  VAL  77          2HG1      VAL  77  -5.315  -2.596  -5.304
  490   HG13  VAL  77          3HG1      VAL  77  -5.042  -4.269  -4.868
  491   HG21  VAL  77          3HG2      VAL  77  -2.767  -2.529  -6.000
  492   HG22  VAL  77          1HG2      VAL  77  -1.553  -3.016  -4.814
  493   HG23  VAL  77          2HG2      VAL  77  -2.643  -4.221  -5.479
  494    H    PHE  78           H        PHE  78  -5.619  -0.003  -3.574
  495    HA   PHE  78           HA       PHE  78  -6.017   0.020  -0.632
  496    HB3  PHE  78           1HB      PHE  78  -7.764   1.706  -1.150
  497    HD1  PHE  78           HD2      PHE  78  -4.987   2.143  -3.614
  498    HD2  PHE  78           HD1      PHE  78  -6.569   3.324   0.231
  499    HE1  PHE  78           HE2      PHE  78  -3.182   3.825  -3.369
  500    HE2  PHE  78           HE1      PHE  78  -4.812   5.095   0.377
  501    HZ   PHE  78           HZ       PHE  78  -3.138   5.326  -1.449
  502    H    LEU  79           H        LEU  79  -7.196  -1.520   0.212
  503    HA   LEU  79           HA       LEU  79  -9.415  -2.804  -1.280
  504    HB3  LEU  79           1HB      LEU  79  -9.180  -4.292   0.944
  505    HG   LEU  79           HG       LEU  79  -9.131  -5.183  -1.305
  506   HD11  LEU  79          1HD1      LEU  79  -7.117  -5.441  -2.575
  507   HD12  LEU  79          2HD1      LEU  79  -6.162  -4.505  -1.381
  508   HD13  LEU  79          3HD1      LEU  79  -7.434  -3.725  -2.352
  509   HD21  LEU  79          3HD2      LEU  79  -8.596  -6.586   0.615
  510   HD22  LEU  79          1HD2      LEU  79  -6.904  -6.068   0.512
  511   HD23  LEU  79          2HD2      LEU  79  -7.611  -7.086  -0.773
  512    H    ARG  80           H        ARG  80 -11.409  -3.052  -0.169
  513    HA   ARG  80           HA       ARG  80 -11.917  -2.089   2.507
  514    HB3  ARG  80           1HB      ARG  80 -13.148  -0.584   0.180
  515    HG3  ARG  80           1HG      ARG  80 -13.512  -0.223   3.182
  516    HD3  ARG  80           1HD      ARG  80 -14.083   1.583   0.796
  517    HE   ARG  80           HE       ARG  80 -15.934   1.171   2.875
  518   HH11  ARG  80          1HH1      ARG  80 -14.267   4.008   1.482
  519   HH12  ARG  80          2HH1      ARG  80 -15.739   4.948   1.556
  520   HH21  ARG  80          1HH2      ARG  80 -17.717   2.546   2.978
  521   HH22  ARG  80          2HH2      ARG  80 -17.560   4.202   2.426
  522    H    ASP  81           H        ASP  81 -13.500  -3.283   3.318
  523    HA   ASP  81           HA       ASP  81 -14.930  -5.034   3.573
  524    HB3  ASP  81           1HB      ASP  81 -16.156  -4.280   0.906
  525    H    GLY  82           H        GLY  82 -12.407  -5.536   2.366
  526    HA2  GLY  82           1HA      GLY  82 -11.206  -7.392   1.647
  527    HA3  GLY  82           2HA      GLY  82 -12.750  -8.224   1.334
  528    H    ARG  83           H        ARG  83 -13.206  -5.557  -0.424
  529    HA   ARG  83           HA       ARG  83 -12.240  -6.797  -2.922
  530    HB3  ARG  83           1HB      ARG  83 -14.295  -4.590  -2.445
  531    HG3  ARG  83           1HG      ARG  83 -13.785  -6.419  -4.830
  532    HD3  ARG  83           1HD      ARG  83 -15.831  -4.199  -4.366
  533    HE   ARG  83           HE       ARG  83 -15.548  -4.081  -6.657
  534   HH11  ARG  83          1HH2      ARG  83 -15.905  -7.502  -5.817
  535   HH12  ARG  83          2HH2      ARG  83 -16.102  -7.979  -7.480
  536   HH21  ARG  83          1HH1      ARG  83 -15.814  -4.772  -8.782
  537   HH22  ARG  83          2HH1      ARG  83 -16.059  -6.454  -9.123
  538    H    GLU  84           H        GLU  84 -10.868  -5.736  -4.264
  539    HA   GLU  84           HA       GLU  84  -9.369  -3.391  -3.419
  540    HB3  GLU  84           1HB      GLU  84  -9.490  -4.869  -6.051
  541    HG3  GLU  84           1HG      GLU  84  -7.768  -2.476  -5.302
  542    H    VAL  85           H        VAL  85 -10.030  -1.396  -3.412
  543    HA   VAL  85           HA       VAL  85 -12.368  -0.518  -5.070
  544    HB   VAL  85           HB       VAL  85 -12.296   1.526  -3.604
  545   HG11  VAL  85          1HG1      VAL  85 -13.460   0.457  -1.784
  546   HG12  VAL  85          2HG1      VAL  85 -13.877  -0.346  -3.307
  547   HG13  VAL  85          3HG1      VAL  85 -12.730  -1.125  -2.185
  548   HG21  VAL  85          3HG2      VAL  85 -11.118   1.504  -1.492
  549   HG22  VAL  85          1HG2      VAL  85 -10.527  -0.140  -1.752
  550   HG23  VAL  85          2HG2      VAL  85  -9.897   1.200  -2.736
  551    H    ALA  86           H        ALA  86  -8.927  -0.166  -4.780
  552    HA   ALA  86           HA       ALA  86  -8.576   1.291  -7.225
  553    HB1  ALA  86           3HB      ALA  86  -7.599   3.361  -6.146
  554    HB2  ALA  86           1HB      ALA  86  -9.333   3.225  -5.861
  555    HB3  ALA  86           2HB      ALA  86  -8.184   2.777  -4.582
  556    H    ARG  87           H        ARG  87  -6.231   1.990  -7.394
  557    HA   ARG  87           HA       ARG  87  -4.425   1.190  -5.328
  558    HB3  ARG  87           1HB      ARG  87  -4.590  -0.962  -6.442
  559    HG3  ARG  87           1HG      ARG  87  -3.514   0.520  -8.877
  560    HD3  ARG  87           1HD      ARG  87  -2.320  -1.570  -8.200
  561    HE   ARG  87           HE       ARG  87  -4.978  -2.694  -8.230
  562   HH11  ARG  87          1HH1      ARG  87  -1.700  -3.657  -9.259
  563   HH12  ARG  87          2HH1      ARG  87  -2.118  -5.348  -9.169
  564   HH21  ARG  87          1HH2      ARG  87  -5.323  -4.868  -7.972
  565   HH22  ARG  87          2HH2      ARG  87  -4.054  -6.006  -8.430
  566    H    VAL  88           H        VAL  88  -2.362   2.118  -5.562
  567    HA   VAL  88           HA       VAL  88  -2.175   4.287  -7.664
  568    HB   VAL  88           HB       VAL  88  -1.315   4.285  -4.783
  569   HG11  VAL  88          1HG1      VAL  88  -0.661   6.359  -6.944
  570   HG12  VAL  88          2HG1      VAL  88  -0.395   6.612  -5.212
  571   HG13  VAL  88          3HG1      VAL  88   0.518   5.365  -6.059
  572   HG21  VAL  88          3HG2      VAL  88  -2.714   6.182  -4.413
  573   HG22  VAL  88          1HG2      VAL  88  -3.053   6.359  -6.158
  574   HG23  VAL  88          2HG2      VAL  88  -3.697   4.970  -5.267
  575    H    VAL  89           H        VAL  89  -0.499   4.197  -8.920
  576    HA   VAL  89           HA       VAL  89   1.861   2.437  -8.294
  577    HB   VAL  89           HB       VAL  89   0.589   3.045 -11.008
  578   HG11  VAL  89          1HG1      VAL  89   3.016   2.814 -11.260
  579   HG12  VAL  89          2HG1      VAL  89   2.996   1.316 -10.308
  580   HG13  VAL  89          3HG1      VAL  89   2.218   1.375 -11.899
  581   HG21  VAL  89          3HG2      VAL  89  -0.764   1.401  -9.734
  582   HG22  VAL  89          1HG2      VAL  89   0.024   0.665 -11.135
  583   HG23  VAL  89          2HG2      VAL  89   0.687   0.393  -9.515
  584    H    ARG  90           H        ARG  90   3.751   3.541  -8.236
  585    HA   ARG  90           HA       ARG  90   5.318   5.137  -8.401
  586    HB3  ARG  90           1HB      ARG  90   4.042   5.876 -11.052
  587    HG3  ARG  90           1HG      ARG  90   6.954   5.728 -10.119
  588    HD3  ARG  90           1HD      ARG  90   5.683   6.714 -12.701
  589    HE   ARG  90           HE       ARG  90   8.282   7.239 -11.555
  590   HH11  ARG  90          1HH1      ARG  90   6.676   6.774 -14.676
  591   HH12  ARG  90          2HH1      ARG  90   7.911   7.648 -15.535
  592   HH21  ARG  90          1HH2      ARG  90   9.815   8.376 -12.730
  593   HH22  ARG  90          2HH2      ARG  90   9.650   8.545 -14.454
  594    HA   PRO  91           HA       PRO  91   2.223   8.314  -6.775
  595    HB3  PRO  91           1HB      PRO  91   2.460   7.730  -4.660
  596    HG3  PRO  91           1HG      PRO  91   4.391   6.558  -3.904
  597    HD3  PRO  91           1HD      PRO  91   3.724   5.427  -5.875
  598    H    GLY  92           H        GLY  92   5.763   9.032  -6.462
  599    HA2  GLY  92           1HA      GLY  92   7.032  10.727  -7.389
  600    HA3  GLY  92           2HA      GLY  92   5.610  11.288  -8.298
  601    H    SER  93           H        SER  93   3.813  12.002  -6.426
  602    HA   SER  93           HA       SER  93   5.064  13.968  -4.571
  603    HB3  SER  93           1HB      SER  93   3.672  15.782  -5.547
  604    HG   SER  93           HG       SER  93   5.804  15.567  -6.407
  605    H    ALA  94           H        ALA  94   3.748  14.545  -2.829
  606    HA   ALA  94           HA       ALA  94   1.710  12.825  -1.948
  607    HB1  ALA  94           3HB      ALA  94   3.109  14.303  -0.523
  608    HB2  ALA  94           1HB      ALA  94   2.247  15.719  -1.168
  609    HB3  ALA  94           2HB      ALA  94   1.387  14.506  -0.201
  610    H    SER  95           H        SER  95   1.348  15.669  -4.016
  611    HA   SER  95           HA       SER  95  -1.462  16.000  -3.825
  612    HB3  SER  95           1HB      SER  95  -0.068  17.609  -4.975
  613    HG   SER  95           HG       SER  95   0.964  17.006  -6.977
  614    H    VAL  96           H        VAL  96   0.365  13.455  -5.515
  615    HA   VAL  96           HA       VAL  96  -2.069  12.449  -6.903
  616    HB   VAL  96           HB       VAL  96   0.729  11.258  -6.622
  617   HG11  VAL  96          1HG1      VAL  96  -1.553  10.495  -8.485
  618   HG12  VAL  96          2HG1      VAL  96   0.098   9.849  -8.577
  619   HG13  VAL  96          3HG1      VAL  96  -0.898   9.510  -7.158
  620   HG21  VAL  96          3HG2      VAL  96   0.833  13.383  -7.883
  621   HG22  VAL  96          1HG2      VAL  96   1.080  12.019  -8.965
  622   HG23  VAL  96          2HG2      VAL  96  -0.494  12.829  -8.931
  623    H    LEU  97           H        LEU  97  -0.005  11.586  -4.105
  624    HA   LEU  97           HA       LEU  97  -1.429   9.121  -3.603
  625    HB3  LEU  97           1HB      LEU  97   0.044  10.226  -1.319
  626    HG   LEU  97           HG       LEU  97   0.615   7.945  -3.293
  627   HD11  LEU  97          1HD1      LEU  97   2.067   7.020  -1.577
  628   HD12  LEU  97          2HD1      LEU  97   1.825   8.449  -0.543
  629   HD13  LEU  97          3HD1      LEU  97   2.656   8.566  -2.132
  630   HD21  LEU  97          3HD2      LEU  97  -1.411   7.353  -2.274
  631   HD22  LEU  97          1HD2      LEU  97  -1.006   8.133  -0.757
  632   HD23  LEU  97          2HD2      LEU  97  -0.215   6.613  -1.184
  633    H    GLU  98           H        GLU  98  -1.520  12.292  -1.932
  634    HA   GLU  98           HA       GLU  98  -3.589  11.696  -0.091
  635    HB3  GLU  98           1HB      GLU  98  -4.024  14.170  -0.149
  636    HG3  GLU  98           1HG      GLU  98  -1.050  13.512   0.004
  637    H    GLU  99           H        GLU  99  -3.842  12.858  -3.487
  638    HA   GLU  99           HA       GLU  99  -6.627  13.259  -3.616
  639    HB3  GLU  99           1HB      GLU  99  -4.586  12.397  -5.689
  640    HG3  GLU  99           1HG      GLU  99  -7.519  12.993  -6.064
  641    H    ALA 100           H        ALA 100  -4.772  10.234  -3.938
  642    HA   ALA 100           HA       ALA 100  -7.167   8.647  -4.512
  643    HB1  ALA 100           3HB      ALA 100  -5.633   6.750  -4.285
  644    HB2  ALA 100           1HB      ALA 100  -4.976   8.003  -5.355
  645    HB3  ALA 100           2HB      ALA 100  -4.348   7.827  -3.696
  646    H    PHE 101           H        PHE 101  -5.145   9.265  -1.565
  647    HA   PHE 101           HA       PHE 101  -6.429   7.389   0.107
  648    HB3  PHE 101           1HB      PHE 101  -5.820   9.350   1.845
  649    HD1  PHE 101           HD2      PHE 101  -3.309   7.659  -0.531
  650    HD2  PHE 101           HD1      PHE 101  -5.109   7.796   3.404
  651    HE1  PHE 101           HE2      PHE 101  -1.725   5.987   0.277
  652    HE2  PHE 101           HE1      PHE 101  -3.502   6.100   4.189
  653    HZ   PHE 101           HZ       PHE 101  -1.783   5.190   2.581
  654    H    GLU 102           H        GLU 102  -7.218  10.882  -0.306
  655    HA   GLU 102           HA       GLU 102  -9.510  10.886   1.376
  656    HB3  GLU 102           1HB      GLU 102  -8.531  12.954   0.755
  657    HG3  GLU 102           1HG      GLU 102  -8.379  12.057  -1.909
  658    H    SER 103           H        SER 103  -9.200   9.968  -2.042
  659    HA   SER 103           HA       SER 103 -12.008   9.895  -2.584
  660    HB3  SER 103           1HB      SER 103  -9.758   8.349  -3.921
  661    HG   SER 103           HG       SER 103 -11.193   8.460  -5.723
  662    H    LEU 104           H        LEU 104  -9.764   7.515  -1.181
  663    HA   LEU 104           HA       LEU 104 -11.822   5.368  -1.358
  664    HB3  LEU 104           1HB      LEU 104  -9.945   3.954  -0.380
  665    HG   LEU 104           HG       LEU 104  -8.932   3.437  -2.339
  666   HD11  LEU 104          1HD1      LEU 104 -11.501   3.530  -2.587
  667   HD12  LEU 104          2HD1      LEU 104 -10.573   3.456  -4.079
  668   HD13  LEU 104          3HD1      LEU 104 -11.247   5.009  -3.533
  669   HD21  LEU 104          3HD2      LEU 104  -7.708   5.529  -2.697
  670   HD22  LEU 104          1HD2      LEU 104  -9.195   6.266  -3.387
  671   HD23  LEU 104          2HD2      LEU 104  -8.392   4.944  -4.206
  672    H    VAL 105           H        VAL 105 -10.213   7.324   1.073
  673    HA   VAL 105           HA       VAL 105 -11.320   5.952   3.343
  674    HB   VAL 105           HB       VAL 105  -9.379   7.763   3.137
  675   HG11  VAL 105          1HG1      VAL 105 -11.646   9.557   4.065
  676   HG12  VAL 105          2HG1      VAL 105  -9.943   9.963   3.853
  677   HG13  VAL 105          3HG1      VAL 105 -10.942   9.608   2.439
  678   HG21  VAL 105          3HG2      VAL 105 -11.120   7.697   5.594
  679   HG22  VAL 105          1HG2      VAL 105  -9.969   6.428   5.108
  680   HG23  VAL 105          2HG2      VAL 105  -9.373   8.056   5.466
  681    H    GLY 106           H        GLY 106 -12.628   8.233   1.084
  682    HA2  GLY 106           1HA      GLY 106 -14.875   8.467   0.666
  683    HA3  GLY 106           2HA      GLY 106 -15.303   8.180   2.375
  684    H    GLU 107           H        GLU 107 -12.795  10.335   2.412
  685    HA   GLU 107           HA       GLU 107 -14.453  12.603   3.118
  686    HB3  GLU 107           1HB      GLU 107 -12.084  13.726   3.133
  687    HG3  GLU 107           1HG      GLU 107 -11.413  12.532   5.223
  688    H    GLY 108           H        GLY 108 -12.975  11.560   0.135
  689    HA2  GLY 108           1HA      GLY 108 -13.242  14.047  -1.343
  690    HA3  GLY 108           2HA      GLY 108 -13.017  12.423  -2.016
  Start of MODEL    7
    1    H1   MET   1           H        MET   1  10.041   6.372  10.559
    2    HA   MET   1           HA       MET   1  11.105   4.347  10.940
    3    HB3  MET   1           1HB      MET   1  10.981   3.416  13.228
    4    HG3  MET   1           1HG      MET   1  11.035   6.464  13.222
    5    HE1  MET   1           3HE      MET   1  12.362   7.815  14.991
    6    HE2  MET   1           1HE      MET   1  13.302   7.076  16.305
    7    HE3  MET   1           2HE      MET   1  13.790   6.820  14.614
    8    H    LYS   2           H        LYS   2   7.643   4.359  11.562
    9    HA   LYS   2           HA       LYS   2   7.192   1.509  11.319
   10    HB3  LYS   2           1HB      LYS   2   4.810   2.153  11.312
   11    HG3  LYS   2           1HG      LYS   2   4.599   3.495  13.329
   12    HD3  LYS   2           1HD      LYS   2   7.019   1.668  13.595
   13    HE3  LYS   2           1HE      LYS   2   6.611   3.141  15.560
   14    HZ1  LYS   2           3HZ      LYS   2   4.058   1.639  15.763
   15    HZ2  LYS   2           1HZ      LYS   2   4.184   3.256  15.515
   16    HZ3  LYS   2           2HZ      LYS   2   4.677   2.607  16.922
   17    H    THR   3           H        THR   3   8.213   3.521   8.961
   18    HA   THR   3           HA       THR   3   6.745   2.635   6.611
   19    HB   THR   3           HB       THR   3   8.746   3.650   5.456
   20    HG1  THR   3           HG1      THR   3   9.952   4.944   7.228
   21   HG21  THR   3          3HG2      THR   3   6.778   5.040   6.066
   22   HG22  THR   3          1HG2      THR   3   8.296   5.960   6.105
   23   HG23  THR   3          2HG2      THR   3   7.544   5.428   7.623
   24    H    ARG   4           H        ARG   4   9.206   1.142   8.572
   25    HA   ARG   4           HA       ARG   4  10.572  -0.416   6.658
   26    HB3  ARG   4           1HB      ARG   4  10.480  -2.009   8.903
   27    HG3  ARG   4           1HG      ARG   4  12.533  -0.948   7.764
   28    HD3  ARG   4           1HD      ARG   4  13.580   0.858   9.155
   29    HE   ARG   4           HE       ARG   4  11.214   2.230   8.119
   30   HH11  ARG   4          1HH1      ARG   4  14.282   0.764   7.103
   31   HH12  ARG   4          2HH1      ARG   4  14.378   1.762   5.682
   32   HH21  ARG   4          1HH2      ARG   4  11.418   3.478   6.312
   33   HH22  ARG   4          2HH2      ARG   4  12.807   3.316   5.260
   34    H    TYR   5           H        TYR   5  10.392  -2.523   5.977
   35    HA   TYR   5           HA       TYR   5   7.607  -3.264   5.364
   36    HB3  TYR   5           1HB      TYR   5   9.028  -4.814   3.725
   37    HD1  TYR   5           HD2      TYR   5   9.525  -1.078   3.980
   38    HD2  TYR   5           HD1      TYR   5   7.586  -4.365   2.017
   39    HE1  TYR   5           HE2      TYR   5   8.547   0.508   2.319
   40    HE2  TYR   5           HE1      TYR   5   6.605  -2.776   0.320
   41    HH   TYR   5           HH       TYR   5   6.692  -0.586  -0.510
   42    H    SER   6           H        SER   6   6.983  -5.537   5.019
   43    HA   SER   6           HA       SER   6   8.134  -7.381   7.056
   44    HB3  SER   6           1HB      SER   6   5.829  -8.186   7.417
   45    HG   SER   6           HG       SER   6   5.047  -6.349   8.522
   46    H    ALA   7           H        ALA   7   8.789  -9.273   6.332
   47    HA   ALA   7           HA       ALA   7   8.073 -10.355   3.647
   48    HB1  ALA   7           3HB      ALA   7   9.892 -11.347   5.892
   49    HB2  ALA   7           1HB      ALA   7   9.690 -12.117   4.307
   50    HB3  ALA   7           2HB      ALA   7  10.409 -10.496   4.418
   51    H    GLU   8           H        GLU   8   7.280 -10.719   7.026
   52    HA   GLU   8           HA       GLU   8   5.776 -13.187   6.805
   53    HB3  GLU   8           1HB      GLU   8   6.902 -12.712   8.852
   54    HG3  GLU   8           1HG      GLU   8   5.698 -10.902  10.374
   55    H    ALA   9           H        ALA   9   4.888 -11.379   4.859
   56    HA   ALA   9           HA       ALA   9   2.384 -10.128   5.582
   57    HB1  ALA   9           3HB      ALA   9   3.633  -9.384   3.625
   58    HB2  ALA   9           1HB      ALA   9   3.542 -11.013   2.899
   59    HB3  ALA   9           2HB      ALA   9   2.074 -10.042   3.092
   60    HA   PRO  10           HA       PRO  10  -0.369 -13.592   5.576
   61    HB3  PRO  10           1HB      PRO  10  -2.038 -12.070   6.081
   62    HG3  PRO  10           1HG      PRO  10  -2.203  -9.958   4.885
   63    HD3  PRO  10           1HD      PRO  10  -0.109 -10.183   6.004
   64    H    ALA  11           H        ALA  11  -1.538 -15.096   4.265
   65    HA   ALA  11           HA       ALA  11  -0.712 -15.375   1.458
   66    HB1  ALA  11           3HB      ALA  11  -1.045 -17.361   2.984
   67    HB2  ALA  11           1HB      ALA  11  -2.779 -16.940   3.088
   68    HB3  ALA  11           2HB      ALA  11  -2.067 -17.416   1.534
   69    H    ARG  12           H        ARG  12  -2.339 -15.472  -0.322
   70    HA   ARG  12           HA       ARG  12  -4.016 -13.190  -0.332
   71    HB3  ARG  12           1HB      ARG  12  -4.959 -15.164  -2.281
   72    HG3  ARG  12           1HG      ARG  12  -3.958 -13.547  -3.882
   73    HD3  ARG  12           1HD      ARG  12  -5.560 -12.238  -1.637
   74    HE   ARG  12           HE       ARG  12  -5.014 -10.317  -2.739
   75   HH11  ARG  12          1HH1      ARG  12  -5.642 -12.733  -5.259
   76   HH12  ARG  12          2HH1      ARG  12  -5.254 -11.604  -6.534
   77   HH21  ARG  12          1HH2      ARG  12  -4.659  -8.915  -4.459
   78   HH22  ARG  12          2HH2      ARG  12  -4.820  -9.509  -6.090
   79    H    ASP  13           H        ASP  13  -4.839 -16.563   0.405
   80    HA   ASP  13           HA       ASP  13  -7.667 -16.191   0.754
   81    HB3  ASP  13           1HB      ASP  13  -6.786 -18.386   0.431
   82    H    GLU  14           H        GLU  14  -5.010 -15.344   2.827
   83    HA   GLU  14           HA       GLU  14  -6.738 -15.151   5.210
   84    HB3  GLU  14           1HB      GLU  14  -3.749 -14.687   4.797
   85    HG3  GLU  14           1HG      GLU  14  -5.435 -14.799   7.324
   86    H    LEU  15           H        LEU  15  -5.141 -13.145   2.780
   87    HA   LEU  15           HA       LEU  15  -5.834 -10.554   3.932
   88    HB3  LEU  15           1HB      LEU  15  -4.796 -11.503   1.216
   89    HG   LEU  15           HG       LEU  15  -5.381  -8.767   2.256
   90   HD11  LEU  15          1HD1      LEU  15  -2.749  -9.417   0.891
   91   HD12  LEU  15          2HD1      LEU  15  -2.959  -8.781   2.519
   92   HD13  LEU  15          3HD1      LEU  15  -3.404  -7.780   1.131
   93   HD21  LEU  15          3HD2      LEU  15  -4.838  -9.879  -0.537
   94   HD22  LEU  15          1HD2      LEU  15  -5.436  -8.252  -0.165
   95   HD23  LEU  15          2HD2      LEU  15  -6.446  -9.659   0.185
   96    H    ASP  16           H        ASP  16  -7.422 -12.816   1.679
   97    HA   ASP  16           HA       ASP  16  -9.493 -11.136   0.713
   98    HB3  ASP  16           1HB      ASP  16  -9.480 -14.106   1.386
   99    H    ARG  17           H        ARG  17  -8.934 -12.328   3.905
  100    HA   ARG  17           HA       ARG  17 -11.646 -12.165   4.940
  101    HB3  ARG  17           1HB      ARG  17 -10.609 -12.536   7.089
  102    HG3  ARG  17           1HG      ARG  17  -9.234 -14.560   6.735
  103    HD3  ARG  17           1HD      ARG  17 -11.560 -14.328   4.782
  104    HE   ARG  17           HE       ARG  17  -9.606 -16.095   4.339
  105   HH11  ARG  17          1HH1      ARG  17 -12.899 -16.643   5.562
  106   HH12  ARG  17          2HH1      ARG  17 -12.964 -18.232   4.869
  107   HH21  ARG  17          1HH2      ARG  17  -9.762 -18.120   3.529
  108   HH22  ARG  17          2HH2      ARG  17 -11.211 -19.062   3.726
  109    H    LEU  18           H        LEU  18  -9.372  -9.794   4.108
  110    HA   LEU  18           HA       LEU  18  -9.681  -7.854   6.144
  111    HB3  LEU  18           1HB      LEU  18  -9.397  -6.208   4.031
  112    HG   LEU  18           HG       LEU  18  -7.208  -8.214   4.721
  113   HD11  LEU  18          1HD1      LEU  18  -7.103  -5.485   3.327
  114   HD12  LEU  18          2HD1      LEU  18  -6.903  -7.050   2.532
  115   HD13  LEU  18          3HD1      LEU  18  -5.708  -6.517   3.723
  116   HD21  LEU  18          3HD2      LEU  18  -7.891  -5.442   5.795
  117   HD22  LEU  18          1HD2      LEU  18  -6.332  -6.248   6.083
  118   HD23  LEU  18          2HD2      LEU  18  -7.830  -6.951   6.724
  119    H    ALA  19           H        ALA  19 -10.818  -5.807   6.136
  120    HA   ALA  19           HA       ALA  19 -13.516  -5.763   4.911
  121    HB1  ALA  19           3HB      ALA  19 -14.620  -5.607   7.114
  122    HB2  ALA  19           1HB      ALA  19 -13.789  -7.158   6.898
  123    HB3  ALA  19           2HB      ALA  19 -13.065  -5.901   7.924
  124    H    GLY  20           H        GLY  20 -11.380  -4.065   7.275
  125    HA2  GLY  20           1HA      GLY  20 -12.660  -1.499   6.737
  126    HA3  GLY  20           2HA      GLY  20 -11.211  -1.784   7.725
  127    HA   PRO  21           HA       PRO  21 -10.143   0.104   3.480
  128    HB3  PRO  21           1HB      PRO  21 -10.992   2.208   3.791
  129    HG3  PRO  21           1HG      PRO  21 -11.413   3.056   5.979
  130    HD3  PRO  21           1HD      PRO  21 -12.453   0.931   6.001
  131    H    THR  22           H        THR  22  -8.326  -0.961   3.087
  132    HA   THR  22           HA       THR  22  -5.922  -0.588   4.852
  133    HB   THR  22           HB       THR  22  -6.895  -3.191   3.650
  134    HG1  THR  22           HG1      THR  22  -8.108  -2.547   5.406
  135   HG21  THR  22          3HG2      THR  22  -5.102  -4.178   5.102
  136   HG22  THR  22          1HG2      THR  22  -4.515  -2.555   5.473
  137   HG23  THR  22          2HG2      THR  22  -4.450  -3.176   3.802
  138    H    LEU  23           H        LEU  23  -4.228   0.096   3.737
  139    HA   LEU  23           HA       LEU  23  -4.164  -0.187   0.798
  140    HB3  LEU  23           1HB      LEU  23  -2.375   1.336   2.747
  141    HG   LEU  23           HG       LEU  23  -1.191   1.051   0.644
  142   HD11  LEU  23          1HD1      LEU  23  -2.668   0.451  -0.980
  143   HD12  LEU  23          2HD1      LEU  23  -2.445   2.152  -1.426
  144   HD13  LEU  23          3HD1      LEU  23  -3.874   1.660  -0.517
  145   HD21  LEU  23          3HD2      LEU  23  -0.974   3.371  -0.059
  146   HD22  LEU  23          1HD2      LEU  23  -1.045   3.206   1.703
  147   HD23  LEU  23          2HD2      LEU  23  -2.470   3.791   0.798
  148    H    VAL  24           H        VAL  24  -2.978  -1.741  -0.158
  149    HA   VAL  24           HA       VAL  24  -0.890  -3.187   1.427
  150    HB   VAL  24           HB       VAL  24  -2.270  -4.126  -1.125
  151   HG11  VAL  24          1HG1      VAL  24  -0.063  -5.163  -0.694
  152   HG12  VAL  24          2HG1      VAL  24  -0.560  -5.586   0.949
  153   HG13  VAL  24          3HG1      VAL  24  -1.357  -6.353  -0.447
  154   HG21  VAL  24          3HG2      VAL  24  -3.588  -5.651   0.309
  155   HG22  VAL  24          1HG2      VAL  24  -2.924  -4.866   1.758
  156   HG23  VAL  24          2HG2      VAL  24  -3.973  -3.968   0.635
  157    H    GLU  25           H        GLU  25   1.065  -2.628   1.065
  158    HA   GLU  25           HA       GLU  25   1.904  -1.149  -1.396
  159    HB3  GLU  25           1HB      GLU  25   2.575  -1.105   1.561
  160    HG3  GLU  25           1HG      GLU  25   4.756  -0.960   0.363
  161    H    PHE  26           H        PHE  26   3.474  -1.928  -2.653
  162    HA   PHE  26           HA       PHE  26   4.970  -4.383  -1.822
  163    HB3  PHE  26           1HB      PHE  26   5.068  -4.867  -4.231
  164    HD1  PHE  26           HD2      PHE  26   3.978  -6.712  -2.871
  165    HD2  PHE  26           HD1      PHE  26   1.742  -3.357  -4.405
  166    HE1  PHE  26           HE2      PHE  26   1.853  -7.901  -2.389
  167    HE2  PHE  26           HE1      PHE  26  -0.384  -4.560  -3.935
  168    HZ   PHE  26           HZ       PHE  26  -0.319  -6.792  -2.875
  169    H    GLY  27           H        GLY  27   7.122  -4.341  -1.724
  170    HA2  GLY  27           1HA      GLY  27   9.027  -3.025  -3.220
  171    HA3  GLY  27           2HA      GLY  27   8.536  -1.824  -2.041
  172    H    THR  28           H        THR  28  10.541  -1.824  -0.946
  173    HA   THR  28           HA       THR  28  10.887  -3.920   1.088
  174    HB   THR  28           HB       THR  28  13.310  -4.098   0.788
  175    HG1  THR  28           HG1      THR  28  14.170  -3.289  -1.210
  176   HG21  THR  28          3HG2      THR  28  13.418  -5.520  -1.172
  177   HG22  THR  28          1HG2      THR  28  11.929  -4.821  -1.820
  178   HG23  THR  28          2HG2      THR  28  11.875  -5.784  -0.335
  179    H    ASP  29           H        ASP  29  12.743  -3.068   2.665
  180    HA   ASP  29           HA       ASP  29  11.931  -0.307   3.279
  181    HB3  ASP  29           1HB      ASP  29  11.950  -2.105   5.021
  182    H    TRP  30           H        TRP  30  14.173  -1.568   1.271
  183    HA   TRP  30           HA       TRP  30  16.288   0.448   1.863
  184    HB3  TRP  30           1HB      TRP  30  17.013  -1.639   2.645
  185    HD1  TRP  30           HD       TRP  30  15.779  -3.865   2.859
  186    HE1  TRP  30           HE1      TRP  30  15.446  -5.926   1.385
  187    HE3  TRP  30           HE3      TRP  30  17.541  -1.971  -1.575
  188    HZ2  TRP  30           HZ2      TRP  30  15.782  -6.630  -1.389
  189    HZ3  TRP  30           HZ3      TRP  30  17.538  -3.368  -3.600
  190    HH2  TRP  30           HH       TRP  30  16.661  -5.698  -3.535
  191    H    CYS  31           H        CYS  31  14.310  -0.803  -0.814
  192    HA   CYS  31           HA       CYS  31  16.102  -0.033  -2.915
  193    HB2  CYS  31           1HB      CYS  31  14.135  -1.462  -3.301
  194    HB3  CYS  31           2HB      CYS  31  13.056  -0.118  -2.919
  195    H    GLY  32           H        GLY  32  16.308   1.836  -4.117
  196    HA2  GLY  32           1HA      GLY  32  15.907   4.407  -2.839
  197    HA3  GLY  32           2HA      GLY  32  16.485   4.115  -4.491
  198    H    HIS  33           H        HIS  33  13.847   2.506  -5.004
  199    HA   HIS  33           HA       HIS  33  12.043   4.719  -5.669
  200    HB2  HIS  33           1HB      HIS  33  11.599   1.703  -5.362
  201    HB3  HIS  33           2HB      HIS  33  10.366   2.845  -5.856
  202    HD1  HIS  33           HD1      HIS  33  12.039   0.336  -7.497
  203    HD2  HIS  33           HD2      HIS  33  11.486   4.440  -8.166
  204    HE1  HIS  33           HE1      HIS  33  11.953   0.641 -10.030
  205    H    CYS  34           H        CYS  34  12.116   2.208  -3.146
  206    HA   CYS  34           HA       CYS  34   9.838   3.088  -1.689
  207    HB3  CYS  34           1HB      CYS  34  11.130   1.747   0.162
  208    HG   CYS  34           HG       CYS  34   8.978   0.842  -0.984
  209    H    GLN  35           H        GLN  35  13.270   4.086  -1.374
  210    HA   GLN  35           HA       GLN  35  12.847   5.378   1.140
  211    HB3  GLN  35           1HB      GLN  35  14.915   6.650   0.696
  212    HG3  GLN  35           1HG      GLN  35  16.520   4.956   0.353
  213   HE21  GLN  35          2HE2      GLN  35  14.406   2.334   0.320
  214   HE22  GLN  35          1HE2      GLN  35  14.366   2.075   2.068
  215    H    ALA  36           H        ALA  36  12.030   6.351  -2.048
  216    HA   ALA  36           HA       ALA  36  11.470   9.185  -1.385
  217    HB1  ALA  36           3HB      ALA  36  12.487   8.572  -3.560
  218    HB2  ALA  36           1HB      ALA  36  11.073   7.567  -3.951
  219    HB3  ALA  36           2HB      ALA  36  10.887   9.320  -3.778
  220    H    ALA  37           H        ALA  37   9.644   6.173  -2.106
  221    HA   ALA  37           HA       ALA  37   7.064   7.529  -1.905
  222    HB1  ALA  37           3HB      ALA  37   7.430   5.662  -3.462
  223    HB2  ALA  37           1HB      ALA  37   7.755   4.575  -2.089
  224    HB3  ALA  37           2HB      ALA  37   6.136   5.308  -2.305
  225    H    GLN  38           H        GLN  38   9.049   5.636   0.349
  226    HA   GLN  38           HA       GLN  38   7.079   4.989   2.283
  227    HB3  GLN  38           1HB      GLN  38   9.169   5.201   3.859
  228    HG3  GLN  38           1HG      GLN  38   9.102   3.271   1.491
  229   HE21  GLN  38          2HE2      GLN  38   9.567   1.477   4.241
  230   HE22  GLN  38          1HE2      GLN  38  11.322   1.459   4.222
  231    HA   PRO  39           HA       PRO  39   7.677   9.117   4.600
  232    HB3  PRO  39           1HB      PRO  39   9.775  10.033   4.372
  233    HG3  PRO  39           1HG      PRO  39  10.952   9.950   2.279
  234    HD3  PRO  39           1HD      PRO  39  10.386   7.736   2.880
  235    H    LEU  40           H        LEU  40   6.999   8.887   1.175
  236    HA   LEU  40           HA       LEU  40   5.230  11.163   0.915
  237    HB3  LEU  40           1HB      LEU  40   4.770   8.708  -0.751
  238    HG   LEU  40           HG       LEU  40   4.743   9.985  -2.594
  239   HD11  LEU  40          1HD1      LEU  40   3.897  12.196  -0.692
  240   HD12  LEU  40          2HD1      LEU  40   2.961  10.705  -0.830
  241   HD13  LEU  40          3HD1      LEU  40   3.198  11.693  -2.263
  242   HD21  LEU  40          3HD2      LEU  40   6.356  12.139  -1.175
  243   HD22  LEU  40          1HD2      LEU  40   5.744  12.226  -2.855
  244   HD23  LEU  40          2HD2      LEU  40   6.935  10.992  -2.406
  245    H    LEU  41           H        LEU  41   4.695   7.652   1.306
  246    HA   LEU  41           HA       LEU  41   1.876   7.796   1.791
  247    HB3  LEU  41           1HB      LEU  41   2.459   5.524   3.060
  248    HG   LEU  41           HG       LEU  41   2.487   4.183   1.156
  249   HD11  LEU  41          1HD1      LEU  41   0.398   5.322   1.480
  250   HD12  LEU  41          2HD1      LEU  41   0.691   4.976  -0.240
  251   HD13  LEU  41          3HD1      LEU  41   0.892   6.625   0.382
  252   HD21  LEU  41          3HD2      LEU  41   3.533   6.535  -0.422
  253   HD22  LEU  41          1HD2      LEU  41   2.960   5.009  -1.133
  254   HD23  LEU  41          2HD2      LEU  41   4.350   5.006  -0.054
  255    H    ALA  42           H        ALA  42   4.674   7.696   4.037
  256    HA   ALA  42           HA       ALA  42   3.218   7.744   6.446
  257    HB1  ALA  42           3HB      ALA  42   5.296   8.516   7.450
  258    HB2  ALA  42           1HB      ALA  42   5.661   7.320   6.193
  259    HB3  ALA  42           2HB      ALA  42   5.905   9.053   5.871
  260    H    GLU  43           H        GLU  43   4.119  10.528   4.386
  261    HA   GLU  43           HA       GLU  43   3.043  12.518   6.204
  262    HB3  GLU  43           1HB      GLU  43   3.047  13.935   4.043
  263    HG3  GLU  43           1HG      GLU  43   5.631  13.803   3.903
  264    H    VAL  44           H        VAL  44   1.689  10.883   3.274
  265    HA   VAL  44           HA       VAL  44  -0.811  12.232   3.334
  266    HB   VAL  44           HB       VAL  44  -0.242   9.440   2.319
  267   HG11  VAL  44          1HG1      VAL  44  -2.164   9.885   0.811
  268   HG12  VAL  44          2HG1      VAL  44  -2.557   9.595   2.520
  269   HG13  VAL  44          3HG1      VAL  44  -2.607  11.229   1.887
  270   HG21  VAL  44          3HG2      VAL  44  -0.441  11.533   0.354
  271   HG22  VAL  44          1HG2      VAL  44   0.966  11.695   1.414
  272   HG23  VAL  44          2HG2      VAL  44   0.685  10.162   0.566
  273    H    PHE  45           H        PHE  45   0.064   9.041   4.699
  274    HA   PHE  45           HA       PHE  45  -2.349   8.411   6.048
  275    HB3  PHE  45           1HB      PHE  45  -0.503   7.224   7.605
  276    HD1  PHE  45           HD2      PHE  45  -2.689   5.947   7.189
  277    HD2  PHE  45           HD1      PHE  45   0.627   5.990   4.414
  278    HE1  PHE  45           HE2      PHE  45  -3.407   3.779   6.226
  279    HE2  PHE  45           HE1      PHE  45  -0.082   3.820   3.536
  280    HZ   PHE  45           HZ       PHE  45  -2.151   2.743   4.388
  281    H    SER  46           H        SER  46  -0.112  10.958   6.789
  282    HA   SER  46           HA       SER  46  -0.533  10.992   9.661
  283    HB3  SER  46           1HB      SER  46   0.084  13.422   7.981
  284    HG   SER  46           HG       SER  46   1.402  13.859   9.831
  285    H    ASP  47           H        ASP  47  -2.497  12.043   6.931
  286    HA   ASP  47           HA       ASP  47  -4.432  13.413   8.749
  287    HB3  ASP  47           1HB      ASP  47  -4.454  13.248   5.721
  288    H    TYR  48           H        TYR  48  -3.901  10.361   7.364
  289    HA   TYR  48           HA       TYR  48  -6.769   9.570   7.728
  290    HB3  TYR  48           1HB      TYR  48  -6.647   8.141   5.809
  291    HD1  TYR  48           HD1      TYR  48  -8.223  10.239   5.506
  292    HD2  TYR  48           HD2      TYR  48  -4.125  10.066   4.220
  293    HE1  TYR  48           HE1      TYR  48  -8.636  12.110   3.938
  294    HE2  TYR  48           HE2      TYR  48  -4.463  12.090   2.829
  295    HH   TYR  48           HH       TYR  48  -5.972  13.640   2.057
  296    HA   PRO  49           HA       PRO  49  -3.615   6.819  10.073
  297    HB3  PRO  49           1HB      PRO  49  -3.127   8.281  11.783
  298    HG3  PRO  49           1HG      PRO  49  -4.694   9.961  12.467
  299    HD3  PRO  49           1HD      PRO  49  -4.319  10.223  10.136
  300    H    GLU  50           H        GLU  50  -7.118   7.263  10.177
  301    HA   GLU  50           HA       GLU  50  -7.765   4.755  11.383
  302    HB3  GLU  50           1HB      GLU  50  -9.336   6.616  11.240
  303    HG3  GLU  50           1HG      GLU  50  -9.548   5.984   8.248
  304    H    VAL  51           H        VAL  51  -6.386   5.377   8.283
  305    HA   VAL  51           HA       VAL  51  -7.439   2.910   7.009
  306    HB   VAL  51           HB       VAL  51  -5.348   4.896   6.040
  307   HG11  VAL  51          1HG1      VAL  51  -5.057   2.671   4.935
  308   HG12  VAL  51          2HG1      VAL  51  -6.765   2.687   4.467
  309   HG13  VAL  51          3HG1      VAL  51  -5.652   3.882   3.804
  310   HG21  VAL  51          3HG2      VAL  51  -8.264   4.597   5.208
  311   HG22  VAL  51          1HG2      VAL  51  -7.582   5.925   6.167
  312   HG23  VAL  51          2HG2      VAL  51  -7.082   5.712   4.489
  313    H    GLY  52           H        GLY  52  -6.219   1.011   6.815
  314    HA2  GLY  52           1HA      GLY  52  -3.846   0.684   8.584
  315    HA3  GLY  52           2HA      GLY  52  -4.763  -0.598   7.766
  316    H    HIS  53           H        HIS  53  -1.858  -0.316   7.799
  317    HA   HIS  53           HA       HIS  53  -1.418  -0.116   4.849
  318    HB2  HIS  53           1HB      HIS  53  -0.627   1.919   6.275
  319    HB3  HIS  53           2HB      HIS  53   0.628   0.840   6.859
  320    HD1  HIS  53           HD1      HIS  53   2.365   2.581   5.612
  321    HD2  HIS  53           HD2      HIS  53  -0.293   0.493   3.104
  322    HE1  HIS  53           HE1      HIS  53   3.270   2.785   3.230
  323    H    LEU  54           H        LEU  54  -0.762  -2.048   4.117
  324    HA   LEU  54           HA       LEU  54   0.914  -3.818   5.841
  325    HB3  LEU  54           1HB      LEU  54  -0.998  -4.348   3.535
  326    HG   LEU  54           HG       LEU  54   0.837  -5.961   3.261
  327   HD11  LEU  54          1HD1      LEU  54   0.326  -6.705   6.167
  328   HD12  LEU  54          2HD1      LEU  54   1.812  -5.975   5.516
  329   HD13  LEU  54          3HD1      LEU  54   1.356  -7.608   5.022
  330   HD21  LEU  54          3HD2      LEU  54  -1.594  -7.218   4.582
  331   HD22  LEU  54          1HD2      LEU  54  -0.514  -7.967   3.378
  332   HD23  LEU  54          2HD2      LEU  54  -1.549  -6.609   2.913
  333    H    LYS  55           H        LYS  55   3.013  -3.419   5.424
  334    HA   LYS  55           HA       LYS  55   3.965  -2.706   2.707
  335    HB3  LYS  55           1HB      LYS  55   6.140  -2.522   3.854
  336    HG3  LYS  55           1HG      LYS  55   4.566  -0.541   3.666
  337    HD3  LYS  55           1HD      LYS  55   3.042  -0.886   5.554
  338    HE3  LYS  55           1HE      LYS  55   5.537  -0.739   7.314
  339    HZ1  LYS  55           3HZ      LYS  55   3.653   0.357   8.319
  340    HZ2  LYS  55           1HZ      LYS  55   3.909  -1.053   9.099
  341    HZ3  LYS  55           2HZ      LYS  55   2.669  -0.930   8.047
  342    H    VAL  56           H        VAL  56   3.988  -4.474   1.416
  343    HA   VAL  56           HA       VAL  56   4.858  -7.151   2.378
  344    HB   VAL  56           HB       VAL  56   3.867  -6.319  -0.384
  345   HG11  VAL  56          1HG1      VAL  56   4.100  -9.072   0.905
  346   HG12  VAL  56          2HG1      VAL  56   3.397  -8.726  -0.677
  347   HG13  VAL  56          3HG1      VAL  56   5.114  -8.436  -0.413
  348   HG21  VAL  56          3HG2      VAL  56   2.255  -7.508   1.910
  349   HG22  VAL  56          1HG2      VAL  56   2.093  -5.873   1.234
  350   HG23  VAL  56          2HG2      VAL  56   1.686  -7.263   0.236
  351    H    GLU  57           H        GLU  57   6.840  -7.702   2.362
  352    HA   GLU  57           HA       GLU  57   8.822  -6.224   0.907
  353    HB3  GLU  57           1HB      GLU  57   9.362  -8.781   2.427
  354    HG3  GLU  57           1HG      GLU  57  10.709  -6.067   2.214
  355    H    ASP  58           H        ASP  58   9.781  -6.651  -0.954
  356    HA   ASP  58           HA       ASP  58   9.133  -8.831  -2.693
  357    HB3  ASP  58           1HB      ASP  58  11.532  -6.979  -2.821
  358    H    GLY  59           H        GLY  59  10.410 -10.567  -3.425
  359    HA2  GLY  59           1HA      GLY  59  12.073 -12.303  -3.179
  360    HA3  GLY  59           2HA      GLY  59  12.462 -11.686  -1.570
  361    HA   PRO  60           HA       PRO  60   9.341 -14.848  -0.430
  362    HB3  PRO  60           1HB      PRO  60  10.705 -15.479   1.317
  363    HG3  PRO  60           1HG      PRO  60  12.111 -13.912   2.430
  364    HD3  PRO  60           1HD      PRO  60  12.656 -13.585   0.162
  365    H    GLY  61           H        GLY  61   7.419 -14.088  -1.059
  366    HA2  GLY  61           1HA      GLY  61   5.317 -12.952  -0.151
  367    HA3  GLY  61           2HA      GLY  61   6.325 -11.514   0.040
  368    H    ARG  62           H        ARG  62   7.596 -12.643  -2.725
  369    HA   ARG  62           HA       ARG  62   6.340 -10.878  -4.506
  370    HB3  ARG  62           1HB      ARG  62   7.277 -12.533  -6.309
  371    HG3  ARG  62           1HG      ARG  62   9.051 -11.237  -4.214
  372    HD3  ARG  62           1HD      ARG  62   9.756 -12.235  -7.004
  373    HE   ARG  62           HE       ARG  62  11.031 -10.209  -5.680
  374   HH11  ARG  62          1HH1      ARG  62  12.103 -13.479  -6.551
  375   HH12  ARG  62          2HH1      ARG  62  13.776 -13.017  -6.491
  376   HH21  ARG  62          1HH2      ARG  62  13.108  -9.733  -5.526
  377   HH22  ARG  62          2HH2      ARG  62  14.367 -10.889  -5.948
  378    H    ARG  63           H        ARG  63   5.277 -14.178  -3.732
  379    HA   ARG  63           HA       ARG  63   3.483 -14.621  -5.874
  380    HB3  ARG  63           1HB      ARG  63   2.266 -16.102  -4.251
  381    HG3  ARG  63           1HG      ARG  63   5.303 -16.406  -4.209
  382    HD3  ARG  63           1HD      ARG  63   3.028 -18.422  -3.926
  383    HE   ARG  63           HE       ARG  63   5.716 -18.833  -4.791
  384   HH11  ARG  63          1HH1      ARG  63   3.433 -20.270  -2.492
  385   HH12  ARG  63          2HH1      ARG  63   4.188 -21.832  -2.580
  386   HH21  ARG  63          1HH2      ARG  63   6.621 -20.879  -4.875
  387   HH22  ARG  63          2HH2      ARG  63   5.953 -22.176  -3.921
  388    H    LEU  64           H        LEU  64   2.997 -12.647  -2.923
  389    HA   LEU  64           HA       LEU  64   0.176 -12.222  -3.366
  390    HB3  LEU  64           1HB      LEU  64   2.165 -10.504  -1.818
  391    HG   LEU  64           HG       LEU  64  -0.024  -9.387  -1.885
  392   HD11  LEU  64          1HD1      LEU  64  -1.123 -12.092  -0.997
  393   HD12  LEU  64          2HD1      LEU  64  -1.545 -11.166  -2.462
  394   HD13  LEU  64          3HD1      LEU  64  -2.044 -10.581  -0.880
  395   HD21  LEU  64          3HD2      LEU  64  -0.401  -9.243   0.496
  396   HD22  LEU  64          1HD2      LEU  64   1.332  -9.540   0.268
  397   HD23  LEU  64          2HD2      LEU  64   0.269 -10.860   0.774
  398    H    GLY  65           H        GLY  65   3.017 -10.085  -4.096
  399    HA2  GLY  65           1HA      GLY  65   1.561  -8.124  -5.550
  400    HA3  GLY  65           2HA      GLY  65   3.295  -8.467  -5.729
  401    H    ARG  66           H        ARG  66   2.858 -11.212  -6.688
  402    HA   ARG  66           HA       ARG  66   2.281 -10.874  -9.480
  403    HB3  ARG  66           1HB      ARG  66   2.392 -13.401  -7.792
  404    HG3  ARG  66           1HG      ARG  66   2.729 -12.980 -10.793
  405    HD3  ARG  66           1HD      ARG  66   3.057 -15.456  -9.024
  406    HE   ARG  66           HE       ARG  66   2.317 -16.463 -10.959
  407   HH11  ARG  66          1HH1      ARG  66   4.729 -14.059 -11.930
  408   HH12  ARG  66          2HH1      ARG  66   4.814 -14.666 -13.556
  409   HH21  ARG  66          1HH2      ARG  66   2.486 -17.210 -13.058
  410   HH22  ARG  66          2HH2      ARG  66   3.574 -16.452 -14.170
  411    H    SER  67           H        SER  67   0.261 -12.312  -6.818
  412    HA   SER  67           HA       SER  67  -2.051 -12.666  -8.549
  413    HB3  SER  67           1HB      SER  67  -3.177 -13.236  -6.391
  414    HG   SER  67           HG       SER  67  -1.806 -15.052  -5.955
  415    H    PHE  68           H        PHE  68  -0.807  -9.909  -6.888
  416    HA   PHE  68           HA       PHE  68  -3.322  -8.408  -7.230
  417    HB3  PHE  68           1HB      PHE  68  -1.491  -6.510  -6.692
  418    HD1  PHE  68           HD1      PHE  68  -3.695  -5.896  -5.822
  419    HD2  PHE  68           HD2      PHE  68  -1.294  -8.915  -3.956
  420    HE1  PHE  68           HE1      PHE  68  -4.946  -5.589  -3.699
  421    HE2  PHE  68           HE2      PHE  68  -2.528  -8.608  -1.830
  422    HZ   PHE  68           HZ       PHE  68  -4.365  -6.925  -1.697
  423    H    GLN  69           H        GLN  69  -0.782  -9.434  -9.262
  424    HA   GLN  69           HA       GLN  69   0.044  -8.768 -11.258
  425    HB3  GLN  69           1HB      GLN  69  -1.606  -7.969 -12.901
  426    HG3  GLN  69           1HG      GLN  69  -1.472 -10.396 -12.212
  427   HE21  GLN  69          2HE2      GLN  69  -4.092  -8.672 -10.390
  428   HE22  GLN  69          1HE2      GLN  69  -4.475 -10.125  -9.477
  429    H    VAL  70           H        VAL  70   1.086  -7.273  -9.438
  430    HA   VAL  70           HA       VAL  70   0.666  -4.462  -9.509
  431    HB   VAL  70           HB       VAL  70   2.975  -6.222  -8.669
  432   HG11  VAL  70          1HG1      VAL  70   4.046  -4.159  -7.642
  433   HG12  VAL  70          2HG1      VAL  70   4.165  -4.224  -9.399
  434   HG13  VAL  70          3HG1      VAL  70   2.960  -3.173  -8.635
  435   HG21  VAL  70          3HG2      VAL  70   0.937  -6.097  -7.260
  436   HG22  VAL  70          1HG2      VAL  70   2.369  -5.459  -6.442
  437   HG23  VAL  70          2HG2      VAL  70   1.166  -4.339  -7.100
  438    H    LYS  71           H        LYS  71   1.318  -2.832 -10.774
  439    HA   LYS  71           HA       LYS  71   1.939  -3.581 -13.505
  440    HB3  LYS  71           1HB      LYS  71   1.352  -1.292 -14.024
  441    HG3  LYS  71           1HG      LYS  71  -0.821  -0.999 -13.080
  442    HD3  LYS  71           1HD      LYS  71  -0.221  -3.976 -13.312
  443    HE3  LYS  71           1HE      LYS  71  -2.919  -2.634 -13.666
  444    HZ1  LYS  71           3HZ      LYS  71  -3.648  -4.894 -13.173
  445    HZ2  LYS  71           1HZ      LYS  71  -2.093  -5.374 -12.883
  446    HZ3  LYS  71           2HZ      LYS  71  -2.574  -4.969 -14.408
  447    H    LEU  72           H        LEU  72   3.584  -1.420 -11.189
  448    HA   LEU  72           HA       LEU  72   6.070  -1.501 -12.859
  449    HB3  LEU  72           1HB      LEU  72   5.245   0.506 -10.717
  450    HG   LEU  72           HG       LEU  72   7.729   0.468 -11.214
  451   HD11  LEU  72          1HD1      LEU  72   7.734  -0.249 -13.553
  452   HD12  LEU  72          2HD1      LEU  72   8.480   1.345 -13.418
  453   HD13  LEU  72          3HD1      LEU  72   6.818   1.206 -14.026
  454   HD21  LEU  72          3HD2      LEU  72   6.535   2.532 -10.499
  455   HD22  LEU  72          1HD2      LEU  72   6.232   2.933 -12.207
  456   HD23  LEU  72          2HD2      LEU  72   7.898   2.881 -11.592
  457    H    TRP  73           H        TRP  73   6.782  -0.503  -9.812
  458    HA   TRP  73           HA       TRP  73   6.685  -3.131  -8.452
  459    HB3  TRP  73           1HB      TRP  73   9.219  -1.531  -8.617
  460    HD1  TRP  73           HD       TRP  73   8.660  -5.315  -8.286
  461    HE1  TRP  73           HE1      TRP  73   9.862  -6.150  -6.177
  462    HE3  TRP  73           HE3      TRP  73  10.054  -0.789  -6.302
  463    HZ2  TRP  73           HZ2      TRP  73  11.544  -4.993  -4.092
  464    HZ3  TRP  73           HZ3      TRP  73  11.360  -0.691  -4.230
  465    HH2  TRP  73           HH       TRP  73  12.167  -2.775  -3.141
  466    HA   PRO  74           HA       PRO  74   6.728   0.321  -5.244
  467    HB3  PRO  74           1HB      PRO  74   8.375   1.921  -5.523
  468    HG3  PRO  74           1HG      PRO  74   8.888   2.778  -7.719
  469    HD3  PRO  74           1HD      PRO  74   9.129   0.465  -7.884
  470    H    THR  75           H        THR  75   4.621  -0.245  -5.141
  471    HA   THR  75           HA       THR  75   2.481   1.315  -6.458
  472    HB   THR  75           HB       THR  75   3.111  -1.620  -7.038
  473    HG1  THR  75           HG1      THR  75   3.769   0.496  -8.273
  474   HG21  THR  75          3HG2      THR  75   0.726  -1.578  -6.687
  475   HG22  THR  75          1HG2      THR  75   1.008  -1.593  -8.423
  476   HG23  THR  75          2HG2      THR  75   0.546  -0.077  -7.615
  477    H    PHE  76           H        PHE  76   0.704   1.307  -5.285
  478    HA   PHE  76           HA       PHE  76   0.392  -0.697  -3.147
  479    HB3  PHE  76           1HB      PHE  76   1.255   0.882  -1.737
  480    HD1  PHE  76           HD1      PHE  76   2.942   2.067  -3.108
  481    HD2  PHE  76           HD2      PHE  76  -1.078   3.515  -2.590
  482    HE1  PHE  76           HE1      PHE  76   3.661   4.294  -3.906
  483    HE2  PHE  76           HE2      PHE  76  -0.337   5.760  -3.297
  484    HZ   PHE  76           HZ       PHE  76   1.999   6.123  -4.075
  485    H    VAL  77           H        VAL  77  -1.477  -1.478  -2.922
  486    HA   VAL  77           HA       VAL  77  -3.700  -0.521  -4.667
  487    HB   VAL  77           HB       VAL  77  -3.178  -3.312  -3.569
  488   HG11  VAL  77          1HG1      VAL  77  -5.552  -2.939  -4.061
  489   HG12  VAL  77          2HG1      VAL  77  -5.154  -2.298  -5.649
  490   HG13  VAL  77          3HG1      VAL  77  -4.862  -3.995  -5.289
  491   HG21  VAL  77          3HG2      VAL  77  -1.396  -2.739  -5.156
  492   HG22  VAL  77          1HG2      VAL  77  -2.507  -3.885  -5.899
  493   HG23  VAL  77          2HG2      VAL  77  -2.579  -2.171  -6.336
  494    H    PHE  78           H        PHE  78  -5.500   0.214  -3.783
  495    HA   PHE  78           HA       PHE  78  -5.794   0.182  -0.826
  496    HB3  PHE  78           1HB      PHE  78  -7.634   1.798  -1.253
  497    HD1  PHE  78           HD2      PHE  78  -4.969   2.381  -3.826
  498    HD2  PHE  78           HD1      PHE  78  -6.395   3.400   0.125
  499    HE1  PHE  78           HE2      PHE  78  -3.237   4.101  -3.642
  500    HE2  PHE  78           HE1      PHE  78  -4.722   5.212   0.234
  501    HZ   PHE  78           HZ       PHE  78  -3.138   5.564  -1.681
  502    H    LEU  79           H        LEU  79  -6.921  -1.365   0.098
  503    HA   LEU  79           HA       LEU  79  -9.138  -2.709  -1.362
  504    HB3  LEU  79           1HB      LEU  79  -8.710  -4.300   0.763
  505    HG   LEU  79           HG       LEU  79  -8.756  -5.041  -1.537
  506   HD11  LEU  79          1HD1      LEU  79  -6.834  -5.166  -2.928
  507   HD12  LEU  79          2HD1      LEU  79  -5.802  -4.369  -1.699
  508   HD13  LEU  79          3HD1      LEU  79  -7.086  -3.473  -2.527
  509   HD21  LEU  79          3HD2      LEU  79  -7.238  -6.956  -1.225
  510   HD22  LEU  79          1HD2      LEU  79  -8.119  -6.557   0.256
  511   HD23  LEU  79          2HD2      LEU  79  -6.416  -6.077   0.088
  512    H    ARG  80           H        ARG  80 -11.059  -3.071  -0.288
  513    HA   ARG  80           HA       ARG  80 -11.594  -2.294   2.435
  514    HB3  ARG  80           1HB      ARG  80 -13.095  -0.666   0.343
  515    HG3  ARG  80           1HG      ARG  80 -12.657  -0.371   3.351
  516    HD3  ARG  80           1HD      ARG  80 -14.186   1.457   1.445
  517    HE   ARG  80           HE       ARG  80 -14.808   1.170   4.003
  518   HH11  ARG  80          1HH1      ARG  80 -12.874   3.829   2.591
  519   HH12  ARG  80          2HH1      ARG  80 -13.305   4.897   3.887
  520   HH21  ARG  80          1HH2      ARG  80 -15.314   2.653   5.591
  521   HH22  ARG  80          2HH2      ARG  80 -14.657   4.259   5.536
  522    H    ASP  81           H        ASP  81 -13.355  -3.378   3.153
  523    HA   ASP  81           HA       ASP  81 -14.743  -5.161   3.277
  524    HB3  ASP  81           1HB      ASP  81 -15.722  -4.502   0.473
  525    H    GLY  82           H        GLY  82 -12.021  -5.530   2.266
  526    HA2  GLY  82           1HA      GLY  82 -10.667  -7.269   1.606
  527    HA3  GLY  82           2HA      GLY  82 -12.110  -8.275   1.352
  528    H    ARG  83           H        ARG  83 -12.671  -5.618  -0.534
  529    HA   ARG  83           HA       ARG  83 -11.656  -6.912  -3.004
  530    HB3  ARG  83           1HB      ARG  83 -13.861  -4.833  -2.580
  531    HG3  ARG  83           1HG      ARG  83 -13.241  -6.706  -4.909
  532    HD3  ARG  83           1HD      ARG  83 -15.681  -6.311  -4.576
  533    HE   ARG  83           HE       ARG  83 -16.177  -4.170  -3.835
  534   HH11  ARG  83          1HH1      ARG  83 -14.022  -3.764  -6.621
  535   HH12  ARG  83          2HH1      ARG  83 -14.369  -2.068  -6.742
  536   HH21  ARG  83          1HH2      ARG  83 -16.527  -1.982  -4.030
  537   HH22  ARG  83          2HH2      ARG  83 -15.779  -1.079  -5.311
  538    H    GLU  84           H        GLU  84 -10.462  -5.715  -4.439
  539    HA   GLU  84           HA       GLU  84  -9.061  -3.314  -3.597
  540    HB3  GLU  84           1HB      GLU  84  -9.253  -4.753  -6.255
  541    HG3  GLU  84           1HG      GLU  84  -7.636  -2.274  -5.592
  542    H    VAL  85           H        VAL  85  -9.822  -1.359  -3.501
  543    HA   VAL  85           HA       VAL  85 -12.231  -0.544  -5.075
  544    HB   VAL  85           HB       VAL  85 -12.214   1.475  -3.578
  545   HG11  VAL  85          1HG1      VAL  85 -13.689  -0.494  -3.240
  546   HG12  VAL  85          2HG1      VAL  85 -12.477  -1.199  -2.148
  547   HG13  VAL  85          3HG1      VAL  85 -13.283   0.339  -1.737
  548   HG21  VAL  85          3HG2      VAL  85 -10.987   1.480  -1.486
  549   HG22  VAL  85          1HG2      VAL  85 -10.315  -0.114  -1.796
  550   HG23  VAL  85          2HG2      VAL  85  -9.796   1.261  -2.775
  551    H    ALA  86           H        ALA  86  -8.805  -0.038  -4.857
  552    HA   ALA  86           HA       ALA  86  -8.613   1.400  -7.334
  553    HB1  ALA  86           3HB      ALA  86  -8.125   2.924  -4.724
  554    HB2  ALA  86           1HB      ALA  86  -7.678   3.524  -6.325
  555    HB3  ALA  86           2HB      ALA  86  -9.382   3.308  -5.938
  556    H    ARG  87           H        ARG  87  -6.258   2.283  -7.527
  557    HA   ARG  87           HA       ARG  87  -4.374   1.475  -5.542
  558    HB3  ARG  87           1HB      ARG  87  -4.494  -0.630  -6.737
  559    HG3  ARG  87           1HG      ARG  87  -3.524   0.973  -9.152
  560    HD3  ARG  87           1HD      ARG  87  -2.281  -1.126  -8.566
  561    HE   ARG  87           HE       ARG  87  -4.924  -2.284  -8.583
  562   HH11  ARG  87          1HH1      ARG  87  -1.613  -3.148  -9.568
  563   HH12  ARG  87          2HH1      ARG  87  -1.986  -4.853  -9.522
  564   HH21  ARG  87          1HH2      ARG  87  -5.236  -4.460  -8.387
  565   HH22  ARG  87          2HH2      ARG  87  -3.941  -5.569  -8.828
  566    H    VAL  88           H        VAL  88  -2.333   2.429  -5.810
  567    HA   VAL  88           HA       VAL  88  -2.158   4.603  -7.907
  568    HB   VAL  88           HB       VAL  88  -1.339   4.607  -5.023
  569   HG11  VAL  88          1HG1      VAL  88  -0.435   6.949  -5.444
  570   HG12  VAL  88          2HG1      VAL  88   0.495   5.715  -6.303
  571   HG13  VAL  88          3HG1      VAL  88  -0.694   6.696  -7.178
  572   HG21  VAL  88          3HG2      VAL  88  -3.707   5.263  -5.470
  573   HG22  VAL  88          1HG2      VAL  88  -2.733   6.503  -4.673
  574   HG23  VAL  88          2HG2      VAL  88  -3.101   6.638  -6.415
  575    H    VAL  89           H        VAL  89  -0.485   4.422  -9.183
  576    HA   VAL  89           HA       VAL  89   1.821   2.611  -8.502
  577    HB   VAL  89           HB       VAL  89   0.663   3.348 -11.237
  578   HG11  VAL  89          1HG1      VAL  89   3.048   1.565 -10.539
  579   HG12  VAL  89          2HG1      VAL  89   2.290   1.681 -12.144
  580   HG13  VAL  89          3HG1      VAL  89   3.084   3.092 -11.444
  581   HG21  VAL  89          3HG2      VAL  89   0.728   0.635  -9.848
  582   HG22  VAL  89          1HG2      VAL  89  -0.717   1.669 -10.016
  583   HG23  VAL  89          2HG2      VAL  89   0.058   1.006 -11.453
  584    H    ARG  90           H        ARG  90   3.735   3.602  -8.316
  585    HA   ARG  90           HA       ARG  90   5.393   5.112  -8.327
  586    HB3  ARG  90           1HB      ARG  90   4.333   5.983 -11.032
  587    HG3  ARG  90           1HG      ARG  90   7.147   5.659  -9.893
  588    HD3  ARG  90           1HD      ARG  90   6.185   6.796 -12.559
  589    HE   ARG  90           HE       ARG  90   8.622   7.226 -11.213
  590   HH11  ARG  90          1HH1      ARG  90   7.623   6.096 -14.421
  591   HH12  ARG  90          2HH1      ARG  90   9.078   6.667 -15.179
  592   HH21  ARG  90          1HH2      ARG  90  10.483   7.928 -12.249
  593   HH22  ARG  90          2HH2      ARG  90  10.687   7.673 -13.952
  594    HA   PRO  91           HA       PRO  91   2.628   8.634  -6.806
  595    HB3  PRO  91           1HB      PRO  91   2.761   8.035  -4.664
  596    HG3  PRO  91           1HG      PRO  91   4.525   6.642  -3.881
  597    HD3  PRO  91           1HD      PRO  91   3.810   5.531  -5.853
  598    H    GLY  92           H        GLY  92   2.894  10.604  -7.719
  599    HA2  GLY  92           1HA      GLY  92   5.542  11.579  -8.542
  600    HA3  GLY  92           2HA      GLY  92   3.952  12.314  -8.893
  601    H    SER  93           H        SER  93   3.102  12.433  -6.143
  602    HA   SER  93           HA       SER  93   4.838  13.843  -4.386
  603    HB3  SER  93           1HB      SER  93   2.891  15.664  -5.825
  604    HG   SER  93           HG       SER  93   4.158  17.262  -4.678
  605    H    ALA  94           H        ALA  94   3.580  14.754  -2.525
  606    HA   ALA  94           HA       ALA  94   1.498  13.044  -1.564
  607    HB1  ALA  94           3HB      ALA  94   3.063  14.392  -0.180
  608    HB2  ALA  94           1HB      ALA  94   2.252  15.873  -0.735
  609    HB3  ALA  94           2HB      ALA  94   1.370  14.661   0.241
  610    H    SER  95           H        SER  95   1.268  16.026  -3.528
  611    HA   SER  95           HA       SER  95  -1.537  16.490  -3.169
  612    HB3  SER  95           1HB      SER  95  -0.093  18.153  -4.178
  613    HG   SER  95           HG       SER  95   0.779  17.762  -6.301
  614    H    VAL  96           H        VAL  96   0.152  14.067  -5.107
  615    HA   VAL  96           HA       VAL  96  -2.326  13.287  -6.567
  616    HB   VAL  96           HB       VAL  96   0.522  12.214  -6.744
  617   HG11  VAL  96          1HG1      VAL  96  -0.235  11.172  -8.866
  618   HG12  VAL  96          2HG1      VAL  96  -1.036  10.491  -7.459
  619   HG13  VAL  96          3HG1      VAL  96  -1.911  11.657  -8.490
  620   HG21  VAL  96          3HG2      VAL  96  -0.961  14.112  -8.613
  621   HG22  VAL  96          1HG2      VAL  96   0.439  14.522  -7.583
  622   HG23  VAL  96          2HG2      VAL  96   0.629  13.390  -8.921
  623    H    LEU  97           H        LEU  97  -0.059  12.055  -4.084
  624    HA   LEU  97           HA       LEU  97  -1.417   9.511  -3.787
  625    HB3  LEU  97           1HB      LEU  97   0.117  10.525  -1.503
  626    HG   LEU  97           HG       LEU  97   0.597   8.260  -3.501
  627   HD11  LEU  97          1HD1      LEU  97   2.167   7.306  -1.956
  628   HD12  LEU  97          2HD1      LEU  97   1.935   8.644  -0.796
  629   HD13  LEU  97          3HD1      LEU  97   2.678   8.933  -2.385
  630   HD21  LEU  97          3HD2      LEU  97  -1.444   7.852  -2.229
  631   HD22  LEU  97          1HD2      LEU  97  -0.653   8.365  -0.716
  632   HD23  LEU  97          2HD2      LEU  97  -0.186   6.863  -1.514
  633    H    GLU  98           H        GLU  98  -1.585  12.574  -1.848
  634    HA   GLU  98           HA       GLU  98  -3.555  11.616  -0.032
  635    HB3  GLU  98           1HB      GLU  98  -4.134  13.948   0.320
  636    HG3  GLU  98           1HG      GLU  98  -1.147  13.576   0.396
  637    H    GLU  99           H        GLU  99  -3.900  13.080  -3.285
  638    HA   GLU  99           HA       GLU  99  -6.692  13.503  -3.358
  639    HB3  GLU  99           1HB      GLU  99  -4.635  12.823  -5.477
  640    HG3  GLU  99           1HG      GLU  99  -7.556  13.404  -5.853
  641    H    ALA 100           H        ALA 100  -4.811  10.534  -3.876
  642    HA   ALA 100           HA       ALA 100  -7.193   8.940  -4.544
  643    HB1  ALA 100           3HB      ALA 100  -5.613   7.051  -4.449
  644    HB2  ALA 100           1HB      ALA 100  -4.993   8.375  -5.469
  645    HB3  ALA 100           2HB      ALA 100  -4.337   8.142  -3.838
  646    H    PHE 101           H        PHE 101  -5.151   9.469  -1.608
  647    HA   PHE 101           HA       PHE 101  -6.418   7.522  -0.004
  648    HB3  PHE 101           1HB      PHE 101  -5.766   9.416   1.777
  649    HD1  PHE 101           HD2      PHE 101  -3.328   7.876  -0.755
  650    HD2  PHE 101           HD1      PHE 101  -4.975   7.820   3.263
  651    HE1  PHE 101           HE2      PHE 101  -1.656   6.239  -0.033
  652    HE2  PHE 101           HE1      PHE 101  -3.229   6.226   3.947
  653    HZ   PHE 101           HZ       PHE 101  -1.515   5.503   2.261
  654    H    GLU 102           H        GLU 102  -7.212  11.023  -0.271
  655    HA   GLU 102           HA       GLU 102  -9.490  10.981   1.418
  656    HB3  GLU 102           1HB      GLU 102  -8.605  13.078   0.753
  657    HG3  GLU 102           1HG      GLU 102  -8.433  12.169  -1.878
  658    H    SER 103           H        SER 103  -9.221   9.982  -1.957
  659    HA   SER 103           HA       SER 103 -12.068   9.796  -2.370
  660    HB3  SER 103           1HB      SER 103  -9.815   8.471  -3.920
  661    HG   SER 103           HG       SER 103 -11.390   8.650  -5.628
  662    H    LEU 104           H        LEU 104  -9.623   7.566  -1.089
  663    HA   LEU 104           HA       LEU 104 -11.574   5.289  -1.209
  664    HB3  LEU 104           1HB      LEU 104  -9.544   3.934  -0.548
  665    HG   LEU 104           HG       LEU 104  -8.772   3.552  -2.626
  666   HD11  LEU 104          1HD1      LEU 104 -10.584   3.595  -4.170
  667   HD12  LEU 104          2HD1      LEU 104 -11.264   5.072  -3.485
  668   HD13  LEU 104          3HD1      LEU 104 -11.333   3.541  -2.584
  669   HD21  LEU 104          3HD2      LEU 104  -7.651   5.687  -3.034
  670   HD22  LEU 104          1HD2      LEU 104  -9.216   6.424  -3.480
  671   HD23  LEU 104          2HD2      LEU 104  -8.531   5.165  -4.474
  672    H    VAL 105           H        VAL 105  -9.976   7.336   1.137
  673    HA   VAL 105           HA       VAL 105 -10.801   5.825   3.435
  674    HB   VAL 105           HB       VAL 105  -9.049   7.761   3.233
  675   HG11  VAL 105          1HG1      VAL 105  -9.778   9.983   3.767
  676   HG12  VAL 105          2HG1      VAL 105 -10.705   9.439   2.372
  677   HG13  VAL 105          3HG1      VAL 105 -11.450   9.459   3.982
  678   HG21  VAL 105          3HG2      VAL 105  -9.739   6.511   5.306
  679   HG22  VAL 105          1HG2      VAL 105  -9.137   8.159   5.565
  680   HG23  VAL 105          2HG2      VAL 105 -10.883   7.827   5.644
  681    H    GLY 106           H        GLY 106 -12.433   8.032   1.275
  682    HA2  GLY 106           1HA      GLY 106 -14.733   8.205   0.976
  683    HA3  GLY 106           2HA      GLY 106 -15.038   7.559   2.601
  684    H    GLU 107           H        GLU 107 -12.721  10.137   2.430
  685    HA   GLU 107           HA       GLU 107 -14.567  12.032   3.740
  686    HB3  GLU 107           1HB      GLU 107 -12.416  13.516   3.457
  687    HG3  GLU 107           1HG      GLU 107 -11.250  12.336   5.366
  688    H    GLY 108           H        GLY 108 -13.061  11.523   0.583
  689    HA2  GLY 108           1HA      GLY 108 -13.677  12.255  -1.495
  690    HA3  GLY 108           2HA      GLY 108 -15.119  13.004  -0.771
  Start of MODEL    8
    1    H1   MET   1           H        MET   1  13.916   5.218  14.857
    2    HA   MET   1           HA       MET   1  12.785   3.728  16.207
    3    HB3  MET   1           1HB      MET   1  11.430   4.759  18.022
    4    HG3  MET   1           1HG      MET   1  13.906   6.382  17.351
    5    HE1  MET   1           3HE      MET   1  14.993   7.373  20.948
    6    HE2  MET   1           1HE      MET   1  15.446   5.928  20.015
    7    HE3  MET   1           2HE      MET   1  15.335   7.504  19.211
    8    H    LYS   2           H        LYS   2  11.240   5.063  13.699
    9    HA   LYS   2           HA       LYS   2   8.447   4.351  14.233
   10    HB3  LYS   2           1HB      LYS   2   8.271   5.021  11.738
   11    HG3  LYS   2           1HG      LYS   2   7.615   6.564  13.499
   12    HD3  LYS   2           1HD      LYS   2   9.705   6.936  14.800
   13    HE3  LYS   2           1HE      LYS   2  10.630   8.526  12.354
   14    HZ1  LYS   2           3HZ      LYS   2  11.400   9.335  14.544
   15    HZ2  LYS   2           1HZ      LYS   2  12.638   8.788  13.638
   16    HZ3  LYS   2           2HZ      LYS   2  12.071   7.878  14.869
   17    H    THR   3           H        THR   3   7.201   3.070  12.599
   18    HA   THR   3           HA       THR   3   8.177   0.340  12.506
   19    HB   THR   3           HB       THR   3   6.046  -0.193  11.428
   20    HG1  THR   3           HG1      THR   3   4.574   1.725  11.327
   21   HG21  THR   3          3HG2      THR   3   5.641   1.758  13.746
   22   HG22  THR   3          1HG2      THR   3   6.137   0.059  13.908
   23   HG23  THR   3          2HG2      THR   3   4.546   0.463  13.240
   24    H    ARG   4           H        ARG   4   8.080  -0.965  10.510
   25    HA   ARG   4           HA       ARG   4   8.895   0.321   8.004
   26    HB3  ARG   4           1HB      ARG   4  10.982   0.354   9.268
   27    HG3  ARG   4           1HG      ARG   4  12.257  -1.798   9.523
   28    HD3  ARG   4           1HD      ARG   4  11.480  -2.536  11.686
   29    HE   ARG   4           HE       ARG   4  10.731   0.259  12.038
   30   HH11  ARG   4          1HH1      ARG   4  13.577  -1.793  11.490
   31   HH12  ARG   4          2HH1      ARG   4  14.646  -0.608  12.186
   32   HH21  ARG   4          2HH2      ARG   4  12.116   1.686  12.872
   33   HH22  ARG   4          1HH2      ARG   4  13.833   1.363  12.952
   34    H    TYR   5           H        TYR   5   9.879  -1.833   6.611
   35    HA   TYR   5           HA       TYR   5   7.423  -3.151   5.977
   36    HB3  TYR   5           1HB      TYR   5   9.092  -4.576   4.537
   37    HD1  TYR   5           HD1      TYR   5   9.856  -0.942   4.255
   38    HD2  TYR   5           HD2      TYR   5   7.273  -4.171   3.086
   39    HE1  TYR   5           HE1      TYR   5   8.905   0.486   2.445
   40    HE2  TYR   5           HE2      TYR   5   6.317  -2.740   1.257
   41    HH   TYR   5           HH       TYR   5   7.520   0.577   0.620
   42    H    SER   6           H        SER   6   6.729  -5.193   5.927
   43    HA   SER   6           HA       SER   6   7.704  -6.851   8.194
   44    HB3  SER   6           1HB      SER   6   5.284  -7.492   8.364
   45    HG   SER   6           HG       SER   6   4.666  -5.439   9.251
   46    H    ALA   7           H        ALA   7   8.447  -8.842   7.721
   47    HA   ALA   7           HA       ALA   7   7.940 -10.200   5.213
   48    HB1  ALA   7           3HB      ALA   7   9.082 -11.205   7.866
   49    HB2  ALA   7           1HB      ALA   7   9.168 -12.046   6.305
   50    HB3  ALA   7           2HB      ALA   7  10.006 -10.500   6.524
   51    H    GLU   8           H        GLU   8   6.437 -10.322   8.417
   52    HA   GLU   8           HA       GLU   8   4.960 -12.734   8.040
   53    HB3  GLU   8           1HB      GLU   8   5.760 -12.013  10.192
   54    HG3  GLU   8           1HG      GLU   8   3.751  -9.715  10.002
   55    H    ALA   9           H        ALA   9   4.320 -10.898   5.905
   56    HA   ALA   9           HA       ALA   9   1.758  -9.686   6.240
   57    HB1  ALA   9           3HB      ALA   9   3.193 -10.681   3.735
   58    HB2  ALA   9           1HB      ALA   9   1.753  -9.647   3.741
   59    HB3  ALA   9           2HB      ALA   9   3.265  -9.031   4.429
   60    HA   PRO  10           HA       PRO  10  -1.090 -13.067   5.911
   61    HB3  PRO  10           1HB      PRO  10  -2.726 -11.490   6.288
   62    HG3  PRO  10           1HG      PRO  10  -2.699  -9.347   5.145
   63    HD3  PRO  10           1HD      PRO  10  -0.709  -9.638   6.390
   64    H    ALA  11           H        ALA  11  -2.157 -14.517   4.475
   65    HA   ALA  11           HA       ALA  11  -1.074 -14.696   1.731
   66    HB1  ALA  11           3HB      ALA  11  -3.001 -16.494   3.280
   67    HB2  ALA  11           1HB      ALA  11  -2.316 -16.838   1.680
   68    HB3  ALA  11           2HB      ALA  11  -1.244 -16.745   3.094
   69    H    ARG  12           H        ARG  12  -2.391 -14.521  -0.130
   70    HA   ARG  12           HA       ARG  12  -4.273 -12.456  -0.110
   71    HB3  ARG  12           1HB      ARG  12  -4.471 -14.288  -2.451
   72    HG3  ARG  12           1HG      ARG  12  -3.619 -12.267  -3.644
   73    HD3  ARG  12           1HD      ARG  12  -5.953 -11.666  -1.793
   74    HE   ARG  12           HE       ARG  12  -4.726  -9.953  -3.682
   75   HH11  ARG  12          1HH1      ARG  12  -7.972 -11.054  -2.826
   76   HH12  ARG  12          2HH1      ARG  12  -8.725  -9.612  -3.421
   77   HH21  ARG  12          1HH2      ARG  12  -5.752  -8.104  -4.412
   78   HH22  ARG  12          2HH2      ARG  12  -7.486  -7.980  -4.341
   79    H    ASP  13           H        ASP  13  -4.872 -15.887   0.294
   80    HA   ASP  13           HA       ASP  13  -7.717 -15.864  -0.168
   81    HB3  ASP  13           1HB      ASP  13  -5.991 -17.684   1.545
   82    H    GLU  14           H        GLU  14  -5.766 -15.421   2.829
   83    HA   GLU  14           HA       GLU  14  -8.151 -15.168   4.508
   84    HB3  GLU  14           1HB      GLU  14  -5.320 -14.369   5.239
   85    HG3  GLU  14           1HG      GLU  14  -7.118 -13.825   6.889
   86    H    LEU  15           H        LEU  15  -5.873 -13.023   2.894
   87    HA   LEU  15           HA       LEU  15  -6.885 -10.511   3.868
   88    HB3  LEU  15           1HB      LEU  15  -5.155 -11.480   1.586
   89    HG   LEU  15           HG       LEU  15  -6.050  -8.635   2.025
   90   HD11  LEU  15          1HD1      LEU  15  -3.726  -8.548   2.706
   91   HD12  LEU  15          2HD1      LEU  15  -3.865  -7.880   1.080
   92   HD13  LEU  15          3HD1      LEU  15  -3.239  -9.520   1.308
   93   HD21  LEU  15          3HD2      LEU  15  -4.963 -10.116  -0.410
   94   HD22  LEU  15          1HD2      LEU  15  -5.773  -8.549  -0.400
   95   HD23  LEU  15          2HD2      LEU  15  -6.695 -10.010  -0.045
   96    H    ASP  16           H        ASP  16  -8.362 -12.789   1.675
   97    HA   ASP  16           HA       ASP  16  -9.929 -10.792   0.218
   98    HB3  ASP  16           1HB      ASP  16 -10.498 -13.760   0.679
   99    H    ARG  17           H        ARG  17 -10.076 -12.305   3.300
  100    HA   ARG  17           HA       ARG  17 -12.985 -11.936   3.666
  101    HB3  ARG  17           1HB      ARG  17 -12.528 -13.257   5.743
  102    HG3  ARG  17           1HG      ARG  17 -11.264 -14.464   3.218
  103    HD3  ARG  17           1HD      ARG  17 -12.592 -16.466   4.077
  104    HE   ARG  17           HE       ARG  17 -10.220 -16.041   5.823
  105   HH11  ARG  17          1HH1      ARG  17 -11.369 -17.226   2.650
  106   HH12  ARG  17          2HH1      ARG  17  -9.954 -18.242   2.478
  107   HH21  ARG  17          1HH2      ARG  17  -8.550 -17.542   5.511
  108   HH22  ARG  17          2HH2      ARG  17  -8.438 -18.366   3.947
  109    H    LEU  18           H        LEU  18 -10.306 -10.021   4.256
  110    HA   LEU  18           HA       LEU  18 -11.012  -8.768   6.723
  111    HB3  LEU  18           1HB      LEU  18  -8.837  -8.644   5.532
  112    HG   LEU  18           HG       LEU  18  -9.678  -7.779   3.250
  113   HD11  LEU  18          1HD1      LEU  18  -9.759  -5.170   4.818
  114   HD12  LEU  18          2HD1      LEU  18 -11.062  -5.868   3.823
  115   HD13  LEU  18          3HD1      LEU  18  -9.607  -5.252   3.053
  116   HD21  LEU  18          3HD2      LEU  18  -7.590  -6.498   2.927
  117   HD22  LEU  18          1HD2      LEU  18  -7.290  -7.909   3.954
  118   HD23  LEU  18          2HD2      LEU  18  -7.426  -6.307   4.696
  119    H    ALA  19           H        ALA  19 -11.701  -6.391   6.898
  120    HA   ALA  19           HA       ALA  19 -13.929  -5.755   4.995
  121    HB1  ALA  19           3HB      ALA  19 -14.089  -5.756   8.034
  122    HB2  ALA  19           1HB      ALA  19 -15.374  -5.257   6.921
  123    HB3  ALA  19           2HB      ALA  19 -14.842  -6.953   6.945
  124    H    GLY  20           H        GLY  20 -11.630  -4.380   7.365
  125    HA2  GLY  20           1HA      GLY  20 -12.670  -1.698   7.075
  126    HA3  GLY  20           2HA      GLY  20 -11.164  -2.153   7.893
  127    HA   PRO  21           HA       PRO  21 -10.286  -0.069   3.692
  128    HB3  PRO  21           1HB      PRO  21 -11.223   2.006   4.098
  129    HG3  PRO  21           1HG      PRO  21 -11.536   2.810   6.312
  130    HD3  PRO  21           1HD      PRO  21 -12.557   0.677   6.300
  131    H    THR  22           H        THR  22  -8.508  -1.173   3.322
  132    HA   THR  22           HA       THR  22  -6.084  -0.866   5.079
  133    HB   THR  22           HB       THR  22  -7.091  -3.415   3.742
  134    HG1  THR  22           HG1      THR  22  -8.339  -2.869   5.505
  135   HG21  THR  22          3HG2      THR  22  -4.764  -2.896   5.664
  136   HG22  THR  22          1HG2      THR  22  -4.625  -3.377   3.958
  137   HG23  THR  22          2HG2      THR  22  -5.336  -4.491   5.127
  138    H    LEU  23           H        LEU  23  -4.502   0.069   3.935
  139    HA   LEU  23           HA       LEU  23  -4.329  -0.307   1.026
  140    HB3  LEU  23           1HB      LEU  23  -2.580   1.280   2.945
  141    HG   LEU  23           HG       LEU  23  -1.350   0.860   0.883
  142   HD11  LEU  23          1HD1      LEU  23  -2.787   0.221  -0.763
  143   HD12  LEU  23          2HD1      LEU  23  -2.547   1.886  -1.279
  144   HD13  LEU  23          3HD1      LEU  23  -4.002   1.461  -0.382
  145   HD21  LEU  23          3HD2      LEU  23  -2.549   3.619   0.860
  146   HD22  LEU  23          1HD2      LEU  23  -1.034   3.116   0.072
  147   HD23  LEU  23          2HD2      LEU  23  -1.164   3.050   1.837
  148    H    VAL  24           H        VAL  24  -3.193  -1.908   0.144
  149    HA   VAL  24           HA       VAL  24  -1.154  -3.343   1.786
  150    HB   VAL  24           HB       VAL  24  -2.500  -4.353  -0.760
  151   HG11  VAL  24          1HG1      VAL  24  -1.727  -6.557   0.011
  152   HG12  VAL  24          2HG1      VAL  24  -0.345  -5.454  -0.089
  153   HG13  VAL  24          3HG1      VAL  24  -1.054  -5.844   1.486
  154   HG21  VAL  24          3HG2      VAL  24  -4.284  -3.998   0.906
  155   HG22  VAL  24          1HG2      VAL  24  -3.987  -5.705   0.640
  156   HG23  VAL  24          2HG2      VAL  24  -3.352  -4.924   2.105
  157    H    GLU  25           H        GLU  25   0.817  -2.820   1.455
  158    HA   GLU  25           HA       GLU  25   1.726  -1.529  -1.069
  159    HB3  GLU  25           1HB      GLU  25   2.329  -1.260   1.875
  160    HG3  GLU  25           1HG      GLU  25   4.571  -1.260   0.731
  161    H    PHE  26           H        PHE  26   3.258  -2.506  -2.265
  162    HA   PHE  26           HA       PHE  26   4.745  -4.846  -1.158
  163    HB3  PHE  26           1HB      PHE  26   4.878  -5.669  -3.378
  164    HD1  PHE  26           HD2      PHE  26   3.072  -6.734  -1.623
  165    HD2  PHE  26           HD1      PHE  26   2.144  -4.037  -4.846
  166    HE1  PHE  26           HE2      PHE  26   0.669  -7.361  -1.469
  167    HE2  PHE  26           HE1      PHE  26  -0.226  -4.734  -4.748
  168    HZ   PHE  26           HZ       PHE  26  -0.984  -6.332  -2.994
  169    H    GLY  27           H        GLY  27   6.819  -4.455  -0.660
  170    HA2  GLY  27           1HA      GLY  27   8.712  -3.181  -2.387
  171    HA3  GLY  27           2HA      GLY  27   8.191  -2.036  -1.193
  172    H    THR  28           H        THR  28  10.466  -2.070  -0.564
  173    HA   THR  28           HA       THR  28  10.967  -3.912   1.668
  174    HB   THR  28           HB       THR  28  13.341  -4.249   1.000
  175    HG1  THR  28           HG1      THR  28  13.799  -3.878  -1.237
  176   HG21  THR  28          3HG2      THR  28  11.667  -6.034   0.558
  177   HG22  THR  28          1HG2      THR  28  12.998  -6.028  -0.610
  178   HG23  THR  28          2HG2      THR  28  11.422  -5.382  -1.064
  179    H    ASP  29           H        ASP  29  13.159  -3.088   2.746
  180    HA   ASP  29           HA       ASP  29  12.691  -0.226   3.284
  181    HB3  ASP  29           1HB      ASP  29  12.893  -1.782   5.153
  182    H    TRP  30           H        TRP  30  14.468  -1.883   1.010
  183    HA   TRP  30           HA       TRP  30  16.822  -0.037   1.107
  184    HB3  TRP  30           1HB      TRP  30  17.508  -2.107   1.899
  185    HD1  TRP  30           HD       TRP  30  16.186  -4.198   2.524
  186    HE1  TRP  30           HE1      TRP  30  15.358  -6.307   1.294
  187    HE3  TRP  30           HE3      TRP  30  17.135  -2.734  -2.281
  188    HZ2  TRP  30           HZ2      TRP  30  15.047  -7.179  -1.430
  189    HZ3  TRP  30           HZ3      TRP  30  16.537  -4.185  -4.171
  190    HH2  TRP  30           HH       TRP  30  15.485  -6.407  -3.783
  191    H    CYS  31           H        CYS  31  14.302  -1.151  -1.098
  192    HA   CYS  31           HA       CYS  31  15.755  -0.608  -3.523
  193    HB2  CYS  31           1HB      CYS  31  13.731  -1.925  -3.573
  194    HB3  CYS  31           2HB      CYS  31  12.780  -0.592  -2.903
  195    H    GLY  32           H        GLY  32  15.877   1.238  -4.796
  196    HA2  GLY  32           1HA      GLY  32  15.876   3.833  -3.522
  197    HA3  GLY  32           2HA      GLY  32  16.182   3.494  -5.229
  198    H    HIS  33           H        HIS  33  13.426   2.131  -5.469
  199    HA   HIS  33           HA       HIS  33  11.729   4.508  -5.855
  200    HB2  HIS  33           1HB      HIS  33  11.107   1.521  -5.737
  201    HB3  HIS  33           2HB      HIS  33   9.933   2.785  -6.049
  202    HD1  HIS  33           HD1      HIS  33  11.390   0.322  -7.995
  203    HD2  HIS  33           HD2      HIS  33  10.948   4.479  -8.288
  204    HE1  HIS  33           HE1      HIS  33  11.102   0.829 -10.478
  205    H    CYS  34           H        CYS  34  11.986   1.882  -3.425
  206    HA   CYS  34           HA       CYS  34   9.884   2.775  -1.693
  207    HB3  CYS  34           1HB      CYS  34  11.426   1.483   0.012
  208    HG   CYS  34           HG       CYS  34  10.229   0.195  -2.855
  209    H    GLN  35           H        GLN  35  13.332   3.770  -1.811
  210    HA   GLN  35           HA       GLN  35  13.219   5.174   0.671
  211    HB3  GLN  35           1HB      GLN  35  15.171   6.474  -0.135
  212    HG3  GLN  35           1HG      GLN  35  16.741   4.799  -0.588
  213   HE21  GLN  35          2HE2      GLN  35  14.812   2.090  -0.221
  214   HE22  GLN  35          1HE2      GLN  35  15.053   1.908   1.529
  215    H    ALA  36           H        ALA  36  11.951   5.998  -2.407
  216    HA   ALA  36           HA       ALA  36  11.443   8.843  -1.741
  217    HB1  ALA  36           3HB      ALA  36  12.285   8.231  -3.993
  218    HB2  ALA  36           1HB      ALA  36  10.846   7.220  -4.261
  219    HB3  ALA  36           2HB      ALA  36  10.671   8.977  -4.068
  220    H    ALA  37           H        ALA  37   9.638   5.792  -2.253
  221    HA   ALA  37           HA       ALA  37   7.042   7.096  -1.988
  222    HB1  ALA  37           3HB      ALA  37   7.421   5.184  -3.489
  223    HB2  ALA  37           1HB      ALA  37   7.767   4.145  -2.082
  224    HB3  ALA  37           2HB      ALA  37   6.146   4.865  -2.288
  225    H    GLN  38           H        GLN  38   9.198   5.349   0.241
  226    HA   GLN  38           HA       GLN  38   7.302   4.821   2.296
  227    HB3  GLN  38           1HB      GLN  38   9.421   5.089   3.794
  228    HG3  GLN  38           1HG      GLN  38   9.307   3.064   1.511
  229   HE21  GLN  38          2HE2      GLN  38  11.764   3.540   1.577
  230   HE22  GLN  38          1HE2      GLN  38  12.705   2.596   2.744
  231    HA   PRO  39           HA       PRO  39   8.063   9.062   4.311
  232    HB3  PRO  39           1HB      PRO  39  10.169   9.942   3.924
  233    HG3  PRO  39           1HG      PRO  39  11.228   9.714   1.802
  234    HD3  PRO  39           1HD      PRO  39  10.662   7.539   2.554
  235    H    LEU  40           H        LEU  40   7.170   8.598   0.963
  236    HA   LEU  40           HA       LEU  40   5.432  10.911   0.693
  237    HB3  LEU  40           1HB      LEU  40   4.754   8.420  -0.824
  238    HG   LEU  40           HG       LEU  40   4.744   9.649  -2.723
  239   HD11  LEU  40          1HD1      LEU  40   3.041  10.485  -0.952
  240   HD12  LEU  40          2HD1      LEU  40   3.322  11.441  -2.398
  241   HD13  LEU  40          3HD1      LEU  40   4.059  11.940  -0.861
  242   HD21  LEU  40          3HD2      LEU  40   5.851  11.826  -3.066
  243   HD22  LEU  40          1HD2      LEU  40   6.997  10.551  -2.624
  244   HD23  LEU  40          2HD2      LEU  40   6.502  11.761  -1.411
  245    H    LEU  41           H        LEU  41   4.872   7.420   1.251
  246    HA   LEU  41           HA       LEU  41   2.102   7.619   1.824
  247    HB3  LEU  41           1HB      LEU  41   2.683   5.425   3.222
  248    HG   LEU  41           HG       LEU  41   2.456   3.990   1.406
  249   HD11  LEU  41          1HD1      LEU  41   0.483   5.408   1.823
  250   HD12  LEU  41          2HD1      LEU  41   0.572   4.784   0.169
  251   HD13  LEU  41          3HD1      LEU  41   0.981   6.469   0.494
  252   HD21  LEU  41          3HD2      LEU  41   4.276   4.622   0.031
  253   HD22  LEU  41          1HD2      LEU  41   3.561   6.190  -0.347
  254   HD23  LEU  41          2HD2      LEU  41   2.813   4.695  -0.961
  255    H    ALA  42           H        ALA  42   4.926   7.748   3.947
  256    HA   ALA  42           HA       ALA  42   3.589   7.936   6.445
  257    HB1  ALA  42           3HB      ALA  42   6.008   7.559   6.183
  258    HB2  ALA  42           1HB      ALA  42   6.195   9.225   5.577
  259    HB3  ALA  42           2HB      ALA  42   5.670   8.941   7.249
  260    H    GLU  43           H        GLU  43   4.300  10.527   4.099
  261    HA   GLU  43           HA       GLU  43   3.330  12.662   5.815
  262    HB3  GLU  43           1HB      GLU  43   3.276  13.944   3.583
  263    HG3  GLU  43           1HG      GLU  43   5.829  13.803   3.344
  264    H    VAL  44           H        VAL  44   1.838  10.901   3.014
  265    HA   VAL  44           HA       VAL  44  -0.660  12.306   3.256
  266    HB   VAL  44           HB       VAL  44  -0.274  11.320   1.207
  267   HG11  VAL  44          1HG1      VAL  44  -0.188   8.541   2.392
  268   HG12  VAL  44          2HG1      VAL  44  -0.138   9.019   0.674
  269   HG13  VAL  44          3HG1      VAL  44   1.170   9.483   1.732
  270   HG21  VAL  44          3HG2      VAL  44  -2.400   9.570   2.492
  271   HG22  VAL  44          1HG2      VAL  44  -2.646  11.261   2.014
  272   HG23  VAL  44          2HG2      VAL  44  -2.263  10.045   0.779
  273    H    PHE  45           H        PHE  45   0.264   9.077   4.564
  274    HA   PHE  45           HA       PHE  45  -2.209   8.436   5.770
  275    HB3  PHE  45           1HB      PHE  45  -0.410   7.302   7.519
  276    HD1  PHE  45           HD1      PHE  45  -2.727   6.161   7.142
  277    HD2  PHE  45           HD2      PHE  45   0.635   5.808   4.449
  278    HE1  PHE  45           HE1      PHE  45  -3.553   3.975   6.348
  279    HE2  PHE  45           HE2      PHE  45  -0.181   3.614   3.721
  280    HZ   PHE  45           HZ       PHE  45  -2.326   2.710   4.620
  281    H    SER  46           H        SER  46   0.168  10.749   6.951
  282    HA   SER  46           HA       SER  46  -0.653  10.825   9.695
  283    HB3  SER  46           1HB      SER  46   0.343  13.127   9.646
  284    HG   SER  46           HG       SER  46   2.011  11.198   8.347
  285    H    ASP  47           H        ASP  47  -2.308  12.005   6.824
  286    HA   ASP  47           HA       ASP  47  -4.210  13.586   8.498
  287    HB3  ASP  47           1HB      ASP  47  -4.080  13.377   5.467
  288    H    TYR  48           H        TYR  48  -3.866  10.455   7.324
  289    HA   TYR  48           HA       TYR  48  -6.810   9.939   7.501
  290    HB3  TYR  48           1HB      TYR  48  -6.725   8.381   5.675
  291    HD1  TYR  48           HD2      TYR  48  -8.263  10.394   5.166
  292    HD2  TYR  48           HD1      TYR  48  -4.069  10.317   4.193
  293    HE1  TYR  48           HE2      TYR  48  -8.593  12.295   3.608
  294    HE2  TYR  48           HE1      TYR  48  -4.361  12.351   2.796
  295    HH   TYR  48           HH       TYR  48  -5.834  13.885   1.938
  296    HA   PRO  49           HA       PRO  49  -4.034   7.125  10.173
  297    HB3  PRO  49           1HB      PRO  49  -3.649   8.662  11.838
  298    HG3  PRO  49           1HG      PRO  49  -5.211  10.404  12.307
  299    HD3  PRO  49           1HD      PRO  49  -4.650  10.528  10.017
  300    H    GLU  50           H        GLU  50  -7.519   7.552   9.855
  301    HA   GLU  50           HA       GLU  50  -8.221   5.094  11.227
  302    HB3  GLU  50           1HB      GLU  50  -9.844   6.866  11.062
  303    HG3  GLU  50           1HG      GLU  50 -11.130   6.804   8.809
  304    H    VAL  51           H        VAL  51  -6.710   5.666   8.185
  305    HA   VAL  51           HA       VAL  51  -7.673   3.149   6.954
  306    HB   VAL  51           HB       VAL  51  -5.501   5.064   6.030
  307   HG11  VAL  51          1HG1      VAL  51  -6.888   2.761   4.562
  308   HG12  VAL  51          2HG1      VAL  51  -5.776   3.937   3.819
  309   HG13  VAL  51          3HG1      VAL  51  -5.171   2.831   5.037
  310   HG21  VAL  51          3HG2      VAL  51  -8.405   4.790   5.124
  311   HG22  VAL  51          1HG2      VAL  51  -7.676   6.175   5.973
  312   HG23  VAL  51          2HG2      VAL  51  -7.169   5.787   4.333
  313    H    GLY  52           H        GLY  52  -6.503   1.256   6.950
  314    HA2  GLY  52           1HA      GLY  52  -4.151   0.998   8.776
  315    HA3  GLY  52           2HA      GLY  52  -5.095  -0.322   8.044
  316    H    HIS  53           H        HIS  53  -2.170  -0.017   8.072
  317    HA   HIS  53           HA       HIS  53  -1.729  -0.082   5.113
  318    HB2  HIS  53           1HB      HIS  53  -0.735   1.945   6.461
  319    HB3  HIS  53           2HB      HIS  53   0.395   0.776   7.104
  320    HD1  HIS  53           HD1      HIS  53   2.280   2.315   5.836
  321    HD2  HIS  53           HD2      HIS  53  -0.499   0.376   3.350
  322    HE1  HIS  53           HE1      HIS  53   3.170   2.488   3.436
  323    H    LEU  54           H        LEU  54  -0.805  -1.927   4.377
  324    HA   LEU  54           HA       LEU  54   0.713  -3.632   6.303
  325    HB3  LEU  54           1HB      LEU  54  -0.658  -4.733   3.824
  326    HG   LEU  54           HG       LEU  54  -0.735  -6.800   4.929
  327   HD11  LEU  54          1HD1      LEU  54   1.512  -7.419   5.559
  328   HD12  LEU  54          2HD1      LEU  54   1.948  -5.741   5.942
  329   HD13  LEU  54          3HD1      LEU  54   1.616  -6.213   4.260
  330   HD21  LEU  54          3HD2      LEU  54  -0.291  -7.172   7.311
  331   HD22  LEU  54          1HD2      LEU  54  -1.605  -6.008   7.090
  332   HD23  LEU  54          2HD2      LEU  54   0.011  -5.439   7.552
  333    H    LYS  55           H        LYS  55   2.701  -2.880   5.949
  334    HA   LYS  55           HA       LYS  55   3.885  -2.521   3.285
  335    HB3  LYS  55           1HB      LYS  55   5.978  -2.457   4.840
  336    HG3  LYS  55           1HG      LYS  55   3.889  -0.347   4.741
  337    HD3  LYS  55           1HD      LYS  55   5.633   1.244   5.416
  338    HE3  LYS  55           1HE      LYS  55   5.400  -0.795   7.674
  339    HZ1  LYS  55           3HZ      LYS  55   5.294   1.232   9.013
  340    HZ2  LYS  55           1HZ      LYS  55   5.270   2.184   7.685
  341    HZ3  LYS  55           2HZ      LYS  55   6.618   1.340   8.055
  342    H    VAL  56           H        VAL  56   3.582  -4.506   2.237
  343    HA   VAL  56           HA       VAL  56   4.571  -7.045   3.383
  344    HB   VAL  56           HB       VAL  56   3.906  -6.402   0.464
  345   HG11  VAL  56          1HG1      VAL  56   4.171  -9.040   1.963
  346   HG12  VAL  56          2HG1      VAL  56   3.567  -8.875   0.304
  347   HG13  VAL  56          3HG1      VAL  56   5.231  -8.430   0.672
  348   HG21  VAL  56          3HG2      VAL  56   1.722  -7.352   0.775
  349   HG22  VAL  56          1HG2      VAL  56   2.027  -7.644   2.505
  350   HG23  VAL  56          2HG2      VAL  56   1.883  -5.988   1.868
  351    H    GLU  57           H        GLU  57   6.553  -7.513   3.610
  352    HA   GLU  57           HA       GLU  57   8.663  -6.309   2.023
  353    HB3  GLU  57           1HB      GLU  57   8.959  -8.866   3.622
  354    HG3  GLU  57           1HG      GLU  57  10.638  -6.379   3.206
  355    H    ASP  58           H        ASP  58   8.519  -6.613  -0.061
  356    HA   ASP  58           HA       ASP  58   7.683  -9.191  -1.250
  357    HB3  ASP  58           1HB      ASP  58   7.903  -6.549  -2.701
  358    H    GLY  59           H        GLY  59   8.788  -9.023  -3.802
  359    HA2  GLY  59           1HA      GLY  59  11.745  -9.029  -3.460
  360    HA3  GLY  59           2HA      GLY  59  10.975 -10.568  -3.814
  361    HA   PRO  60           HA       PRO  60  12.051  -8.021  -7.669
  362    HB3  PRO  60           1HB      PRO  60  14.335  -8.287  -7.520
  363    HG3  PRO  60           1HG      PRO  60  15.291 -10.168  -6.401
  364    HD3  PRO  60           1HD      PRO  60  13.777  -9.159  -4.887
  365    H    GLY  61           H        GLY  61  11.585 -11.554  -7.294
  366    HA2  GLY  61           1HA      GLY  61  10.384 -11.862  -9.977
  367    HA3  GLY  61           2HA      GLY  61  10.519 -13.092  -8.702
  368    H    ARG  62           H        ARG  62   9.297 -10.373  -7.313
  369    HA   ARG  62           HA       ARG  62   7.393  -9.605  -6.503
  370    HB3  ARG  62           1HB      ARG  62   5.273  -9.785  -7.634
  371    HG3  ARG  62           1HG      ARG  62   7.487  -9.362  -9.678
  372    HD3  ARG  62           1HD      ARG  62   4.730  -8.114  -9.345
  373    HE   ARG  62           HE       ARG  62   5.779  -6.443 -10.556
  374   HH11  ARG  62          1HH1      ARG  62   6.780  -9.536 -12.007
  375   HH12  ARG  62          2HH1      ARG  62   7.512  -8.732 -13.360
  376   HH21  ARG  62          1HH2      ARG  62   6.709  -5.533 -12.259
  377   HH22  ARG  62          2HH2      ARG  62   7.460  -6.471 -13.528
  378    H    ARG  63           H        ARG  63   6.522 -10.135  -4.673
  379    HA   ARG  63           HA       ARG  63   5.918 -12.972  -3.981
  380    HB3  ARG  63           1HB      ARG  63   6.129 -10.580  -2.128
  381    HG3  ARG  63           1HG      ARG  63   6.487 -13.552  -1.553
  382    HD3  ARG  63           1HD      ARG  63   6.282 -11.043   0.164
  383    HE   ARG  63           HE       ARG  63   5.869 -13.834   0.888
  384   HH11  ARG  63          1HH1      ARG  63   7.029 -10.724   2.167
  385   HH12  ARG  63          2HH1      ARG  63   6.524 -11.158   3.797
  386   HH21  ARG  63          1HH2      ARG  63   5.340 -14.280   3.072
  387   HH22  ARG  63          2HH2      ARG  63   5.683 -13.075   4.287
  388    H    LEU  64           H        LEU  64   4.142 -10.632  -2.112
  389    HA   LEU  64           HA       LEU  64   1.625 -11.751  -2.974
  390    HB3  LEU  64           1HB      LEU  64   2.060  -9.236  -1.343
  391    HG   LEU  64           HG       LEU  64  -0.305  -9.713  -1.860
  392   HD11  LEU  64          1HD1      LEU  64  -1.391 -11.779  -0.875
  393   HD12  LEU  64          2HD1      LEU  64   0.238 -12.438  -0.586
  394   HD13  LEU  64          3HD1      LEU  64  -0.340 -12.135  -2.241
  395   HD21  LEU  64          3HD2      LEU  64   0.523 -10.299   1.010
  396   HD22  LEU  64          1HD2      LEU  64  -1.127  -9.931   0.500
  397   HD23  LEU  64          2HD2      LEU  64   0.128  -8.724   0.293
  398    H    GLY  65           H        GLY  65   3.386  -8.798  -3.981
  399    HA2  GLY  65           1HA      GLY  65   1.343  -7.622  -5.555
  400    HA3  GLY  65           2HA      GLY  65   3.082  -7.504  -5.878
  401    H    ARG  66           H        ARG  66   3.131 -10.561  -6.227
  402    HA   ARG  66           HA       ARG  66   2.568 -10.763  -9.056
  403    HB3  ARG  66           1HB      ARG  66   2.894 -13.047  -7.067
  404    HG3  ARG  66           1HG      ARG  66   3.665 -12.744 -10.000
  405    HD3  ARG  66           1HD      ARG  66   4.117 -15.033  -8.040
  406    HE   ARG  66           HE       ARG  66   3.799 -15.919 -10.273
  407   HH11  ARG  66          1HH1      ARG  66   6.795 -13.999  -9.994
  408   HH12  ARG  66          2HH1      ARG  66   7.488 -14.771 -11.382
  409   HH21  ARG  66          1HH2      ARG  66   4.775 -16.841 -12.036
  410   HH22  ARG  66          2HH2      ARG  66   6.367 -16.341 -12.522
  411    H    SER  67           H        SER  67   0.867 -11.909  -6.096
  412    HA   SER  67           HA       SER  67  -1.285 -13.211  -7.499
  413    HB3  SER  67           1HB      SER  67  -2.260 -13.475  -5.300
  414    HG   SER  67           HG       SER  67  -0.408 -14.771  -5.537
  415    H    PHE  68           H        PHE  68  -0.735  -9.932  -6.320
  416    HA   PHE  68           HA       PHE  68  -3.426  -8.943  -6.816
  417    HB3  PHE  68           1HB      PHE  68  -2.026  -6.721  -6.569
  418    HD1  PHE  68           HD2      PHE  68  -1.489  -9.360  -3.970
  419    HD2  PHE  68           HD1      PHE  68  -3.871  -6.065  -5.327
  420    HE1  PHE  68           HE2      PHE  68  -2.452  -9.184  -1.718
  421    HE2  PHE  68           HE1      PHE  68  -4.888  -5.870  -3.051
  422    HZ   PHE  68           HZ       PHE  68  -4.137  -7.388  -1.232
  423    H    GLN  69           H        GLN  69  -0.944  -9.842  -8.901
  424    HA   GLN  69           HA       GLN  69  -0.542  -9.620 -11.114
  425    HB3  GLN  69           1HB      GLN  69  -2.279  -8.995 -12.622
  426    HG3  GLN  69           1HG      GLN  69  -2.777 -11.000 -10.699
  427   HE21  GLN  69          2HE2      GLN  69  -4.044 -10.548  -8.771
  428   HE22  GLN  69          1HE2      GLN  69  -5.682  -9.950  -8.868
  429    H    VAL  70           H        VAL  70   0.595  -7.689  -9.354
  430    HA   VAL  70           HA       VAL  70   0.259  -4.997 -10.319
  431    HB   VAL  70           HB       VAL  70   2.371  -6.331  -8.606
  432   HG11  VAL  70          1HG1      VAL  70   3.500  -4.423  -9.628
  433   HG12  VAL  70          2HG1      VAL  70   2.129  -3.357  -9.241
  434   HG13  VAL  70          3HG1      VAL  70   3.128  -4.063  -7.945
  435   HG21  VAL  70          3HG2      VAL  70   0.079  -6.103  -7.634
  436   HG22  VAL  70          1HG2      VAL  70   1.264  -5.123  -6.793
  437   HG23  VAL  70          2HG2      VAL  70   0.139  -4.350  -7.916
  438    H    LYS  71           H        LYS  71   1.060  -4.012 -12.016
  439    HA   LYS  71           HA       LYS  71   2.652  -5.400 -14.017
  440    HB3  LYS  71           1HB      LYS  71   2.511  -2.824 -14.905
  441    HG3  LYS  71           1HG      LYS  71   1.549  -4.710 -16.071
  442    HD3  LYS  71           1HD      LYS  71   0.235  -5.821 -14.315
  443    HE3  LYS  71           1HE      LYS  71  -0.724  -3.685 -13.321
  444    HZ1  LYS  71           3HZ      LYS  71  -2.626  -3.967 -15.584
  445    HZ2  LYS  71           1HZ      LYS  71  -1.625  -2.679 -15.344
  446    HZ3  LYS  71           2HZ      LYS  71  -2.858  -2.981 -14.306
  447    H    LEU  72           H        LEU  72   3.326  -2.639 -11.882
  448    HA   LEU  72           HA       LEU  72   6.175  -2.551 -12.737
  449    HB3  LEU  72           1HB      LEU  72   4.709  -0.751 -10.760
  450    HG   LEU  72           HG       LEU  72   7.291  -0.554 -11.030
  451   HD11  LEU  72          1HD1      LEU  72   7.452  -0.932 -13.465
  452   HD12  LEU  72          2HD1      LEU  72   8.075   0.670 -13.026
  453   HD13  LEU  72          3HD1      LEU  72   6.462   0.521 -13.756
  454   HD21  LEU  72          3HD2      LEU  72   5.624   1.863 -11.833
  455   HD22  LEU  72          1HD2      LEU  72   7.212   1.878 -11.020
  456   HD23  LEU  72          2HD2      LEU  72   5.783   1.260 -10.169
  457    H    TRP  73           H        TRP  73   6.404  -1.530  -9.696
  458    HA   TRP  73           HA       TRP  73   5.922  -3.990  -8.203
  459    HB3  TRP  73           1HB      TRP  73   8.712  -2.842  -8.319
  460    HD1  TRP  73           HD       TRP  73   7.168  -6.274  -7.342
  461    HE1  TRP  73           HE1      TRP  73   8.172  -7.029  -5.120
  462    HE3  TRP  73           HE3      TRP  73   9.891  -2.104  -6.319
  463    HZ2  TRP  73           HZ2      TRP  73  10.167  -6.004  -3.233
  464    HZ3  TRP  73           HZ3      TRP  73  11.308  -1.988  -4.273
  465    HH2  TRP  73           HH       TRP  73  11.489  -3.931  -2.761
  466    HA   PRO  74           HA       PRO  74   6.533  -0.462  -5.112
  467    HB3  PRO  74           1HB      PRO  74   8.319   0.949  -5.584
  468    HG3  PRO  74           1HG      PRO  74   8.738   1.662  -7.855
  469    HD3  PRO  74           1HD      PRO  74   8.810  -0.695  -7.728
  470    H    THR  75           H        THR  75   4.366  -0.846  -4.971
  471    HA   THR  75           HA       THR  75   2.327   0.880  -6.221
  472    HB   THR  75           HB       THR  75   2.706  -2.084  -6.878
  473    HG1  THR  75           HG1      THR  75   3.550   0.005  -8.060
  474   HG21  THR  75          3HG2      THR  75   0.615  -1.840  -8.248
  475   HG22  THR  75          1HG2      THR  75   0.306  -0.302  -7.420
  476   HG23  THR  75          2HG2      THR  75   0.332  -1.832  -6.509
  477    H    PHE  76           H        PHE  76   0.593   0.956  -5.000
  478    HA   PHE  76           HA       PHE  76   0.248  -1.030  -2.830
  479    HB3  PHE  76           1HB      PHE  76   1.140   0.580  -1.477
  480    HD1  PHE  76           HD1      PHE  76   2.868   1.705  -2.900
  481    HD2  PHE  76           HD2      PHE  76  -1.138   3.210  -2.416
  482    HE1  PHE  76           HE1      PHE  76   3.617   3.895  -3.746
  483    HE2  PHE  76           HE2      PHE  76  -0.381   5.410  -3.216
  484    HZ   PHE  76           HZ       PHE  76   1.957   5.746  -3.971
  485    H    VAL  77           H        VAL  77  -1.638  -1.783  -2.651
  486    HA   VAL  77           HA       VAL  77  -3.825  -0.797  -4.410
  487    HB   VAL  77           HB       VAL  77  -3.397  -3.563  -3.235
  488   HG11  VAL  77          1HG1      VAL  77  -5.140  -4.289  -4.800
  489   HG12  VAL  77          2HG1      VAL  77  -5.778  -2.977  -3.817
  490   HG13  VAL  77          3HG1      VAL  77  -5.277  -2.668  -5.473
  491   HG21  VAL  77          3HG2      VAL  77  -2.819  -2.530  -6.052
  492   HG22  VAL  77          1HG2      VAL  77  -1.608  -2.998  -4.864
  493   HG23  VAL  77          2HG2      VAL  77  -2.688  -4.221  -5.545
  494    H    PHE  78           H        PHE  78  -5.597  -0.010  -3.576
  495    HA   PHE  78           HA       PHE  78  -5.922   0.085  -0.622
  496    HB3  PHE  78           1HB      PHE  78  -7.721   1.730  -1.133
  497    HD1  PHE  78           HD2      PHE  78  -5.008   2.159  -3.684
  498    HD2  PHE  78           HD1      PHE  78  -6.495   3.375   0.168
  499    HE1  PHE  78           HE2      PHE  78  -3.201   3.842  -3.514
  500    HE2  PHE  78           HE1      PHE  78  -4.740   5.129   0.281
  501    HZ   PHE  78           HZ       PHE  78  -3.111   5.365  -1.600
  502    H    LEU  79           H        LEU  79  -7.034  -1.511   0.299
  503    HA   LEU  79           HA       LEU  79  -9.258  -2.863  -1.150
  504    HB3  LEU  79           1HB      LEU  79  -8.844  -4.418   1.004
  505    HG   LEU  79           HG       LEU  79  -8.924  -5.162  -1.310
  506   HD11  LEU  79          1HD1      LEU  79  -7.246  -3.665  -2.316
  507   HD12  LEU  79          2HD1      LEU  79  -6.950  -5.356  -2.681
  508   HD13  LEU  79          3HD1      LEU  79  -5.964  -4.516  -1.439
  509   HD21  LEU  79          3HD2      LEU  79  -7.491  -7.127  -1.011
  510   HD22  LEU  79          1HD2      LEU  79  -8.330  -6.709   0.487
  511   HD23  LEU  79          2HD2      LEU  79  -6.606  -6.288   0.290
  512    H    ARG  80           H        ARG  80 -11.203  -3.168  -0.059
  513    HA   ARG  80           HA       ARG  80 -11.784  -2.299   2.641
  514    HB3  ARG  80           1HB      ARG  80 -13.092  -0.673   0.429
  515    HG3  ARG  80           1HG      ARG  80 -12.807  -0.171   3.419
  516    HD3  ARG  80           1HD      ARG  80 -12.818   1.861   1.954
  517    HE   ARG  80           HE       ARG  80 -15.421   0.701   1.083
  518   HH11  ARG  80          1HH1      ARG  80 -13.278   3.558   0.811
  519   HH12  ARG  80          2HH1      ARG  80 -14.174   4.141  -0.555
  520   HH21  ARG  80          1HH2      ARG  80 -16.457   1.546  -0.661
  521   HH22  ARG  80          2HH2      ARG  80 -15.946   3.047  -1.359
  522    H    ASP  81           H        ASP  81 -13.642  -3.305   3.308
  523    HA   ASP  81           HA       ASP  81 -15.268  -4.860   3.371
  524    HB3  ASP  81           1HB      ASP  81 -16.062  -4.064   0.559
  525    H    GLY  82           H        GLY  82 -12.613  -5.604   2.333
  526    HA2  GLY  82           1HA      GLY  82 -11.553  -7.583   1.799
  527    HA3  GLY  82           2HA      GLY  82 -13.124  -8.314   1.399
  528    H    ARG  83           H        ARG  83 -13.213  -5.634  -0.471
  529    HA   ARG  83           HA       ARG  83 -12.082  -7.021  -2.827
  530    HB3  ARG  83           1HB      ARG  83 -13.920  -4.633  -2.932
  531    HG3  ARG  83           1HG      ARG  83 -14.090  -7.193  -4.544
  532    HD3  ARG  83           1HD      ARG  83 -15.838  -5.325  -4.706
  533    HE   ARG  83           HE       ARG  83 -13.427  -3.824  -5.450
  534   HH11  ARG  83          1HH1      ARG  83 -16.923  -3.839  -6.066
  535   HH12  ARG  83          2HH1      ARG  83 -16.914  -2.161  -6.498
  536   HH21  ARG  83          1HH2      ARG  83 -13.469  -1.777  -5.992
  537   HH22  ARG  83          2HH2      ARG  83 -14.943  -0.980  -6.481
  538    H    GLU  84           H        GLU  84 -10.842  -5.794  -4.295
  539    HA   GLU  84           HA       GLU  84  -9.270  -3.515  -3.324
  540    HB3  GLU  84           1HB      GLU  84  -9.531  -4.871  -6.018
  541    HG3  GLU  84           1HG      GLU  84  -7.837  -2.441  -5.320
  542    H    VAL  85           H        VAL  85  -9.903  -1.480  -3.303
  543    HA   VAL  85           HA       VAL  85 -12.323  -0.602  -4.855
  544    HB   VAL  85           HB       VAL  85 -12.263   1.418  -3.385
  545   HG11  VAL  85          1HG1      VAL  85 -12.627  -1.242  -1.954
  546   HG12  VAL  85          2HG1      VAL  85 -13.401   0.311  -1.562
  547   HG13  VAL  85          3HG1      VAL  85 -13.803  -0.506  -3.073
  548   HG21  VAL  85          3HG2      VAL  85 -11.064   1.408  -1.287
  549   HG22  VAL  85          1HG2      VAL  85 -10.422  -0.200  -1.565
  550   HG23  VAL  85          2HG2      VAL  85  -9.856   1.152  -2.567
  551    H    ALA  86           H        ALA  86  -8.879  -0.174  -4.619
  552    HA   ALA  86           HA       ALA  86  -8.669   1.140  -7.158
  553    HB1  ALA  86           3HB      ALA  86  -7.713   3.296  -6.308
  554    HB2  ALA  86           1HB      ALA  86  -9.395   3.130  -5.819
  555    HB3  ALA  86           2HB      ALA  86  -8.084   2.792  -4.655
  556    H    ARG  87           H        ARG  87  -6.276   1.971  -7.384
  557    HA   ARG  87           HA       ARG  87  -4.423   1.163  -5.361
  558    HB3  ARG  87           1HB      ARG  87  -4.575  -0.965  -6.508
  559    HG3  ARG  87           1HG      ARG  87  -3.543   0.527  -8.950
  560    HD3  ARG  87           1HD      ARG  87  -2.411  -1.616  -8.269
  561    HE   ARG  87           HE       ARG  87  -5.110  -2.659  -8.317
  562   HH11  ARG  87          1HH1      ARG  87  -1.879  -3.665  -9.446
  563   HH12  ARG  87          2HH1      ARG  87  -2.303  -5.357  -9.302
  564   HH21  ARG  87          1HH2      ARG  87  -5.498  -4.846  -8.101
  565   HH22  ARG  87          2HH2      ARG  87  -4.252  -6.003  -8.582
  566    H    VAL  88           H        VAL  88  -2.359   2.079  -5.641
  567    HA   VAL  88           HA       VAL  88  -2.147   4.177  -7.811
  568    HB   VAL  88           HB       VAL  88  -1.316   4.269  -4.932
  569   HG11  VAL  88          1HG1      VAL  88  -0.644   6.281  -7.140
  570   HG12  VAL  88          2HG1      VAL  88  -0.363   6.573  -5.414
  571   HG13  VAL  88          3HG1      VAL  88   0.526   5.302  -6.235
  572   HG21  VAL  88          3HG2      VAL  88  -3.686   4.931  -5.386
  573   HG22  VAL  88          1HG2      VAL  88  -2.706   6.168  -4.598
  574   HG23  VAL  88          2HG2      VAL  88  -3.055   6.285  -6.347
  575    H    VAL  89           H        VAL  89  -0.418   3.993  -9.057
  576    HA   VAL  89           HA       VAL  89   1.784   2.070  -8.356
  577    HB   VAL  89           HB       VAL  89   0.678   2.909 -11.076
  578   HG11  VAL  89          1HG1      VAL  89   2.249   1.167 -12.007
  579   HG12  VAL  89          2HG1      VAL  89   3.065   2.578 -11.339
  580   HG13  VAL  89          3HG1      VAL  89   3.020   1.073 -10.403
  581   HG21  VAL  89          3HG2      VAL  89  -0.768   1.256  -9.900
  582   HG22  VAL  89          1HG2      VAL  89   0.005   0.583 -11.341
  583   HG23  VAL  89          2HG2      VAL  89   0.628   0.181  -9.740
  584    H    ARG  90           H        ARG  90   3.757   2.908  -8.178
  585    HA   ARG  90           HA       ARG  90   5.485   4.313  -8.065
  586    HB3  ARG  90           1HB      ARG  90   4.889   5.328 -10.847
  587    HG3  ARG  90           1HG      ARG  90   7.318   4.111  -9.455
  588    HD3  ARG  90           1HD      ARG  90   7.239   5.760 -12.007
  589    HE   ARG  90           HE       ARG  90   9.351   3.995 -10.761
  590   HH11  ARG  90          1HH1      ARG  90   8.666   6.727 -12.941
  591   HH12  ARG  90          2HH1      ARG  90  10.360   7.052 -13.160
  592   HH21  ARG  90          1HH2      ARG  90  11.414   4.458 -11.083
  593   HH22  ARG  90          2HH2      ARG  90  11.917   5.784 -12.113
  594    HA   PRO  91           HA       PRO  91   2.794   8.007  -6.882
  595    HB3  PRO  91           1HB      PRO  91   2.828   7.566  -4.690
  596    HG3  PRO  91           1HG      PRO  91   4.509   6.156  -3.759
  597    HD3  PRO  91           1HD      PRO  91   3.811   4.981  -5.724
  598    H    GLY  92           H        GLY  92   3.112   9.916  -7.874
  599    HA2  GLY  92           1HA      GLY  92   5.796  10.846  -8.626
  600    HA3  GLY  92           2HA      GLY  92   4.236  11.547  -9.115
  601    H    SER  93           H        SER  93   3.268  11.821  -6.332
  602    HA   SER  93           HA       SER  93   4.942  13.661  -4.867
  603    HB3  SER  93           1HB      SER  93   4.437  15.096  -6.811
  604    HG   SER  93           HG       SER  93   1.986  15.629  -6.809
  605    H    ALA  94           H        ALA  94   3.752  14.529  -2.966
  606    HA   ALA  94           HA       ALA  94   1.709  12.856  -1.898
  607    HB1  ALA  94           3HB      ALA  94   3.251  14.275  -0.543
  608    HB2  ALA  94           1HB      ALA  94   2.422  15.730  -1.160
  609    HB3  ALA  94           2HB      ALA  94   1.550  14.561  -0.158
  610    H    SER  95           H        SER  95   1.428  15.780  -3.936
  611    HA   SER  95           HA       SER  95  -1.404  16.070  -3.609
  612    HB3  SER  95           1HB      SER  95  -0.199  17.890  -4.479
  613    HG   SER  95           HG       SER  95   0.901  17.779  -6.498
  614    H    VAL  96           H        VAL  96   0.383  13.681  -5.471
  615    HA   VAL  96           HA       VAL  96  -2.090  12.762  -6.858
  616    HB   VAL  96           HB       VAL  96   0.792  11.799  -6.922
  617   HG11  VAL  96          1HG1      VAL  96  -1.607  10.608  -8.373
  618   HG12  VAL  96          2HG1      VAL  96   0.099  10.241  -8.733
  619   HG13  VAL  96          3HG1      VAL  96  -0.582   9.800  -7.170
  620   HG21  VAL  96          3HG2      VAL  96  -0.996  13.000  -9.102
  621   HG22  VAL  96          1HG2      VAL  96   0.266  13.892  -8.240
  622   HG23  VAL  96          2HG2      VAL  96   0.700  12.535  -9.289
  623    H    LEU  97           H        LEU  97   0.139  11.679  -4.237
  624    HA   LEU  97           HA       LEU  97  -1.294   9.216  -3.813
  625    HB3  LEU  97           1HB      LEU  97   0.168  10.213  -1.469
  626    HG   LEU  97           HG       LEU  97   0.780   7.992  -3.520
  627   HD11  LEU  97          1HD1      LEU  97   2.160   6.996  -1.788
  628   HD12  LEU  97          2HD1      LEU  97   1.910   8.396  -0.728
  629   HD13  LEU  97          3HD1      LEU  97   2.766   8.567  -2.286
  630   HD21  LEU  97          3HD2      LEU  97  -0.134   6.603  -1.464
  631   HD22  LEU  97          1HD2      LEU  97  -1.291   7.375  -2.574
  632   HD23  LEU  97          2HD2      LEU  97  -0.914   8.110  -1.027
  633    H    GLU  98           H        GLU  98  -1.389  12.295  -1.950
  634    HA   GLU  98           HA       GLU  98  -3.461  11.627  -0.160
  635    HB3  GLU  98           1HB      GLU  98  -3.896  14.079  -0.073
  636    HG3  GLU  98           1HG      GLU  98  -0.907  13.450  -0.025
  637    H    GLU  99           H        GLU  99  -3.703  12.827  -3.528
  638    HA   GLU  99           HA       GLU  99  -6.502  13.303  -3.607
  639    HB3  GLU  99           1HB      GLU  99  -4.472  12.501  -5.719
  640    HG3  GLU  99           1HG      GLU  99  -7.386  13.155  -6.081
  641    H    ALA 100           H        ALA 100  -4.674  10.283  -4.023
  642    HA   ALA 100           HA       ALA 100  -7.098   8.731  -4.625
  643    HB1  ALA 100           3HB      ALA 100  -4.909   8.099  -5.530
  644    HB2  ALA 100           1HB      ALA 100  -4.255   7.905  -3.888
  645    HB3  ALA 100           2HB      ALA 100  -5.541   6.811  -4.477
  646    H    PHE 101           H        PHE 101  -5.039   9.310  -1.716
  647    HA   PHE 101           HA       PHE 101  -6.335   7.440  -0.032
  648    HB3  PHE 101           1HB      PHE 101  -5.659   9.410   1.692
  649    HD1  PHE 101           HD2      PHE 101  -3.203   7.722  -0.728
  650    HD2  PHE 101           HD1      PHE 101  -4.952   7.835   3.229
  651    HE1  PHE 101           HE2      PHE 101  -1.601   6.054   0.047
  652    HE2  PHE 101           HE1      PHE 101  -3.322   6.129   3.978
  653    HZ   PHE 101           HZ       PHE 101  -1.612   5.261   2.356
  654    H    GLU 102           H        GLU 102  -7.103  10.952  -0.443
  655    HA   GLU 102           HA       GLU 102  -9.358  10.957   1.272
  656    HB3  GLU 102           1HB      GLU 102  -8.413  13.028   0.550
  657    HG3  GLU 102           1HG      GLU 102  -8.234  12.098  -2.012
  658    H    SER 103           H        SER 103  -9.094  10.009  -2.140
  659    HA   SER 103           HA       SER 103 -11.938   9.810  -2.549
  660    HB3  SER 103           1HB      SER 103 -10.937   8.320  -4.545
  661    HG   SER 103           HG       SER 103 -10.663  11.160  -4.178
  662    H    LEU 104           H        LEU 104  -9.576   7.574  -1.177
  663    HA   LEU 104           HA       LEU 104 -11.601   5.365  -1.271
  664    HB3  LEU 104           1HB      LEU 104  -9.603   3.976  -0.526
  665    HG   LEU 104           HG       LEU 104  -8.783   3.514  -2.590
  666   HD11  LEU 104          1HD1      LEU 104 -11.364   4.847  -3.465
  667   HD12  LEU 104          2HD1      LEU 104 -11.349   3.411  -2.416
  668   HD13  LEU 104          3HD1      LEU 104 -10.651   3.343  -4.031
  669   HD21  LEU 104          3HD2      LEU 104  -9.346   6.342  -3.553
  670   HD22  LEU 104          1HD2      LEU 104  -8.776   5.041  -4.569
  671   HD23  LEU 104          2HD2      LEU 104  -7.751   5.587  -3.246
  672    H    VAL 105           H        VAL 105 -10.004   7.456   1.025
  673    HA   VAL 105           HA       VAL 105 -10.946   6.051   3.349
  674    HB   VAL 105           HB       VAL 105  -9.159   7.980   3.135
  675   HG11  VAL 105          1HG1      VAL 105  -9.905  10.203   3.662
  676   HG12  VAL 105          2HG1      VAL 105 -10.817   9.675   2.264
  677   HG13  VAL 105          3HG1      VAL 105 -11.569   9.678   3.866
  678   HG21  VAL 105          3HG2      VAL 105  -9.858   6.753   5.205
  679   HG22  VAL 105          1HG2      VAL 105  -9.250   8.399   5.430
  680   HG23  VAL 105          2HG2      VAL 105 -11.002   8.070   5.524
  681    H    GLY 106           H        GLY 106 -12.436   8.148   1.018
  682    HA2  GLY 106           1HA      GLY 106 -14.766   8.179   0.614
  683    HA3  GLY 106           2HA      GLY 106 -15.089   7.989   2.363
  684    H    GLU 107           H        GLU 107 -12.721  10.268   2.227
  685    HA   GLU 107           HA       GLU 107 -14.457  12.465   2.884
  686    HB3  GLU 107           1HB      GLU 107 -12.173  13.742   2.529
  687    HG3  GLU 107           1HG      GLU 107 -11.281  12.828   4.695
  688    H    GLY 108           H        GLY 108 -12.721  11.601  -0.091
  689    HA2  GLY 108           1HA      GLY 108 -13.544  13.929  -1.612
  690    HA3  GLY 108           2HA      GLY 108 -12.873  12.408  -2.252
  Start of MODEL    9
    1    H1   MET   1           H        MET   1  12.562   2.912  13.015
    2    HA   MET   1           HA       MET   1  12.079   0.891  11.958
    3    HB3  MET   1           1HB      MET   1  11.216  -0.879  13.471
    4    HG3  MET   1           1HG      MET   1  13.186   0.952  14.889
    5    HE1  MET   1           3HE      MET   1  12.293  -1.248  17.927
    6    HE2  MET   1           1HE      MET   1  12.579   0.386  17.290
    7    HE3  MET   1           2HE      MET   1  11.138  -0.542  16.778
    8    H    LYS   2           H        LYS   2   9.406   2.751  13.050
    9    HA   LYS   2           HA       LYS   2   7.210   1.089  12.475
   10    HB3  LYS   2           1HB      LYS   2   7.432   4.131  12.376
   11    HG3  LYS   2           1HG      LYS   2   5.166   3.362  11.638
   12    HD3  LYS   2           1HD      LYS   2   5.103   1.995  14.377
   13    HE3  LYS   2           1HE      LYS   2   2.759   1.347  13.660
   14    HZ1  LYS   2           3HZ      LYS   2   3.082   3.167  15.250
   15    HZ2  LYS   2           1HZ      LYS   2   1.765   3.431  14.318
   16    HZ3  LYS   2           2HZ      LYS   2   3.136   4.265  14.037
   17    H    THR   3           H        THR   3   9.134   2.928  10.184
   18    HA   THR   3           HA       THR   3   7.276   2.816   7.932
   19    HB   THR   3           HB       THR   3   9.295   3.510   6.650
   20    HG1  THR   3           HG1      THR   3  11.163   3.985   7.949
   21   HG21  THR   3          3HG2      THR   3   8.856   5.123   9.203
   22   HG22  THR   3          1HG2      THR   3   7.848   5.198   7.736
   23   HG23  THR   3          2HG2      THR   3   9.553   5.716   7.677
   24    H    ARG   4           H        ARG   4   9.655   0.587   9.248
   25    HA   ARG   4           HA       ARG   4  10.457  -0.545   6.761
   26    HB3  ARG   4           1HB      ARG   4  11.651  -2.187   8.106
   27    HG3  ARG   4           1HG      ARG   4  12.790  -0.805   9.842
   28    HD3  ARG   4           1HD      ARG   4  13.640  -0.844   7.499
   29    HE   ARG   4           HE       ARG   4  11.604   0.967   6.918
   30   HH11  ARG   4          1HH1      ARG   4  15.130   1.067   6.578
   31   HH12  ARG   4          2HH1      ARG   4  15.070   2.097   5.185
   32   HH21  ARG   4          1HH2      ARG   4  11.594   2.298   5.053
   33   HH22  ARG   4          2HH2      ARG   4  13.110   2.805   4.369
   34    H    TYR   5           H        TYR   5  10.208  -2.525   5.880
   35    HA   TYR   5           HA       TYR   5   7.483  -3.380   5.674
   36    HB3  TYR   5           1HB      TYR   5   8.612  -4.903   3.871
   37    HD1  TYR   5           HD2      TYR   5  10.273  -1.616   3.651
   38    HD2  TYR   5           HD1      TYR   5   6.773  -3.926   2.742
   39    HE1  TYR   5           HE2      TYR   5   9.558   0.117   2.018
   40    HE2  TYR   5           HE1      TYR   5   6.003  -2.147   1.143
   41    HH   TYR   5           HH       TYR   5   8.023   0.733   0.426
   42    H    SER   6           H        SER   6   6.897  -5.761   5.253
   43    HA   SER   6           HA       SER   6   8.359  -7.590   7.076
   44    HB3  SER   6           1HB      SER   6   5.339  -7.425   6.826
   45    HG   SER   6           HG       SER   6   5.481  -8.852   8.679
   46    H    ALA   7           H        ALA   7   8.867  -9.530   6.270
   47    HA   ALA   7           HA       ALA   7   8.139 -10.214   3.509
   48    HB1  ALA   7           3HB      ALA   7  10.435 -10.427   4.384
   49    HB2  ALA   7           1HB      ALA   7   9.891 -11.574   5.625
   50    HB3  ALA   7           2HB      ALA   7   9.819 -12.019   3.910
   51    H    GLU   8           H        GLU   8   6.971 -11.155   6.637
   52    HA   GLU   8           HA       GLU   8   5.821 -13.688   5.678
   53    HB3  GLU   8           1HB      GLU   8   6.912 -13.779   7.781
   54    HG3  GLU   8           1HG      GLU   8   5.010 -11.624   8.783
   55    H    ALA   9           H        ALA   9   4.790 -11.569   4.303
   56    HA   ALA   9           HA       ALA   9   2.301 -10.577   5.300
   57    HB1  ALA   9           3HB      ALA   9   1.870  -9.985   2.925
   58    HB2  ALA   9           1HB      ALA   9   3.494  -9.493   3.455
   59    HB3  ALA   9           2HB      ALA   9   3.277 -10.945   2.435
   60    HA   PRO  10           HA       PRO  10  -0.556 -13.950   4.608
   61    HB3  PRO  10           1HB      PRO  10  -2.133 -12.571   5.604
   62    HG3  PRO  10           1HG      PRO  10  -2.285 -10.221   5.012
   63    HD3  PRO  10           1HD      PRO  10  -0.138 -10.728   5.877
   64    H    ALA  11           H        ALA  11  -1.839 -15.028   3.017
   65    HA   ALA  11           HA       ALA  11  -1.202 -14.509   0.181
   66    HB1  ALA  11           3HB      ALA  11  -2.577 -16.525  -0.206
   67    HB2  ALA  11           1HB      ALA  11  -1.325 -16.837   1.020
   68    HB3  ALA  11           2HB      ALA  11  -3.015 -16.565   1.517
   69    H    ARG  12           H        ARG  12  -2.885 -14.006  -1.411
   70    HA   ARG  12           HA       ARG  12  -4.451 -11.829  -0.530
   71    HB3  ARG  12           1HB      ARG  12  -4.897 -13.279  -3.158
   72    HG3  ARG  12           1HG      ARG  12  -4.991 -10.345  -2.263
   73    HD3  ARG  12           1HD      ARG  12  -5.481 -11.569  -5.013
   74    HE   ARG  12           HE       ARG  12  -6.248  -9.009  -3.869
   75   HH11  ARG  12          1HH1      ARG  12  -5.191 -10.378  -6.945
   76   HH12  ARG  12          2HH1      ARG  12  -6.204  -9.279  -7.863
   77   HH21  ARG  12          1HH2      ARG  12  -7.364  -7.530  -5.117
   78   HH22  ARG  12          2HH2      ARG  12  -7.248  -7.589  -6.845
   79    H    ASP  13           H        ASP  13  -5.428 -15.230  -0.865
   80    HA   ASP  13           HA       ASP  13  -8.263 -14.761  -0.545
   81    HB3  ASP  13           1HB      ASP  13  -6.652 -17.208   0.227
   82    H    GLU  14           H        GLU  14  -5.583 -14.933   1.797
   83    HA   GLU  14           HA       GLU  14  -7.405 -15.089   4.085
   84    HB3  GLU  14           1HB      GLU  14  -4.411 -14.520   4.017
   85    HG3  GLU  14           1HG      GLU  14  -6.327 -15.317   6.242
   86    H    LEU  15           H        LEU  15  -5.861 -12.647   2.132
   87    HA   LEU  15           HA       LEU  15  -6.403 -10.357   3.832
   88    HB3  LEU  15           1HB      LEU  15  -5.784 -10.418   0.836
   89    HG   LEU  15           HG       LEU  15  -5.284  -8.463   3.095
   90   HD11  LEU  15          1HD1      LEU  15  -3.475  -7.415   1.855
   91   HD12  LEU  15          2HD1      LEU  15  -3.622  -8.598   0.543
   92   HD13  LEU  15          3HD1      LEU  15  -3.043  -9.091   2.150
   93   HD21  LEU  15          3HD2      LEU  15  -7.145  -7.987   1.472
   94   HD22  LEU  15          1HD2      LEU  15  -5.994  -8.057   0.143
   95   HD23  LEU  15          2HD2      LEU  15  -5.841  -6.798   1.390
   96    H    ASP  16           H        ASP  16  -8.100 -11.982   1.173
   97    HA   ASP  16           HA       ASP  16 -10.270 -10.244   0.775
   98    HB3  ASP  16           1HB      ASP  16 -10.027 -13.266   0.612
   99    H    ARG  17           H        ARG  17  -9.586 -12.102   3.622
  100    HA   ARG  17           HA       ARG  17 -12.303 -12.218   4.674
  101    HB3  ARG  17           1HB      ARG  17 -11.226 -12.849   6.762
  102    HG3  ARG  17           1HG      ARG  17  -9.899 -14.799   6.121
  103    HD3  ARG  17           1HD      ARG  17 -12.121 -14.437   4.064
  104    HE   ARG  17           HE       ARG  17 -11.114 -16.987   5.263
  105   HH11  ARG  17          1HH1      ARG  17 -11.745 -15.207   2.242
  106   HH12  ARG  17          2HH1      ARG  17 -11.011 -16.461   1.285
  107   HH21  ARG  17          1HH2      ARG  17 -10.217 -18.521   3.932
  108   HH22  ARG  17          2HH2      ARG  17 -10.102 -18.228   2.221
  109    H    LEU  18           H        LEU  18 -10.077  -9.645   4.254
  110    HA   LEU  18           HA       LEU  18 -10.648  -8.073   6.579
  111    HB3  LEU  18           1HB      LEU  18 -10.019  -6.120   4.847
  112    HG   LEU  18           HG       LEU  18  -8.043  -8.315   5.602
  113   HD11  LEU  18          1HD1      LEU  18  -7.301  -7.063   3.598
  114   HD12  LEU  18          2HD1      LEU  18  -6.309  -6.656   5.006
  115   HD13  LEU  18          3HD1      LEU  18  -7.580  -5.536   4.440
  116   HD21  LEU  18          3HD2      LEU  18  -7.314  -6.535   7.263
  117   HD22  LEU  18          1HD2      LEU  18  -8.974  -7.095   7.551
  118   HD23  LEU  18          2HD2      LEU  18  -8.687  -5.540   6.747
  119    H    ALA  19           H        ALA  19 -11.631  -5.878   6.489
  120    HA   ALA  19           HA       ALA  19 -14.201  -5.705   5.014
  121    HB1  ALA  19           3HB      ALA  19 -13.987  -5.621   8.050
  122    HB2  ALA  19           1HB      ALA  19 -15.461  -5.349   7.077
  123    HB3  ALA  19           2HB      ALA  19 -14.685  -6.944   7.084
  124    H    GLY  20           H        GLY  20 -12.002  -3.982   7.304
  125    HA2  GLY  20           1HA      GLY  20 -13.238  -1.412   6.730
  126    HA3  GLY  20           2HA      GLY  20 -11.809  -1.711   7.751
  127    HA   PRO  21           HA       PRO  21 -10.627   0.272   3.602
  128    HB3  PRO  21           1HB      PRO  21 -11.457   2.375   4.019
  129    HG3  PRO  21           1HG      PRO  21 -11.818   3.145   6.237
  130    HD3  PRO  21           1HD      PRO  21 -12.916   1.068   6.148
  131    H    THR  22           H        THR  22  -8.798  -0.631   3.081
  132    HA   THR  22           HA       THR  22  -6.408  -0.529   4.891
  133    HB   THR  22           HB       THR  22  -7.493  -2.918   3.349
  134    HG1  THR  22           HG1      THR  22  -8.535  -2.507   5.270
  135   HG21  THR  22          3HG2      THR  22  -5.672  -4.191   4.513
  136   HG22  THR  22          1HG2      THR  22  -4.948  -2.659   5.008
  137   HG23  THR  22          2HG2      THR  22  -5.050  -3.088   3.289
  138    H    LEU  23           H        LEU  23  -4.396  -0.584   3.840
  139    HA   LEU  23           HA       LEU  23  -4.377  -0.323   0.876
  140    HB3  LEU  23           1HB      LEU  23  -2.741   1.294   2.891
  141    HG   LEU  23           HG       LEU  23  -1.423   0.925   0.840
  142   HD11  LEU  23          1HD1      LEU  23  -4.032   1.515  -0.480
  143   HD12  LEU  23          2HD1      LEU  23  -2.722   0.383  -0.899
  144   HD13  LEU  23          3HD1      LEU  23  -2.559   2.093  -1.283
  145   HD21  LEU  23          3HD2      LEU  23  -1.312   3.079   1.948
  146   HD22  LEU  23          1HD2      LEU  23  -2.669   3.681   0.964
  147   HD23  LEU  23          2HD2      LEU  23  -1.119   3.271   0.191
  148    H    VAL  24           H        VAL  24  -3.094  -1.808  -0.023
  149    HA   VAL  24           HA       VAL  24  -1.064  -3.234   1.656
  150    HB   VAL  24           HB       VAL  24  -2.285  -4.135  -0.985
  151   HG11  VAL  24          1HG1      VAL  24  -0.058  -5.157  -0.386
  152   HG12  VAL  24          2HG1      VAL  24  -0.767  -5.739   1.127
  153   HG13  VAL  24          3HG1      VAL  24  -1.378  -6.338  -0.423
  154   HG21  VAL  24          3HG2      VAL  24  -3.662  -5.715   0.292
  155   HG22  VAL  24          1HG2      VAL  24  -3.097  -4.989   1.823
  156   HG23  VAL  24          2HG2      VAL  24  -4.084  -4.056   0.692
  157    H    GLU  25           H        GLU  25   0.925  -2.596   1.381
  158    HA   GLU  25           HA       GLU  25   1.761  -1.215  -1.126
  159    HB3  GLU  25           1HB      GLU  25   2.811  -1.043   1.718
  160    HG3  GLU  25           1HG      GLU  25   3.584   0.678  -0.657
  161    H    PHE  26           H        PHE  26   3.184  -2.161  -2.427
  162    HA   PHE  26           HA       PHE  26   4.805  -4.477  -1.483
  163    HB3  PHE  26           1HB      PHE  26   4.910  -5.161  -3.759
  164    HD1  PHE  26           HD1      PHE  26   3.085  -6.374  -2.141
  165    HD2  PHE  26           HD2      PHE  26   2.203  -3.362  -5.079
  166    HE1  PHE  26           HE1      PHE  26   0.675  -6.999  -2.080
  167    HE2  PHE  26           HE2      PHE  26  -0.160  -4.066  -5.096
  168    HZ   PHE  26           HZ       PHE  26  -0.956  -5.825  -3.530
  169    H    GLY  27           H        GLY  27   6.888  -4.127  -1.050
  170    HA2  GLY  27           1HA      GLY  27   8.667  -2.557  -2.666
  171    HA3  GLY  27           2HA      GLY  27   8.184  -1.659  -1.254
  172    H    THR  28           H        THR  28  10.509  -1.757  -0.779
  173    HA   THR  28           HA       THR  28  11.084  -3.818   1.207
  174    HB   THR  28           HB       THR  28  13.413  -4.162   0.433
  175    HG1  THR  28           HG1      THR  28  13.802  -3.669  -1.803
  176   HG21  THR  28          3HG2      THR  28  11.456  -5.112  -1.680
  177   HG22  THR  28          1HG2      THR  28  11.663  -5.850  -0.087
  178   HG23  THR  28          2HG2      THR  28  13.007  -5.832  -1.227
  179    H    ASP  29           H        ASP  29  13.284  -3.135   2.311
  180    HA   ASP  29           HA       ASP  29  12.917  -0.326   3.102
  181    HB3  ASP  29           1HB      ASP  29  13.204  -2.043   4.806
  182    H    TRP  30           H        TRP  30  14.594  -1.851   0.651
  183    HA   TRP  30           HA       TRP  30  16.938   0.003   0.722
  184    HB3  TRP  30           1HB      TRP  30  17.607  -2.134   1.398
  185    HD1  TRP  30           HD       TRP  30  16.316  -4.290   1.896
  186    HE1  TRP  30           HE1      TRP  30  15.418  -6.265   0.554
  187    HE3  TRP  30           HE3      TRP  30  17.141  -2.483  -2.816
  188    HZ2  TRP  30           HZ2      TRP  30  14.981  -6.932  -2.235
  189    HZ3  TRP  30           HZ3      TRP  30  16.493  -3.794  -4.786
  190    HH2  TRP  30           HH       TRP  30  15.379  -6.011  -4.529
  191    H    CYS  31           H        CYS  31  14.331  -1.039  -1.424
  192    HA   CYS  31           HA       CYS  31  15.722  -0.435  -3.875
  193    HB2  CYS  31           1HB      CYS  31  13.693  -1.776  -3.863
  194    HB3  CYS  31           2HB      CYS  31  12.753  -0.426  -3.229
  195    H    GLY  32           H        GLY  32  15.880   1.427  -5.071
  196    HA2  GLY  32           1HA      GLY  32  15.828   4.000  -3.742
  197    HA3  GLY  32           2HA      GLY  32  16.171   3.706  -5.443
  198    H    HIS  33           H        HIS  33  13.407   2.265  -5.686
  199    HA   HIS  33           HA       HIS  33  11.711   4.617  -6.124
  200    HB2  HIS  33           1HB      HIS  33  10.898   1.693  -5.784
  201    HB3  HIS  33           2HB      HIS  33   9.956   3.007  -6.467
  202    HD1  HIS  33           HD1      HIS  33  12.128   0.231  -7.511
  203    HD2  HIS  33           HD2      HIS  33  10.968   4.012  -8.925
  204    HE1  HIS  33           HE1      HIS  33  12.230   0.105 -10.065
  205    H    CYS  34           H        CYS  34  11.977   2.039  -3.648
  206    HA   CYS  34           HA       CYS  34   9.824   2.899  -1.990
  207    HB3  CYS  34           1HB      CYS  34  11.329   1.632  -0.240
  208    HG   CYS  34           HG       CYS  34  10.242   0.375  -3.145
  209    H    GLN  35           H        GLN  35  13.251   3.902  -1.998
  210    HA   GLN  35           HA       GLN  35  13.082   5.295   0.486
  211    HB3  GLN  35           1HB      GLN  35  15.100   6.529  -0.247
  212    HG3  GLN  35           1HG      GLN  35  16.649   4.849  -0.704
  213   HE21  GLN  35          2HE2      GLN  35  14.800   2.082  -0.508
  214   HE22  GLN  35          1HE2      GLN  35  14.968   1.849   1.236
  215    H    ALA  36           H        ALA  36  11.922   6.172  -2.646
  216    HA   ALA  36           HA       ALA  36  11.403   9.010  -1.954
  217    HB1  ALA  36           3HB      ALA  36  10.823   7.365  -4.479
  218    HB2  ALA  36           1HB      ALA  36  10.649   9.123  -4.303
  219    HB3  ALA  36           2HB      ALA  36  12.258   8.380  -4.210
  220    H    ALA  37           H        ALA  37   9.592   5.957  -2.502
  221    HA   ALA  37           HA       ALA  37   7.012   7.299  -2.274
  222    HB1  ALA  37           3HB      ALA  37   7.690   4.340  -2.413
  223    HB2  ALA  37           1HB      ALA  37   6.078   5.084  -2.611
  224    HB3  ALA  37           2HB      ALA  37   7.359   5.413  -3.798
  225    H    GLN  38           H        GLN  38   9.090   5.461  -0.039
  226    HA   GLN  38           HA       GLN  38   7.112   4.963   1.977
  227    HB3  GLN  38           1HB      GLN  38   9.249   5.043   3.481
  228    HG3  GLN  38           1HG      GLN  38  10.064   2.953   1.746
  229   HE21  GLN  38          2HE2      GLN  38   7.078   1.930   3.175
  230   HE22  GLN  38          1HE2      GLN  38   7.806   1.474   4.718
  231    HA   PRO  39           HA       PRO  39   8.090   9.112   4.083
  232    HB3  PRO  39           1HB      PRO  39  10.238   9.867   3.735
  233    HG3  PRO  39           1HG      PRO  39  11.303   9.637   1.604
  234    HD3  PRO  39           1HD      PRO  39  10.621   7.474   2.287
  235    H    LEU  40           H        LEU  40   7.181   8.732   0.730
  236    HA   LEU  40           HA       LEU  40   5.488  11.082   0.521
  237    HB3  LEU  40           1HB      LEU  40   4.718   8.627  -1.007
  238    HG   LEU  40           HG       LEU  40   4.710   9.880  -2.895
  239   HD11  LEU  40          1HD1      LEU  40   3.059  10.704  -1.074
  240   HD12  LEU  40          2HD1      LEU  40   3.290  11.671  -2.520
  241   HD13  LEU  40          3HD1      LEU  40   4.070  12.154  -0.999
  242   HD21  LEU  40          3HD2      LEU  40   6.491  11.980  -1.604
  243   HD22  LEU  40          1HD2      LEU  40   5.825  12.052  -3.254
  244   HD23  LEU  40          2HD2      LEU  40   6.978  10.770  -2.820
  245    H    LEU  41           H        LEU  41   4.874   7.599   1.099
  246    HA   LEU  41           HA       LEU  41   2.133   7.781   1.814
  247    HB3  LEU  41           1HB      LEU  41   2.791   5.684   3.279
  248    HG   LEU  41           HG       LEU  41   2.525   4.172   1.529
  249   HD11  LEU  41          1HD1      LEU  41   0.927   6.576   0.631
  250   HD12  LEU  41          2HD1      LEU  41   0.542   5.558   2.030
  251   HD13  LEU  41          3HD1      LEU  41   0.564   4.873   0.392
  252   HD21  LEU  41          3HD2      LEU  41   3.455   6.358  -0.361
  253   HD22  LEU  41          1HD2      LEU  41   2.718   4.817  -0.871
  254   HD23  LEU  41          2HD2      LEU  41   4.255   4.831   0.013
  255    H    ALA  42           H        ALA  42   5.070   7.922   3.844
  256    HA   ALA  42           HA       ALA  42   3.828   8.307   6.339
  257    HB1  ALA  42           3HB      ALA  42   6.419   9.565   5.384
  258    HB2  ALA  42           1HB      ALA  42   5.961   9.188   7.059
  259    HB3  ALA  42           2HB      ALA  42   6.262   7.872   5.907
  260    H    GLU  43           H        GLU  43   4.332  10.787   3.817
  261    HA   GLU  43           HA       GLU  43   3.515  12.996   5.555
  262    HB3  GLU  43           1HB      GLU  43   3.296  14.193   3.277
  263    HG3  GLU  43           1HG      GLU  43   5.826  14.076   2.886
  264    H    VAL  44           H        VAL  44   1.863  11.091   2.964
  265    HA   VAL  44           HA       VAL  44  -0.631  12.503   3.272
  266    HB   VAL  44           HB       VAL  44  -0.345  11.465   1.236
  267   HG11  VAL  44          1HG1      VAL  44  -0.149   9.143   0.762
  268   HG12  VAL  44          2HG1      VAL  44   1.199   9.701   1.707
  269   HG13  VAL  44          3HG1      VAL  44  -0.075   8.720   2.488
  270   HG21  VAL  44          3HG2      VAL  44  -2.658  11.332   2.172
  271   HG22  VAL  44          1HG2      VAL  44  -2.316  10.119   0.933
  272   HG23  VAL  44          2HG2      VAL  44  -2.342   9.662   2.654
  273    H    PHE  45           H        PHE  45   0.471   9.420   4.659
  274    HA   PHE  45           HA       PHE  45  -1.976   8.554   5.705
  275    HB3  PHE  45           1HB      PHE  45   0.373   7.699   7.293
  276    HD1  PHE  45           HD2      PHE  45  -2.009   6.698   8.107
  277    HD2  PHE  45           HD1      PHE  45   0.077   5.602   4.496
  278    HE1  PHE  45           HE2      PHE  45  -3.250   4.591   8.030
  279    HE2  PHE  45           HE1      PHE  45  -1.154   3.456   4.435
  280    HZ   PHE  45           HZ       PHE  45  -2.839   2.939   6.197
  281    H    SER  46           H        SER  46   0.233  10.887   7.172
  282    HA   SER  46           HA       SER  46  -0.635  10.753   9.866
  283    HB3  SER  46           1HB      SER  46   0.097  13.138   9.976
  284    HG   SER  46           HG       SER  46   2.269  12.671   9.268
  285    H    ASP  47           H        ASP  47  -2.418  11.945   7.102
  286    HA   ASP  47           HA       ASP  47  -4.437  13.282   8.854
  287    HB3  ASP  47           1HB      ASP  47  -4.451  13.128   5.833
  288    H    TYR  48           H        TYR  48  -3.850  10.218   7.548
  289    HA   TYR  48           HA       TYR  48  -6.710   9.394   7.815
  290    HB3  TYR  48           1HB      TYR  48  -6.555   8.018   5.873
  291    HD1  TYR  48           HD1      TYR  48  -8.162   9.970   5.480
  292    HD2  TYR  48           HD2      TYR  48  -3.996  10.089   4.449
  293    HE1  TYR  48           HE1      TYR  48  -8.598  11.918   4.012
  294    HE2  TYR  48           HE2      TYR  48  -4.402  12.148   3.077
  295    HH   TYR  48           HH       TYR  48  -7.631  13.622   2.791
  296    HA   PRO  49           HA       PRO  49  -3.497   6.586  10.055
  297    HB3  PRO  49           1HB      PRO  49  -2.963   8.010  11.786
  298    HG3  PRO  49           1HG      PRO  49  -4.495   9.697  12.527
  299    HD3  PRO  49           1HD      PRO  49  -4.153   9.974  10.200
  300    H    GLU  50           H        GLU  50  -6.988   7.052  10.248
  301    HA   GLU  50           HA       GLU  50  -7.628   4.527  11.439
  302    HB3  GLU  50           1HB      GLU  50  -9.175   6.424  11.321
  303    HG3  GLU  50           1HG      GLU  50  -9.485   5.779   8.352
  304    H    VAL  51           H        VAL  51  -6.323   5.155   8.283
  305    HA   VAL  51           HA       VAL  51  -7.445   2.744   7.010
  306    HB   VAL  51           HB       VAL  51  -5.133   4.554   6.180
  307   HG11  VAL  51          1HG1      VAL  51  -6.550   2.343   4.602
  308   HG12  VAL  51          2HG1      VAL  51  -5.353   3.485   3.939
  309   HG13  VAL  51          3HG1      VAL  51  -4.861   2.302   5.153
  310   HG21  VAL  51          3HG2      VAL  51  -7.982   4.395   5.136
  311   HG22  VAL  51          1HG2      VAL  51  -7.309   5.709   6.127
  312   HG23  VAL  51          2HG2      VAL  51  -6.699   5.433   4.499
  313    H    GLY  52           H        GLY  52  -6.446   0.720   6.959
  314    HA2  GLY  52           1HA      GLY  52  -4.117   0.203   8.758
  315    HA3  GLY  52           2HA      GLY  52  -5.111  -1.008   7.933
  316    H    HIS  53           H        HIS  53  -2.010  -0.101   7.985
  317    HA   HIS  53           HA       HIS  53  -1.667  -0.238   5.006
  318    HB2  HIS  53           1HB      HIS  53  -0.673   1.697   6.500
  319    HB3  HIS  53           2HB      HIS  53   0.533   0.504   6.943
  320    HD1  HIS  53           HD1      HIS  53   2.415   2.032   5.649
  321    HD2  HIS  53           HD2      HIS  53  -0.726   0.570   3.270
  322    HE1  HIS  53           HE1      HIS  53   3.058   2.461   3.200
  323    H    LEU  54           H        LEU  54  -1.014  -2.144   4.185
  324    HA   LEU  54           HA       LEU  54   0.397  -4.131   5.925
  325    HB3  LEU  54           1HB      LEU  54  -1.024  -4.714   3.307
  326    HG   LEU  54           HG       LEU  54  -1.409  -6.889   4.137
  327   HD11  LEU  54          1HD1      LEU  54   0.801  -7.848   4.356
  328   HD12  LEU  54          2HD1      LEU  54   1.487  -6.312   4.892
  329   HD13  LEU  54          3HD1      LEU  54   0.875  -6.483   3.230
  330   HD21  LEU  54          3HD2      LEU  54  -0.801  -7.715   6.335
  331   HD22  LEU  54          1HD2      LEU  54  -1.880  -6.316   6.496
  332   HD23  LEU  54          2HD2      LEU  54  -0.139  -6.131   6.795
  333    H    LYS  55           H        LYS  55   2.474  -3.592   5.763
  334    HA   LYS  55           HA       LYS  55   3.763  -2.855   3.229
  335    HB3  LYS  55           1HB      LYS  55   5.808  -3.079   4.684
  336    HG3  LYS  55           1HG      LYS  55   3.676  -1.027   5.065
  337    HD3  LYS  55           1HD      LYS  55   5.313   0.337   6.290
  338    HE3  LYS  55           1HE      LYS  55   4.520  -2.299   7.623
  339    HZ1  LYS  55           3HZ      LYS  55   4.968  -1.204   9.700
  340    HZ2  LYS  55           1HZ      LYS  55   5.563   0.128   8.970
  341    HZ3  LYS  55           2HZ      LYS  55   6.350  -1.310   8.829
  342    H    VAL  56           H        VAL  56   3.789  -4.562   1.765
  343    HA   VAL  56           HA       VAL  56   4.804  -7.238   2.600
  344    HB   VAL  56           HB       VAL  56   4.013  -6.265  -0.169
  345   HG11  VAL  56          1HG1      VAL  56   3.863  -8.657  -0.735
  346   HG12  VAL  56          2HG1      VAL  56   5.481  -8.260  -0.181
  347   HG13  VAL  56          3HG1      VAL  56   4.371  -9.088   0.920
  348   HG21  VAL  56          3HG2      VAL  56   2.282  -7.795   1.803
  349   HG22  VAL  56          1HG2      VAL  56   2.030  -6.113   1.259
  350   HG23  VAL  56          2HG2      VAL  56   1.880  -7.441   0.119
  351    H    GLU  57           H        GLU  57   6.816  -7.632   2.710
  352    HA   GLU  57           HA       GLU  57   8.829  -6.076   1.326
  353    HB3  GLU  57           1HB      GLU  57   9.438  -8.673   2.726
  354    HG3  GLU  57           1HG      GLU  57  10.635  -5.891   2.677
  355    H    ASP  58           H        ASP  58   7.939  -6.353  -0.761
  356    HA   ASP  58           HA       ASP  58   7.445  -8.906  -1.956
  357    HB3  ASP  58           1HB      ASP  58   7.456  -6.226  -3.367
  358    H    GLY  59           H        GLY  59  10.355  -7.868  -1.394
  359    HA2  GLY  59           1HA      GLY  59  11.643  -8.699  -3.967
  360    HA3  GLY  59           2HA      GLY  59  12.480  -8.018  -2.566
  361    HA   PRO  60           HA       PRO  60  13.410 -12.147  -1.434
  362    HB3  PRO  60           1HB      PRO  60  15.014 -11.042  -0.154
  363    HG3  PRO  60           1HG      PRO  60  14.382  -9.270   1.357
  364    HD3  PRO  60           1HD      PRO  60  13.722  -8.587  -0.789
  365    H    GLY  61           H        GLY  61  10.546 -10.830   0.113
  366    HA2  GLY  61           1HA      GLY  61   9.980 -13.118   1.837
  367    HA3  GLY  61           2HA      GLY  61   8.914 -11.739   1.468
  368    H    ARG  62           H        ARG  62   7.355 -13.594   1.579
  369    HA   ARG  62           HA       ARG  62   7.170 -15.541  -0.524
  370    HB3  ARG  62           1HB      ARG  62   4.721 -15.605   0.130
  371    HG3  ARG  62           1HG      ARG  62   6.603 -15.718   2.528
  372    HD3  ARG  62           1HD      ARG  62   5.175 -17.818   2.942
  373    HE   ARG  62           HE       ARG  62   3.472 -15.363   3.084
  374   HH11  ARG  62          1HH1      ARG  62   5.559 -17.635   4.844
  375   HH12  ARG  62          2HH1      ARG  62   4.919 -17.140   6.383
  376   HH21  ARG  62          1HH2      ARG  62   2.793 -14.733   5.072
  377   HH22  ARG  62          2HH2      ARG  62   3.357 -15.522   6.519
  378    H    ARG  63           H        ARG  63   6.465 -12.170  -0.532
  379    HA   ARG  63           HA       ARG  63   5.825 -10.652  -2.052
  380    HB3  ARG  63           1HB      ARG  63   5.726 -11.114  -4.438
  381    HG3  ARG  63           1HG      ARG  63   8.111 -12.621  -3.303
  382    HD3  ARG  63           1HD      ARG  63   7.933 -12.587  -5.766
  383    HE   ARG  63           HE       ARG  63   7.747  -9.629  -5.365
  384   HH11  ARG  63          1HH1      ARG  63   7.961 -12.189  -7.813
  385   HH12  ARG  63          2HH1      ARG  63   7.243 -11.178  -9.029
  386   HH21  ARG  63          1HH2      ARG  63   6.740  -8.493  -6.851
  387   HH22  ARG  63          2HH2      ARG  63   6.598  -9.040  -8.509
  388    H    LEU  64           H        LEU  64   4.024  -9.854  -3.252
  389    HA   LEU  64           HA       LEU  64   1.479 -11.394  -3.262
  390    HB3  LEU  64           1HB      LEU  64   1.807  -8.881  -1.623
  391    HG   LEU  64           HG       LEU  64  -0.497  -9.291  -2.305
  392   HD11  LEU  64          1HD1      LEU  64  -0.185 -12.054  -1.050
  393   HD12  LEU  64          2HD1      LEU  64  -0.604 -11.672  -2.737
  394   HD13  LEU  64          3HD1      LEU  64  -1.744 -11.296  -1.455
  395   HD21  LEU  64          3HD2      LEU  64  -0.124  -8.362  -0.068
  396   HD22  LEU  64          1HD2      LEU  64   0.082  -9.983   0.612
  397   HD23  LEU  64          2HD2      LEU  64  -1.494  -9.460   0.011
  398    H    GLY  65           H        GLY  65   3.303  -8.468  -4.247
  399    HA2  GLY  65           1HA      GLY  65   1.232  -7.278  -5.798
  400    HA3  GLY  65           2HA      GLY  65   2.972  -7.082  -6.063
  401    H    ARG  66           H        ARG  66   3.258 -10.019  -6.484
  402    HA   ARG  66           HA       ARG  66   2.787 -10.635  -9.202
  403    HB3  ARG  66           1HB      ARG  66   2.938 -12.277  -6.650
  404    HG3  ARG  66           1HG      ARG  66   3.299 -13.329  -9.488
  405    HD3  ARG  66           1HD      ARG  66   4.723 -14.443  -7.807
  406    HE   ARG  66           HE       ARG  66   2.158 -14.783  -6.283
  407   HH11  ARG  66          1HH1      ARG  66   5.677 -15.283  -6.250
  408   HH12  ARG  66          2HH1      ARG  66   5.705 -15.287  -4.499
  409   HH21  ARG  66          1HH2      ARG  66   2.352 -14.826  -4.045
  410   HH22  ARG  66          2HH2      ARG  66   3.929 -15.002  -3.322
  411    H    SER  67           H        SER  67   0.725 -11.416  -6.343
  412    HA   SER  67           HA       SER  67  -1.372 -12.583  -8.021
  413    HB3  SER  67           1HB      SER  67  -2.317 -13.299  -5.929
  414    HG   SER  67           HG       SER  67  -0.563 -14.440  -5.082
  415    H    PHE  68           H        PHE  68  -0.738  -9.459  -6.870
  416    HA   PHE  68           HA       PHE  68  -3.511  -8.529  -7.368
  417    HB3  PHE  68           1HB      PHE  68  -2.291  -6.251  -7.025
  418    HD1  PHE  68           HD1      PHE  68  -1.376  -8.572  -4.304
  419    HD2  PHE  68           HD2      PHE  68  -4.359  -5.929  -5.875
  420    HE1  PHE  68           HE1      PHE  68  -2.525  -8.637  -2.123
  421    HE2  PHE  68           HE2      PHE  68  -5.506  -5.913  -3.668
  422    HZ   PHE  68           HZ       PHE  68  -4.596  -7.273  -1.773
  423    H    GLN  69           H        GLN  69  -0.860  -9.461  -9.229
  424    HA   GLN  69           HA       GLN  69  -0.099  -9.036 -11.310
  425    HB3  GLN  69           1HB      GLN  69  -1.868  -8.632 -13.013
  426    HG3  GLN  69           1HG      GLN  69  -1.344 -10.898 -12.046
  427   HE21  GLN  69          2HE2      GLN  69  -4.237  -9.453 -10.387
  428   HE22  GLN  69          1HE2      GLN  69  -4.275 -10.776  -9.218
  429    H    VAL  70           H        VAL  70   0.717  -7.184  -9.680
  430    HA   VAL  70           HA       VAL  70   0.121  -4.461 -10.248
  431    HB   VAL  70           HB       VAL  70   2.436  -5.923  -8.957
  432   HG11  VAL  70          1HG1      VAL  70   3.513  -3.931  -9.816
  433   HG12  VAL  70          2HG1      VAL  70   2.177  -2.906  -9.249
  434   HG13  VAL  70          3HG1      VAL  70   3.257  -3.744  -8.083
  435   HG21  VAL  70          3HG2      VAL  70   1.521  -4.978  -6.931
  436   HG22  VAL  70          1HG2      VAL  70   0.331  -4.024  -7.845
  437   HG23  VAL  70          2HG2      VAL  70   0.222  -5.791  -7.789
  438    H    LYS  71           H        LYS  71   1.066  -2.911 -11.475
  439    HA   LYS  71           HA       LYS  71   2.312  -3.756 -14.005
  440    HB3  LYS  71           1HB      LYS  71   2.101  -1.248 -14.466
  441    HG3  LYS  71           1HG      LYS  71   0.405  -3.079 -15.104
  442    HD3  LYS  71           1HD      LYS  71  -1.289  -1.466 -13.099
  443    HE3  LYS  71           1HE      LYS  71  -2.908  -3.364 -13.649
  444    HZ1  LYS  71           3HZ      LYS  71  -2.197  -1.622 -15.948
  445    HZ2  LYS  71           1HZ      LYS  71  -3.214  -1.203 -14.743
  446    HZ3  LYS  71           2HZ      LYS  71  -3.616  -2.407 -15.763
  447    H    LEU  72           H        LEU  72   3.328  -0.714 -12.555
  448    HA   LEU  72           HA       LEU  72   6.156  -1.540 -12.611
  449    HB3  LEU  72           1HB      LEU  72   5.083   1.006 -11.367
  450    HG   LEU  72           HG       LEU  72   7.615   0.348 -11.441
  451   HD11  LEU  72          1HD1      LEU  72   7.241   1.160 -14.350
  452   HD12  LEU  72          2HD1      LEU  72   7.702  -0.451 -13.763
  453   HD13  LEU  72          3HD1      LEU  72   8.781   0.921 -13.526
  454   HD21  LEU  72          3HD2      LEU  72   6.674   2.984 -12.642
  455   HD22  LEU  72          1HD2      LEU  72   8.266   2.696 -11.898
  456   HD23  LEU  72          2HD2      LEU  72   6.794   2.622 -10.909
  457    H    TRP  73           H        TRP  73   7.403  -1.931 -10.762
  458    HA   TRP  73           HA       TRP  73   6.038  -3.422  -8.821
  459    HB3  TRP  73           1HB      TRP  73   8.844  -2.343  -8.750
  460    HD1  TRP  73           HD       TRP  73   7.265  -5.788  -7.912
  461    HE1  TRP  73           HE1      TRP  73   8.064  -6.501  -5.590
  462    HE3  TRP  73           HE3      TRP  73   9.816  -1.562  -6.671
  463    HZ2  TRP  73           HZ2      TRP  73   9.998  -5.506  -3.616
  464    HZ3  TRP  73           HZ3      TRP  73  11.074  -1.438  -4.524
  465    HH2  TRP  73           HH       TRP  73  11.264  -3.412  -3.069
  466    HA   PRO  74           HA       PRO  74   6.652  -0.138  -5.475
  467    HB3  PRO  74           1HB      PRO  74   8.444   1.245  -5.967
  468    HG3  PRO  74           1HG      PRO  74   8.690   2.215  -8.175
  469    HD3  PRO  74           1HD      PRO  74   8.639  -0.100  -8.529
  470    H    THR  75           H        THR  75   4.499  -0.741  -5.452
  471    HA   THR  75           HA       THR  75   2.405   1.209  -6.303
  472    HB   THR  75           HB       THR  75   2.712  -1.713  -7.050
  473    HG1  THR  75           HG1      THR  75   3.274  -0.689  -8.802
  474   HG21  THR  75          3HG2      THR  75   0.372  -1.568  -6.375
  475   HG22  THR  75          1HG2      THR  75   0.460  -1.544  -8.137
  476   HG23  THR  75          2HG2      THR  75   0.169  -0.028  -7.250
  477    H    PHE  76           H        PHE  76   0.573   1.146  -5.134
  478    HA   PHE  76           HA       PHE  76   0.301  -0.845  -3.015
  479    HB3  PHE  76           1HB      PHE  76   1.127   0.737  -1.547
  480    HD1  PHE  76           HD1      PHE  76   2.865   1.883  -2.877
  481    HD2  PHE  76           HD2      PHE  76  -1.154   3.359  -2.412
  482    HE1  PHE  76           HE1      PHE  76   3.604   4.121  -3.685
  483    HE2  PHE  76           HE2      PHE  76  -0.410   5.583  -3.128
  484    HZ   PHE  76           HZ       PHE  76   1.935   5.953  -3.862
  485    H    VAL  77           H        VAL  77  -1.631  -1.609  -2.789
  486    HA   VAL  77           HA       VAL  77  -3.834  -0.596  -4.543
  487    HB   VAL  77           HB       VAL  77  -3.428  -3.370  -3.390
  488   HG11  VAL  77          1HG1      VAL  77  -5.237  -4.020  -4.961
  489   HG12  VAL  77          2HG1      VAL  77  -5.832  -2.796  -3.847
  490   HG13  VAL  77          3HG1      VAL  77  -5.393  -2.366  -5.502
  491   HG21  VAL  77          3HG2      VAL  77  -1.740  -2.697  -5.168
  492   HG22  VAL  77          1HG2      VAL  77  -2.770  -4.060  -5.626
  493   HG23  VAL  77          2HG2      VAL  77  -3.072  -2.446  -6.275
  494    H    PHE  78           H        PHE  78  -5.630   0.171  -3.709
  495    HA   PHE  78           HA       PHE  78  -5.961   0.226  -0.748
  496    HB3  PHE  78           1HB      PHE  78  -7.715   1.895  -1.203
  497    HD1  PHE  78           HD2      PHE  78  -5.024   2.396  -3.766
  498    HD2  PHE  78           HD1      PHE  78  -6.433   3.437   0.183
  499    HE1  PHE  78           HE2      PHE  78  -3.189   4.024  -3.525
  500    HE2  PHE  78           HE1      PHE  78  -4.630   5.160   0.332
  501    HZ   PHE  78           HZ       PHE  78  -3.035   5.448  -1.545
  502    H    LEU  79           H        LEU  79  -7.280  -1.033   0.223
  503    HA   LEU  79           HA       LEU  79  -9.282  -2.686  -1.238
  504    HB3  LEU  79           1HB      LEU  79  -8.994  -4.134   0.912
  505    HG   LEU  79           HG       LEU  79  -6.886  -5.210   0.323
  506   HD11  LEU  79          1HD1      LEU  79  -9.064  -5.979  -0.558
  507   HD12  LEU  79          2HD1      LEU  79  -7.668  -6.404  -1.555
  508   HD13  LEU  79          3HD1      LEU  79  -8.702  -5.062  -2.046
  509   HD21  LEU  79          3HD2      LEU  79  -5.721  -4.750  -1.742
  510   HD22  LEU  79          1HD2      LEU  79  -5.800  -3.258  -0.781
  511   HD23  LEU  79          2HD2      LEU  79  -6.925  -3.499  -2.151
  512    H    ARG  80           H        ARG  80 -11.152  -3.125  -0.161
  513    HA   ARG  80           HA       ARG  80 -11.930  -2.183   2.443
  514    HB3  ARG  80           1HB      ARG  80 -13.516  -0.841   0.235
  515    HG3  ARG  80           1HG      ARG  80 -12.996  -0.236   3.169
  516    HD3  ARG  80           1HD      ARG  80 -13.047   1.828   1.798
  517    HE   ARG  80           HE       ARG  80 -15.647   0.728   0.857
  518   HH11  ARG  80          1HH1      ARG  80 -13.430   3.537   0.730
  519   HH12  ARG  80          2HH1      ARG  80 -14.279   4.201  -0.627
  520   HH21  ARG  80          1HH2      ARG  80 -16.615   1.665  -0.904
  521   HH22  ARG  80          2HH2      ARG  80 -16.010   3.154  -1.555
  522    H    ASP  81           H        ASP  81 -13.680  -3.360   3.123
  523    HA   ASP  81           HA       ASP  81 -15.077  -5.170   3.207
  524    HB3  ASP  81           1HB      ASP  81 -15.796  -4.644   0.307
  525    H    GLY  82           H        GLY  82 -12.277  -5.629   2.572
  526    HA2  GLY  82           1HA      GLY  82 -10.837  -7.314   1.933
  527    HA3  GLY  82           2HA      GLY  82 -12.261  -8.341   1.676
  528    H    ARG  83           H        ARG  83 -12.438  -5.556  -0.291
  529    HA   ARG  83           HA       ARG  83 -11.334  -6.991  -2.669
  530    HB3  ARG  83           1HB      ARG  83 -13.315  -5.874  -3.883
  531    HG3  ARG  83           1HG      ARG  83 -13.787  -8.108  -1.894
  532    HD3  ARG  83           1HD      ARG  83 -15.441  -8.905  -3.601
  533    HE   ARG  83           HE       ARG  83 -16.034  -7.117  -1.635
  534   HH11  ARG  83          1HH1      ARG  83 -17.293  -7.397  -4.935
  535   HH12  ARG  83          2HH1      ARG  83 -18.848  -6.765  -4.489
  536   HH21  ARG  83          1HH2      ARG  83 -18.061  -6.346  -1.116
  537   HH22  ARG  83          2HH2      ARG  83 -19.267  -6.146  -2.366
  538    H    GLU  84           H        GLU  84 -10.653  -5.737  -4.323
  539    HA   GLU  84           HA       GLU  84  -9.252  -3.334  -3.500
  540    HB3  GLU  84           1HB      GLU  84  -9.458  -4.794  -6.147
  541    HG3  GLU  84           1HG      GLU  84  -7.871  -2.273  -5.539
  542    H    VAL  85           H        VAL  85  -9.940  -1.347  -3.485
  543    HA   VAL  85           HA       VAL  85 -12.356  -0.498  -5.043
  544    HB   VAL  85           HB       VAL  85 -12.298   1.532  -3.559
  545   HG11  VAL  85          1HG1      VAL  85 -13.425   0.414  -1.713
  546   HG12  VAL  85          2HG1      VAL  85 -13.848  -0.376  -3.233
  547   HG13  VAL  85          3HG1      VAL  85 -12.671  -1.140  -2.152
  548   HG21  VAL  85          3HG2      VAL  85 -11.113   1.499  -1.461
  549   HG22  VAL  85          1HG2      VAL  85 -10.470  -0.115  -1.763
  550   HG23  VAL  85          2HG2      VAL  85  -9.902   1.266  -2.730
  551    H    ALA  86           H        ALA  86  -8.907  -0.042  -4.783
  552    HA   ALA  86           HA       ALA  86  -8.677   1.350  -7.293
  553    HB1  ALA  86           3HB      ALA  86  -9.444   3.277  -5.931
  554    HB2  ALA  86           1HB      ALA  86  -8.198   2.894  -4.706
  555    HB3  ALA  86           2HB      ALA  86  -7.733   3.480  -6.296
  556    H    ARG  87           H        ARG  87  -6.311   2.213  -7.464
  557    HA   ARG  87           HA       ARG  87  -4.457   1.367  -5.446
  558    HB3  ARG  87           1HB      ARG  87  -4.614  -0.737  -6.617
  559    HG3  ARG  87           1HG      ARG  87  -3.618   0.819  -9.053
  560    HD3  ARG  87           1HD      ARG  87  -2.428  -1.331  -8.426
  561    HE   ARG  87           HE       ARG  87  -5.088  -2.421  -8.486
  562   HH11  ARG  87          1HH1      ARG  87  -1.902  -3.332  -9.799
  563   HH12  ARG  87          2HH1      ARG  87  -2.327  -5.026  -9.770
  564   HH21  ARG  87          1HH2      ARG  87  -5.460  -4.587  -8.367
  565   HH22  ARG  87          2HH2      ARG  87  -4.268  -5.715  -9.009
  566    H    VAL  88           H        VAL  88  -2.388   2.291  -5.695
  567    HA   VAL  88           HA       VAL  88  -2.162   4.457  -7.796
  568    HB   VAL  88           HB       VAL  88  -1.302   4.459  -4.925
  569   HG11  VAL  88          1HG1      VAL  88  -0.306   6.744  -5.361
  570   HG12  VAL  88          2HG1      VAL  88   0.544   5.479  -6.260
  571   HG13  VAL  88          3HG1      VAL  88  -0.621   6.522  -7.091
  572   HG21  VAL  88          3HG2      VAL  88  -3.668   5.207  -5.358
  573   HG22  VAL  88          1HG2      VAL  88  -2.648   6.387  -4.528
  574   HG23  VAL  88          2HG2      VAL  88  -3.005   6.567  -6.272
  575    H    VAL  89           H        VAL  89  -0.671   4.000  -9.178
  576    HA   VAL  89           HA       VAL  89   1.689   2.259  -8.496
  577    HB   VAL  89           HB       VAL  89   0.449   2.965 -11.192
  578   HG11  VAL  89          1HG1      VAL  89   2.813   1.124 -10.636
  579   HG12  VAL  89          2HG1      VAL  89   1.984   1.297 -12.191
  580   HG13  VAL  89          3HG1      VAL  89   2.847   2.669 -11.505
  581   HG21  VAL  89          3HG2      VAL  89   0.437   0.255  -9.816
  582   HG22  VAL  89          1HG2      VAL  89  -0.956   1.333  -9.980
  583   HG23  VAL  89          2HG2      VAL  89  -0.210   0.621 -11.419
  584    H    ARG  90           H        ARG  90   3.623   3.285  -8.421
  585    HA   ARG  90           HA       ARG  90   5.226   4.852  -8.487
  586    HB3  ARG  90           1HB      ARG  90   4.076   5.653 -11.180
  587    HG3  ARG  90           1HG      ARG  90   6.952   5.436 -10.176
  588    HD3  ARG  90           1HD      ARG  90   5.759   6.747 -12.653
  589    HE   ARG  90           HE       ARG  90   8.254   7.182 -11.434
  590   HH11  ARG  90          1HH1      ARG  90   7.156   6.240 -14.655
  591   HH12  ARG  90          2HH1      ARG  90   8.579   6.884 -15.426
  592   HH21  ARG  90          1HH2      ARG  90  10.061   8.009 -12.508
  593   HH22  ARG  90          2HH2      ARG  90  10.181   7.852 -14.233
  594    HA   PRO  91           HA       PRO  91   2.454   8.334  -6.932
  595    HB3  PRO  91           1HB      PRO  91   2.649   7.745  -4.801
  596    HG3  PRO  91           1HG      PRO  91   4.467   6.407  -4.026
  597    HD3  PRO  91           1HD      PRO  91   3.678   5.258  -5.945
  598    H    GLY  92           H        GLY  92   2.716  10.288  -7.893
  599    HA2  GLY  92           1HA      GLY  92   5.355  11.204  -8.814
  600    HA3  GLY  92           2HA      GLY  92   3.771  11.930  -9.173
  601    H    SER  93           H        SER  93   2.985  12.206  -6.404
  602    HA   SER  93           HA       SER  93   4.779  13.728  -4.806
  603    HB3  SER  93           1HB      SER  93   2.743  15.443  -6.277
  604    HG   SER  93           HG       SER  93   4.077  17.110  -5.274
  605    H    ALA  94           H        ALA  94   3.595  14.760  -2.955
  606    HA   ALA  94           HA       ALA  94   1.644  13.042  -1.800
  607    HB1  ALA  94           3HB      ALA  94   1.487  14.839  -0.099
  608    HB2  ALA  94           1HB      ALA  94   3.175  14.531  -0.531
  609    HB3  ALA  94           2HB      ALA  94   2.333  15.956  -1.193
  610    H    SER  95           H        SER  95   1.161  16.034  -3.721
  611    HA   SER  95           HA       SER  95  -1.620  16.257  -3.382
  612    HB3  SER  95           1HB      SER  95  -1.606  17.576  -5.414
  613    HG   SER  95           HG       SER  95   0.172  18.974  -4.950
  614    H    VAL  96           H        VAL  96   0.086  13.804  -5.205
  615    HA   VAL  96           HA       VAL  96  -2.361  12.931  -6.675
  616    HB   VAL  96           HB       VAL  96   0.476  11.814  -6.696
  617   HG11  VAL  96          1HG1      VAL  96  -1.935  11.151  -8.440
  618   HG12  VAL  96          2HG1      VAL  96  -0.270  10.590  -8.738
  619   HG13  VAL  96          3HG1      VAL  96  -1.125  10.066  -7.287
  620   HG21  VAL  96          3HG2      VAL  96   0.436  14.047  -7.722
  621   HG22  VAL  96          1HG2      VAL  96   0.649  12.802  -8.959
  622   HG23  VAL  96          2HG2      VAL  96  -0.936  13.580  -8.747
  623    H    LEU  97           H        LEU  97  -0.075  11.849  -4.110
  624    HA   LEU  97           HA       LEU  97  -1.432   9.352  -3.680
  625    HB3  LEU  97           1HB      LEU  97   0.075  10.362  -1.370
  626    HG   LEU  97           HG       LEU  97   0.653   8.183  -3.470
  627   HD11  LEU  97          1HD1      LEU  97   1.880   8.633  -0.728
  628   HD12  LEU  97          2HD1      LEU  97   2.681   8.790  -2.319
  629   HD13  LEU  97          3HD1      LEU  97   2.122   7.212  -1.777
  630   HD21  LEU  97          3HD2      LEU  97  -0.140   6.766  -1.353
  631   HD22  LEU  97          1HD2      LEU  97  -1.345   7.494  -2.451
  632   HD23  LEU  97          2HD2      LEU  97  -0.962   8.274  -0.920
  633    H    GLU  98           H        GLU  98  -1.533  12.418  -1.807
  634    HA   GLU  98           HA       GLU  98  -3.534  11.724   0.051
  635    HB3  GLU  98           1HB      GLU  98  -4.013  14.171   0.121
  636    HG3  GLU  98           1HG      GLU  98  -1.028  13.572   0.131
  637    H    GLU  99           H        GLU  99  -3.931  13.000  -3.286
  638    HA   GLU  99           HA       GLU  99  -6.727  13.370  -3.297
  639    HB3  GLU  99           1HB      GLU  99  -4.727  12.647  -5.477
  640    HG3  GLU  99           1HG      GLU  99  -7.687  13.192  -5.739
  641    H    ALA 100           H        ALA 100  -4.835  10.392  -3.812
  642    HA   ALA 100           HA       ALA 100  -7.214   8.790  -4.415
  643    HB1  ALA 100           3HB      ALA 100  -4.372   7.977  -3.700
  644    HB2  ALA 100           1HB      ALA 100  -5.634   6.916  -4.364
  645    HB3  ALA 100           2HB      ALA 100  -4.995   8.253  -5.344
  646    H    PHE 101           H        PHE 101  -5.139   9.380  -1.507
  647    HA   PHE 101           HA       PHE 101  -6.293   7.401   0.171
  648    HB3  PHE 101           1HB      PHE 101  -5.682   9.351   1.911
  649    HD1  PHE 101           HD2      PHE 101  -3.224   7.764  -0.581
  650    HD2  PHE 101           HD1      PHE 101  -4.900   7.797   3.421
  651    HE1  PHE 101           HE2      PHE 101  -1.594   6.111   0.154
  652    HE2  PHE 101           HE1      PHE 101  -3.250   6.108   4.124
  653    HZ   PHE 101           HZ       PHE 101  -1.579   5.270   2.460
  654    H    GLU 102           H        GLU 102  -7.218  10.877  -0.125
  655    HA   GLU 102           HA       GLU 102  -9.447  10.691   1.626
  656    HB3  GLU 102           1HB      GLU 102  -8.609  12.821   1.128
  657    HG3  GLU 102           1HG      GLU 102  -8.449  12.093  -1.597
  658    H    SER 103           H        SER 103  -9.203   9.943  -1.835
  659    HA   SER 103           HA       SER 103 -12.046   9.771  -2.262
  660    HB3  SER 103           1HB      SER 103  -9.783   8.471  -3.830
  661    HG   SER 103           HG       SER 103 -11.309   8.705  -5.555
  662    H    LEU 104           H        LEU 104  -9.651   7.453  -1.047
  663    HA   LEU 104           HA       LEU 104 -11.661   5.245  -1.177
  664    HB3  LEU 104           1HB      LEU 104  -9.685   3.829  -0.543
  665    HG   LEU 104           HG       LEU 104  -8.886   3.495  -2.630
  666   HD11  LEU 104          1HD1      LEU 104 -11.455   3.543  -2.616
  667   HD12  LEU 104          2HD1      LEU 104 -10.683   3.610  -4.184
  668   HD13  LEU 104          3HD1      LEU 104 -11.331   5.094  -3.467
  669   HD21  LEU 104          3HD2      LEU 104  -9.245   6.388  -3.421
  670   HD22  LEU 104          1HD2      LEU 104  -8.619   5.130  -4.449
  671   HD23  LEU 104          2HD2      LEU 104  -7.699   5.571  -3.006
  672    H    VAL 105           H        VAL 105 -10.017   7.215   1.201
  673    HA   VAL 105           HA       VAL 105 -10.948   5.702   3.478
  674    HB   VAL 105           HB       VAL 105  -9.150   7.648   3.257
  675   HG11  VAL 105          1HG1      VAL 105 -10.844   9.385   2.624
  676   HG12  VAL 105          2HG1      VAL 105 -11.502   9.270   4.268
  677   HG13  VAL 105          3HG1      VAL 105  -9.844   9.802   4.015
  678   HG21  VAL 105          3HG2      VAL 105 -10.842   7.415   5.752
  679   HG22  VAL 105          1HG2      VAL 105  -9.572   6.265   5.233
  680   HG23  VAL 105          2HG2      VAL 105  -9.144   7.940   5.614
  681    H    GLY 106           H        GLY 106 -12.482   7.886   1.254
  682    HA2  GLY 106           1HA      GLY 106 -14.789   7.974   0.916
  683    HA3  GLY 106           2HA      GLY 106 -15.092   7.625   2.644
  684    H    GLU 107           H        GLU 107 -12.774   9.953   2.720
  685    HA   GLU 107           HA       GLU 107 -14.587  12.034   3.557
  686    HB3  GLU 107           1HB      GLU 107 -12.341  13.395   3.435
  687    HG3  GLU 107           1HG      GLU 107 -11.433  12.217   5.455
  688    H    GLY 108           H        GLY 108 -12.910  11.359   0.521
  689    HA2  GLY 108           1HA      GLY 108 -13.586  13.814  -0.849
  690    HA3  GLY 108           2HA      GLY 108 -13.070  12.273  -1.583
  Start of MODEL   10
    1    H1   MET   1           H        MET   1  19.754  -2.628  10.403
    2    HA   MET   1           HA       MET   1  18.510  -1.257  12.659
    3    HB3  MET   1           1HB      MET   1  17.031   0.164  11.204
    4    HG3  MET   1           1HG      MET   1  18.691   1.926  10.659
    5    HE1  MET   1           3HE      MET   1  20.122   3.474  13.902
    6    HE2  MET   1           1HE      MET   1  21.007   2.691  12.572
    7    HE3  MET   1           2HE      MET   1  19.617   3.754  12.228
    8    H    LYS   2           H        LYS   2  16.360  -1.865  13.005
    9    HA   LYS   2           HA       LYS   2  15.351  -4.244  11.581
   10    HB3  LYS   2           1HB      LYS   2  13.494  -4.120  13.199
   11    HG3  LYS   2           1HG      LYS   2  14.650  -4.367  15.335
   12    HD3  LYS   2           1HD      LYS   2  16.429  -5.537  13.148
   13    HE3  LYS   2           1HE      LYS   2  15.762  -6.392  16.003
   14    HZ1  LYS   2           3HZ      LYS   2  17.382  -8.139  15.583
   15    HZ2  LYS   2           1HZ      LYS   2  17.577  -7.669  14.033
   16    HZ3  LYS   2           2HZ      LYS   2  16.142  -8.285  14.524
   17    H    THR   3           H        THR   3  13.672  -4.290  10.117
   18    HA   THR   3           HA       THR   3  13.102  -1.767   8.755
   19    HB   THR   3           HB       THR   3  12.028  -3.250   7.050
   20    HG1  THR   3           HG1      THR   3  12.235  -5.433   7.293
   21   HG21  THR   3          3HG2      THR   3  14.872  -4.065   7.834
   22   HG22  THR   3          1HG2      THR   3  14.448  -2.568   6.991
   23   HG23  THR   3          2HG2      THR   3  14.139  -4.128   6.210
   24    H    ARG   4           H        ARG   4  11.149  -0.976   8.153
   25    HA   ARG   4           HA       ARG   4   8.898  -1.344  10.024
   26    HB3  ARG   4           1HB      ARG   4   7.893   0.489   8.552
   27    HG3  ARG   4           1HG      ARG   4   9.047   0.866  10.737
   28    HD3  ARG   4           1HD      ARG   4  11.440   0.513  10.170
   29    HE   ARG   4           HE       ARG   4  11.895   1.354   8.043
   30   HH11  ARG   4          1HH1      ARG   4  10.886   4.067  10.098
   31   HH12  ARG   4          2HH1      ARG   4  11.334   5.241   8.906
   32   HH21  ARG   4          1HH2      ARG   4  12.350   2.868   6.553
   33   HH22  ARG   4          2HH2      ARG   4  12.210   4.576   6.913
   34    H    TYR   5           H        TYR   5   9.764  -2.255   6.912
   35    HA   TYR   5           HA       TYR   5   7.178  -3.213   5.942
   36    HB3  TYR   5           1HB      TYR   5   8.905  -4.582   4.418
   37    HD1  TYR   5           HD2      TYR   5   9.341  -0.854   4.585
   38    HD2  TYR   5           HD1      TYR   5   7.379  -4.198   2.723
   39    HE1  TYR   5           HE2      TYR   5   8.426   0.667   2.805
   40    HE2  TYR   5           HE1      TYR   5   6.435  -2.672   0.973
   41    HH   TYR   5           HH       TYR   5   7.257   0.796   0.842
   42    H    SER   6           H        SER   6   6.652  -5.473   5.458
   43    HA   SER   6           HA       SER   6   7.737  -7.424   7.463
   44    HB3  SER   6           1HB      SER   6   5.382  -8.177   7.745
   45    HG   SER   6           HG       SER   6   4.749  -6.361   9.029
   46    H    ALA   7           H        ALA   7   8.432  -9.281   6.538
   47    HA   ALA   7           HA       ALA   7   7.656 -10.072   3.832
   48    HB1  ALA   7           3HB      ALA   7   9.215 -11.918   4.249
   49    HB2  ALA   7           1HB      ALA   7   9.944 -10.379   4.732
   50    HB3  ALA   7           2HB      ALA   7   9.307 -11.491   5.968
   51    H    GLU   8           H        GLU   8   6.549 -10.835   7.068
   52    HA   GLU   8           HA       GLU   8   5.118 -13.256   6.315
   53    HB3  GLU   8           1HB      GLU   8   4.271 -13.190   8.622
   54    HG3  GLU   8           1HG      GLU   8   7.269 -12.635   8.542
   55    H    ALA   9           H        ALA   9   4.352 -11.194   4.581
   56    HA   ALA   9           HA       ALA   9   1.839  -9.971   5.327
   57    HB1  ALA   9           3HB      ALA   9   1.652  -9.555   2.870
   58    HB2  ALA   9           1HB      ALA   9   3.221  -9.031   3.533
   59    HB3  ALA   9           2HB      ALA   9   3.102 -10.542   2.594
   60    HA   PRO  10           HA       PRO  10  -0.972 -13.354   4.601
   61    HB3  PRO  10           1HB      PRO  10  -2.662 -11.943   5.251
   62    HG3  PRO  10           1HG      PRO  10  -2.723  -9.631   4.504
   63    HD3  PRO  10           1HD      PRO  10  -0.680 -10.026   5.609
   64    H    ALA  11           H        ALA  11  -1.853 -14.706   3.026
   65    HA   ALA  11           HA       ALA  11  -1.205 -14.268   0.160
   66    HB1  ALA  11           3HB      ALA  11  -1.037 -16.536   1.174
   67    HB2  ALA  11           1HB      ALA  11  -2.758 -16.454   1.634
   68    HB3  ALA  11           2HB      ALA  11  -2.306 -16.496  -0.077
   69    H    ARG  12           H        ARG  12  -3.034 -14.308  -1.455
   70    HA   ARG  12           HA       ARG  12  -4.920 -12.262  -0.995
   71    HB3  ARG  12           1HB      ARG  12  -6.110 -13.239  -3.043
   72    HG3  ARG  12           1HG      ARG  12  -4.352 -12.794  -4.662
   73    HD3  ARG  12           1HD      ARG  12  -3.625 -10.559  -4.061
   74    HE   ARG  12           HE       ARG  12  -6.256 -10.617  -2.729
   75   HH11  ARG  12          1HH1      ARG  12  -4.656 -10.415  -5.921
   76   HH12  ARG  12          2HH1      ARG  12  -6.040  -9.671  -6.627
   77   HH21  ARG  12          1HH2      ARG  12  -8.001  -9.755  -3.757
   78   HH22  ARG  12          2HH2      ARG  12  -7.926  -9.358  -5.445
   79    H    ASP  13           H        ASP  13  -5.341 -15.745  -0.524
   80    HA   ASP  13           HA       ASP  13  -8.174 -15.675  -0.027
   81    HB3  ASP  13           1HB      ASP  13  -6.089 -17.667   0.931
   82    H    GLU  14           H        GLU  14  -5.381 -15.144   2.083
   83    HA   GLU  14           HA       GLU  14  -6.876 -15.294   4.613
   84    HB3  GLU  14           1HB      GLU  14  -4.706 -14.430   5.529
   85    HG3  GLU  14           1HG      GLU  14  -4.318 -16.789   3.639
   86    H    LEU  15           H        LEU  15  -5.586 -12.863   2.388
   87    HA   LEU  15           HA       LEU  15  -6.325 -10.475   3.792
   88    HB3  LEU  15           1HB      LEU  15  -5.303 -11.313   1.083
   89    HG   LEU  15           HG       LEU  15  -6.347  -8.532   1.648
   90   HD11  LEU  15          1HD1      LEU  15  -3.868  -8.454   1.334
   91   HD12  LEU  15          2HD1      LEU  15  -4.756  -7.661   0.044
   92   HD13  LEU  15          3HD1      LEU  15  -4.069  -9.283  -0.225
   93   HD21  LEU  15          3HD2      LEU  15  -6.717  -8.787  -0.945
   94   HD22  LEU  15          1HD2      LEU  15  -7.794  -9.688   0.120
   95   HD23  LEU  15          2HD2      LEU  15  -6.438 -10.500  -0.686
   96    H    ASP  16           H        ASP  16  -8.085 -12.532   1.474
   97    HA   ASP  16           HA       ASP  16 -10.256 -10.819   0.878
   98    HB3  ASP  16           1HB      ASP  16 -10.128 -13.839   1.194
   99    H    ARG  17           H        ARG  17  -9.496 -12.370   3.891
  100    HA   ARG  17           HA       ARG  17 -12.191 -12.338   5.003
  101    HB3  ARG  17           1HB      ARG  17 -11.104 -12.976   7.078
  102    HG3  ARG  17           1HG      ARG  17  -9.985 -15.032   6.486
  103    HD3  ARG  17           1HD      ARG  17 -11.413 -16.074   4.809
  104    HE   ARG  17           HE       ARG  17 -12.453 -15.171   7.065
  105   HH11  ARG  17          1HH1      ARG  17 -13.863 -14.849   3.832
  106   HH12  ARG  17          2HH1      ARG  17 -15.489 -14.800   4.450
  107   HH21  ARG  17          1HH2      ARG  17 -14.556 -15.082   7.789
  108   HH22  ARG  17          2HH2      ARG  17 -15.873 -14.943   6.671
  109    H    LEU  18           H        LEU  18  -9.773  -9.884   4.524
  110    HA   LEU  18           HA       LEU  18 -10.467  -8.329   6.874
  111    HB3  LEU  18           1HB      LEU  18  -8.305  -8.192   5.651
  112    HG   LEU  18           HG       LEU  18  -9.310  -7.493   3.312
  113   HD11  LEU  18          1HD1      LEU  18  -9.434  -4.842   4.785
  114   HD12  LEU  18          2HD1      LEU  18 -10.725  -5.632   3.850
  115   HD13  LEU  18          3HD1      LEU  18  -9.324  -4.978   3.025
  116   HD21  LEU  18          3HD2      LEU  18  -6.900  -7.547   3.881
  117   HD22  LEU  18          1HD2      LEU  18  -7.031  -5.962   4.649
  118   HD23  LEU  18          2HD2      LEU  18  -7.274  -6.111   2.902
  119    H    ALA  19           H        ALA  19 -11.443  -6.112   6.809
  120    HA   ALA  19           HA       ALA  19 -13.622  -5.823   4.791
  121    HB1  ALA  19           3HB      ALA  19 -14.012  -5.807   7.815
  122    HB2  ALA  19           1HB      ALA  19 -15.272  -5.501   6.599
  123    HB3  ALA  19           2HB      ALA  19 -14.513  -7.100   6.703
  124    H    GLY  20           H        GLY  20 -11.656  -4.144   7.251
  125    HA2  GLY  20           1HA      GLY  20 -12.938  -1.582   6.753
  126    HA3  GLY  20           2HA      GLY  20 -11.486  -1.878   7.738
  127    HA   PRO  21           HA       PRO  21 -10.413   0.133   3.556
  128    HB3  PRO  21           1HB      PRO  21 -11.293   2.208   3.945
  129    HG3  PRO  21           1HG      PRO  21 -11.675   3.001   6.149
  130    HD3  PRO  21           1HD      PRO  21 -12.714   0.880   6.104
  131    H    THR  22           H        THR  22  -8.608  -0.960   3.170
  132    HA   THR  22           HA       THR  22  -6.183  -0.575   4.903
  133    HB   THR  22           HB       THR  22  -7.107  -3.185   3.632
  134    HG1  THR  22           HG1      THR  22  -8.335  -2.608   5.429
  135   HG21  THR  22          3HG2      THR  22  -5.256  -4.144   5.045
  136   HG22  THR  22          1HG2      THR  22  -4.753  -2.494   5.463
  137   HG23  THR  22          2HG2      THR  22  -4.648  -3.058   3.785
  138    H    LEU  23           H        LEU  23  -4.612   0.348   3.757
  139    HA   LEU  23           HA       LEU  23  -4.464  -0.060   0.829
  140    HB3  LEU  23           1HB      LEU  23  -2.767   1.602   2.730
  141    HG   LEU  23           HG       LEU  23  -1.522   1.210   0.673
  142   HD11  LEU  23          1HD1      LEU  23  -4.169   1.753  -0.585
  143   HD12  LEU  23          2HD1      LEU  23  -2.923   0.561  -0.998
  144   HD13  LEU  23          3HD1      LEU  23  -2.726   2.252  -1.469
  145   HD21  LEU  23          3HD2      LEU  23  -1.395   3.423   1.647
  146   HD22  LEU  23          1HD2      LEU  23  -2.807   3.945   0.684
  147   HD23  LEU  23          2HD2      LEU  23  -1.278   3.513  -0.114
  148    H    VAL  24           H        VAL  24  -3.218  -1.627  -0.022
  149    HA   VAL  24           HA       VAL  24  -1.136  -2.928   1.688
  150    HB   VAL  24           HB       VAL  24  -2.546  -4.041  -0.792
  151   HG11  VAL  24          1HG1      VAL  24  -0.283  -5.002  -0.461
  152   HG12  VAL  24          2HG1      VAL  24  -0.694  -5.401   1.227
  153   HG13  VAL  24          3HG1      VAL  24  -1.545  -6.182  -0.122
  154   HG21  VAL  24          3HG2      VAL  24  -3.713  -5.559   0.795
  155   HG22  VAL  24          1HG2      VAL  24  -3.012  -4.654   2.161
  156   HG23  VAL  24          2HG2      VAL  24  -4.157  -3.875   1.062
  157    H    GLU  25           H        GLU  25   0.844  -2.326   1.316
  158    HA   GLU  25           HA       GLU  25   1.631  -1.111  -1.284
  159    HB3  GLU  25           1HB      GLU  25   2.669  -0.758   1.547
  160    HG3  GLU  25           1HG      GLU  25   3.426   0.781  -0.966
  161    H    PHE  26           H        PHE  26   3.082  -2.100  -2.522
  162    HA   PHE  26           HA       PHE  26   4.705  -4.336  -1.427
  163    HB3  PHE  26           1HB      PHE  26   4.898  -5.132  -3.644
  164    HD1  PHE  26           HD1      PHE  26   2.988  -6.304  -2.111
  165    HD2  PHE  26           HD2      PHE  26   2.262  -3.332  -5.134
  166    HE1  PHE  26           HE1      PHE  26   0.556  -6.872  -2.098
  167    HE2  PHE  26           HE2      PHE  26  -0.110  -3.998  -5.215
  168    HZ   PHE  26           HZ       PHE  26  -0.989  -5.687  -3.623
  169    H    GLY  27           H        GLY  27   6.841  -4.148  -1.215
  170    HA2  GLY  27           1HA      GLY  27   8.676  -2.631  -2.701
  171    HA3  GLY  27           2HA      GLY  27   8.111  -1.586  -1.413
  172    H    THR  28           H        THR  28  10.324  -1.621  -0.678
  173    HA   THR  28           HA       THR  28  10.573  -3.505   1.554
  174    HB   THR  28           HB       THR  28  13.011  -3.743   1.279
  175    HG1  THR  28           HG1      THR  28  13.847  -3.257  -0.844
  176   HG21  THR  28          3HG2      THR  28  11.561  -4.852  -1.158
  177   HG22  THR  28          1HG2      THR  28  11.523  -5.547   0.466
  178   HG23  THR  28          2HG2      THR  28  13.047  -5.463  -0.428
  179    H    ASP  29           H        ASP  29  12.621  -2.553   2.914
  180    HA   ASP  29           HA       ASP  29  11.845   0.267   3.383
  181    HB3  ASP  29           1HB      ASP  29  13.790  -1.300   5.068
  182    H    TRP  30           H        TRP  30  13.998  -1.196   1.398
  183    HA   TRP  30           HA       TRP  30  16.205   0.788   1.786
  184    HB3  TRP  30           1HB      TRP  30  16.913  -1.232   2.726
  185    HD1  TRP  30           HD       TRP  30  15.577  -3.385   3.176
  186    HE1  TRP  30           HE1      TRP  30  15.101  -5.560   1.891
  187    HE3  TRP  30           HE3      TRP  30  17.283  -1.961  -1.434
  188    HZ2  TRP  30           HZ2      TRP  30  15.266  -6.484  -0.848
  189    HZ3  TRP  30           HZ3      TRP  30  17.101  -3.488  -3.351
  190    HH2  TRP  30           HH       TRP  30  16.075  -5.745  -3.095
  191    H    CYS  31           H        CYS  31  14.028  -0.487  -0.653
  192    HA   CYS  31           HA       CYS  31  15.746   0.051  -2.919
  193    HB2  CYS  31           1HB      CYS  31  13.758  -1.405  -3.059
  194    HB3  CYS  31           2HB      CYS  31  12.721  -0.019  -2.678
  195    H    GLY  32           H        GLY  32  15.894   1.829  -4.225
  196    HA2  GLY  32           1HA      GLY  32  15.635   4.466  -3.079
  197    HA3  GLY  32           2HA      GLY  32  16.086   4.089  -4.745
  198    H    HIS  33           H        HIS  33  13.432   2.524  -5.073
  199    HA   HIS  33           HA       HIS  33  11.624   4.725  -5.748
  200    HB2  HIS  33           1HB      HIS  33  10.991   1.778  -5.137
  201    HB3  HIS  33           2HB      HIS  33   9.937   2.941  -5.907
  202    HD1  HIS  33           HD1      HIS  33  12.216   0.235  -6.755
  203    HD2  HIS  33           HD2      HIS  33  10.909   3.844  -8.460
  204    HE1  HIS  33           HE1      HIS  33  12.278  -0.109  -9.307
  205    H    CYS  34           H        CYS  34  11.845   2.396  -3.034
  206    HA   CYS  34           HA       CYS  34   9.590   3.403  -1.596
  207    HB3  CYS  34           1HB      CYS  34  10.951   2.198   0.322
  208    HG   CYS  34           HG       CYS  34   9.817   0.047  -0.110
  209    H    GLN  35           H        GLN  35  13.040   4.344  -1.490
  210    HA   GLN  35           HA       GLN  35  12.761   5.839   0.930
  211    HB3  GLN  35           1HB      GLN  35  14.807   7.040   0.282
  212    HG3  GLN  35           1HG      GLN  35  16.364   5.302  -0.044
  213   HE21  GLN  35          2HE2      GLN  35  14.207   2.708   0.254
  214   HE22  GLN  35          1HE2      GLN  35  14.293   2.594   2.025
  215    H    ALA  36           H        ALA  36  11.765   6.591  -2.280
  216    HA   ALA  36           HA       ALA  36  11.176   9.456  -1.753
  217    HB1  ALA  36           3HB      ALA  36  12.164   8.743  -3.919
  218    HB2  ALA  36           1HB      ALA  36  10.782   7.688  -4.216
  219    HB3  ALA  36           2HB      ALA  36  10.555   9.447  -4.143
  220    H    ALA  37           H        ALA  37   9.421   6.363  -2.239
  221    HA   ALA  37           HA       ALA  37   6.825   7.720  -2.148
  222    HB1  ALA  37           3HB      ALA  37   5.920   5.489  -2.506
  223    HB2  ALA  37           1HB      ALA  37   7.245   5.805  -3.642
  224    HB3  ALA  37           2HB      ALA  37   7.518   4.758  -2.223
  225    H    GLN  38           H        GLN  38   8.818   5.967   0.204
  226    HA   GLN  38           HA       GLN  38   6.795   5.343   2.122
  227    HB3  GLN  38           1HB      GLN  38   8.798   5.578   3.742
  228    HG3  GLN  38           1HG      GLN  38   8.911   3.616   1.398
  229   HE21  GLN  38          2HE2      GLN  38   9.192   2.515   4.694
  230   HE22  GLN  38          1HE2      GLN  38  10.931   2.210   4.635
  231    HA   PRO  39           HA       PRO  39   7.386   9.557   4.278
  232    HB3  PRO  39           1HB      PRO  39   9.462  10.524   4.002
  233    HG3  PRO  39           1HG      PRO  39  10.655  10.313   1.965
  234    HD3  PRO  39           1HD      PRO  39  10.086   8.125   2.615
  235    H    LEU  40           H        LEU  40   6.683   9.167   0.871
  236    HA   LEU  40           HA       LEU  40   4.879  11.404   0.551
  237    HB3  LEU  40           1HB      LEU  40   4.454   8.875  -1.015
  238    HG   LEU  40           HG       LEU  40   4.384  10.105  -2.898
  239   HD11  LEU  40          1HD1      LEU  40   2.839  11.807  -2.616
  240   HD12  LEU  40          2HD1      LEU  40   3.508  12.351  -1.058
  241   HD13  LEU  40          3HD1      LEU  40   2.595  10.846  -1.164
  242   HD21  LEU  40          3HD2      LEU  40   5.953  12.344  -1.566
  243   HD22  LEU  40          1HD2      LEU  40   5.338  12.346  -3.241
  244   HD23  LEU  40          2HD2      LEU  40   6.563  11.161  -2.751
  245    H    LEU  41           H        LEU  41   4.388   7.901   1.070
  246    HA   LEU  41           HA       LEU  41   1.569   8.030   1.560
  247    HB3  LEU  41           1HB      LEU  41   2.183   5.805   2.899
  248    HG   LEU  41           HG       LEU  41   2.250   4.397   1.057
  249   HD11  LEU  41          1HD1      LEU  41   0.415   5.125  -0.345
  250   HD12  LEU  41          2HD1      LEU  41   0.583   6.788   0.243
  251   HD13  LEU  41          3HD1      LEU  41   0.144   5.483   1.363
  252   HD21  LEU  41          3HD2      LEU  41   3.226   6.722  -0.603
  253   HD22  LEU  41          1HD2      LEU  41   2.679   5.170  -1.266
  254   HD23  LEU  41          2HD2      LEU  41   4.082   5.232  -0.199
  255    H    ALA  42           H        ALA  42   4.374   8.070   3.768
  256    HA   ALA  42           HA       ALA  42   2.917   8.127   6.199
  257    HB1  ALA  42           3HB      ALA  42   5.590   9.466   5.567
  258    HB2  ALA  42           1HB      ALA  42   4.986   9.017   7.178
  259    HB3  ALA  42           2HB      ALA  42   5.369   7.744   5.996
  260    H    GLU  43           H        GLU  43   3.772  10.869   4.063
  261    HA   GLU  43           HA       GLU  43   2.651  12.902   5.830
  262    HB3  GLU  43           1HB      GLU  43   2.645  14.250   3.622
  263    HG3  GLU  43           1HG      GLU  43   5.227  14.147   3.489
  264    H    VAL  44           H        VAL  44   1.338  11.157   2.947
  265    HA   VAL  44           HA       VAL  44  -1.188  12.461   2.979
  266    HB   VAL  44           HB       VAL  44  -0.563   9.640   2.036
  267   HG11  VAL  44          1HG1      VAL  44  -2.969  11.381   1.575
  268   HG12  VAL  44          2HG1      VAL  44  -2.513  10.032   0.515
  269   HG13  VAL  44          3HG1      VAL  44  -2.881   9.748   2.230
  270   HG21  VAL  44          3HG2      VAL  44   0.341  10.344   0.255
  271   HG22  VAL  44          1HG2      VAL  44  -0.829  11.667   0.008
  272   HG23  VAL  44          2HG2      VAL  44   0.565  11.906   1.068
  273    H    PHE  45           H        PHE  45  -0.245   9.337   4.480
  274    HA   PHE  45           HA       PHE  45  -2.680   8.707   5.791
  275    HB3  PHE  45           1HB      PHE  45  -0.815   7.593   7.414
  276    HD1  PHE  45           HD2      PHE  45  -2.990   6.275   7.067
  277    HD2  PHE  45           HD1      PHE  45   0.283   6.267   4.232
  278    HE1  PHE  45           HE2      PHE  45  -3.690   4.068   6.199
  279    HE2  PHE  45           HE1      PHE  45  -0.394   4.066   3.462
  280    HZ   PHE  45           HZ       PHE  45  -2.428   2.967   4.397
  281    H    SER  46           H        SER  46  -0.507  11.312   6.480
  282    HA   SER  46           HA       SER  46  -0.957  11.467   9.342
  283    HB3  SER  46           1HB      SER  46  -0.464  13.824   7.503
  284    HG   SER  46           HG       SER  46   0.658  13.301  10.079
  285    H    ASP  47           H        ASP  47  -2.902  12.383   6.529
  286    HA   ASP  47           HA       ASP  47  -4.939  13.775   8.169
  287    HB3  ASP  47           1HB      ASP  47  -5.850  13.789   5.626
  288    H    TYR  48           H        TYR  48  -4.303  10.583   7.071
  289    HA   TYR  48           HA       TYR  48  -7.164   9.802   7.445
  290    HB3  TYR  48           1HB      TYR  48  -7.093   8.332   5.557
  291    HD1  TYR  48           HD2      TYR  48  -8.660  10.420   5.189
  292    HD2  TYR  48           HD1      TYR  48  -4.553  10.238   3.921
  293    HE1  TYR  48           HE2      TYR  48  -9.046  12.344   3.674
  294    HE2  TYR  48           HE1      TYR  48  -4.903  12.251   2.488
  295    HH   TYR  48           HH       TYR  48  -6.384  13.839   1.785
  296    HA   PRO  49           HA       PRO  49  -4.017   7.123   9.847
  297    HB3  PRO  49           1HB      PRO  49  -3.530   8.632  11.519
  298    HG3  PRO  49           1HG      PRO  49  -5.091  10.336  12.143
  299    HD3  PRO  49           1HD      PRO  49  -4.718  10.517   9.815
  300    H    GLU  50           H        GLU  50  -7.529   7.553   9.947
  301    HA   GLU  50           HA       GLU  50  -8.153   5.085  11.237
  302    HB3  GLU  50           1HB      GLU  50  -9.722   6.943  10.986
  303    HG3  GLU  50           1HG      GLU  50  -9.998   6.108   8.059
  304    H    VAL  51           H        VAL  51  -6.769   5.606   8.113
  305    HA   VAL  51           HA       VAL  51  -7.730   3.050   6.956
  306    HB   VAL  51           HB       VAL  51  -5.707   5.066   5.897
  307   HG11  VAL  51          1HG1      VAL  51  -7.024   2.732   4.440
  308   HG12  VAL  51          2HG1      VAL  51  -5.994   3.973   3.713
  309   HG13  VAL  51          3HG1      VAL  51  -5.313   2.855   4.887
  310   HG21  VAL  51          3HG2      VAL  51  -7.952   6.060   5.986
  311   HG22  VAL  51          1HG2      VAL  51  -7.502   5.720   4.312
  312   HG23  VAL  51          2HG2      VAL  51  -8.627   4.644   5.149
  313    H    GLY  52           H        GLY  52  -6.450   1.198   6.857
  314    HA2  GLY  52           1HA      GLY  52  -4.033   1.054   8.592
  315    HA3  GLY  52           2HA      GLY  52  -4.919  -0.308   7.893
  316    H    HIS  53           H        HIS  53  -2.015   0.152   7.823
  317    HA   HIS  53           HA       HIS  53  -1.673   0.150   4.854
  318    HB2  HIS  53           1HB      HIS  53  -0.759   2.212   6.187
  319    HB3  HIS  53           2HB      HIS  53   0.493   1.113   6.720
  320    HD1  HIS  53           HD1      HIS  53   2.292   2.632   5.305
  321    HD2  HIS  53           HD2      HIS  53  -0.771   0.829   3.065
  322    HE1  HIS  53           HE1      HIS  53   2.929   2.863   2.817
  323    H    LEU  54           H        LEU  54  -1.125  -1.879   4.231
  324    HA   LEU  54           HA       LEU  54   0.499  -3.617   6.033
  325    HB3  LEU  54           1HB      LEU  54  -0.892  -4.445   3.475
  326    HG   LEU  54           HG       LEU  54  -1.153  -6.592   4.429
  327   HD11  LEU  54          1HD1      LEU  54   1.137  -6.115   3.538
  328   HD12  LEU  54          2HD1      LEU  54   1.087  -7.429   4.726
  329   HD13  LEU  54          3HD1      LEU  54   1.688  -5.836   5.200
  330   HD21  LEU  54          3HD2      LEU  54  -1.707  -5.939   6.735
  331   HD22  LEU  54          1HD2      LEU  54  -0.003  -5.564   7.069
  332   HD23  LEU  54          2HD2      LEU  54  -0.493  -7.227   6.695
  333    H    LYS  55           H        LYS  55   2.596  -3.297   5.767
  334    HA   LYS  55           HA       LYS  55   3.750  -2.509   3.157
  335    HB3  LYS  55           1HB      LYS  55   5.841  -2.473   4.473
  336    HG3  LYS  55           1HG      LYS  55   4.449  -0.433   4.175
  337    HD3  LYS  55           1HD      LYS  55   2.634  -0.717   5.702
  338    HE3  LYS  55           1HE      LYS  55   4.705  -0.706   7.960
  339    HZ1  LYS  55           3HZ      LYS  55   2.578   0.301   8.560
  340    HZ2  LYS  55           1HZ      LYS  55   2.743  -1.121   9.337
  341    HZ3  LYS  55           2HZ      LYS  55   1.743  -1.012   8.036
  342    H    VAL  56           H        VAL  56   3.680  -4.253   1.824
  343    HA   VAL  56           HA       VAL  56   4.583  -6.953   2.705
  344    HB   VAL  56           HB       VAL  56   3.859  -5.985  -0.099
  345   HG11  VAL  56          1HG1      VAL  56   4.038  -8.819   1.010
  346   HG12  VAL  56          2HG1      VAL  56   3.649  -8.356  -0.661
  347   HG13  VAL  56          3HG1      VAL  56   5.253  -8.059  -0.031
  348   HG21  VAL  56          3HG2      VAL  56   1.686  -7.058   0.157
  349   HG22  VAL  56          1HG2      VAL  56   2.040  -7.439   1.854
  350   HG23  VAL  56          2HG2      VAL  56   1.869  -5.750   1.313
  351    H    GLU  57           H        GLU  57   6.574  -7.420   2.876
  352    HA   GLU  57           HA       GLU  57   8.641  -5.907   1.535
  353    HB3  GLU  57           1HB      GLU  57   9.138  -8.468   3.081
  354    HG3  GLU  57           1HG      GLU  57  10.462  -5.749   2.787
  355    H    ASP  58           H        ASP  58   7.969  -6.208  -0.577
  356    HA   ASP  58           HA       ASP  58   7.443  -8.759  -1.765
  357    HB3  ASP  58           1HB      ASP  58   7.566  -6.101  -3.209
  358    H    GLY  59           H        GLY  59  10.185  -8.430  -0.965
  359    HA2  GLY  59           1HA      GLY  59  11.669  -8.884  -3.548
  360    HA3  GLY  59           2HA      GLY  59  12.419  -8.283  -2.062
  361    HA   PRO  60           HA       PRO  60  13.627 -12.159  -0.798
  362    HB3  PRO  60           1HB      PRO  60  13.861 -12.379   1.534
  363    HG3  PRO  60           1HG      PRO  60  14.428 -10.111   0.974
  364    HD3  PRO  60           1HD      PRO  60  12.875  -8.697  -0.053
  365    H    GLY  61           H        GLY  61  10.110 -11.934   0.010
  366    HA2  GLY  61           1HA      GLY  61   9.404 -14.394  -1.287
  367    HA3  GLY  61           2HA      GLY  61   9.652 -14.698   0.409
  368    H    ARG  62           H        ARG  62   7.254 -15.238  -0.542
  369    HA   ARG  62           HA       ARG  62   5.002 -14.848  -0.587
  370    HB3  ARG  62           1HB      ARG  62   4.038 -13.745   1.412
  371    HG3  ARG  62           1HG      ARG  62   6.331 -15.663   2.015
  372    HD3  ARG  62           1HD      ARG  62   5.346 -14.620   4.051
  373    HE   ARG  62           HE       ARG  62   3.057 -14.254   3.789
  374   HH11  ARG  62          1HH1      ARG  62   3.595 -17.738   3.372
  375   HH12  ARG  62          2HH1      ARG  62   1.897 -18.081   3.526
  376   HH21  ARG  62          1HH2      ARG  62   1.005 -14.739   3.962
  377   HH22  ARG  62          2HH2      ARG  62   0.388 -16.366   3.901
  378    H    ARG  63           H        ARG  63   6.111 -13.465  -2.493
  379    HA   ARG  63           HA       ARG  63   5.832 -10.616  -2.449
  380    HB3  ARG  63           1HB      ARG  63   6.383 -10.841  -4.899
  381    HG3  ARG  63           1HG      ARG  63   8.188 -12.332  -2.925
  382    HD3  ARG  63           1HD      ARG  63   9.976 -11.383  -4.526
  383    HE   ARG  63           HE       ARG  63   8.474 -13.463  -5.969
  384   HH11  ARG  63          1HH1      ARG  63  10.994 -12.861  -3.529
  385   HH12  ARG  63          2HH1      ARG  63  11.432 -14.540  -3.459
  386   HH21  ARG  63          1HH2      ARG  63   9.140 -15.600  -5.829
  387   HH22  ARG  63          2HH2      ARG  63  10.462 -16.035  -4.796
  388    H    LEU  64           H        LEU  64   3.650 -10.419  -1.772
  389    HA   LEU  64           HA       LEU  64   1.336 -11.357  -3.048
  390    HB3  LEU  64           1HB      LEU  64   1.662  -8.796  -1.473
  391    HG   LEU  64           HG       LEU  64  -0.625  -9.150  -2.242
  392   HD11  LEU  64          1HD1      LEU  64  -0.862 -11.476  -2.667
  393   HD12  LEU  64          2HD1      LEU  64  -1.926 -11.156  -1.297
  394   HD13  LEU  64          3HD1      LEU  64  -0.340 -11.920  -1.028
  395   HD21  LEU  64          3HD2      LEU  64  -1.714  -9.185   0.007
  396   HD22  LEU  64          1HD2      LEU  64  -0.266  -8.176  -0.038
  397   HD23  LEU  64          2HD2      LEU  64  -0.192  -9.779   0.706
  398    H    GLY  65           H        GLY  65   3.295  -8.546  -4.019
  399    HA2  GLY  65           1HA      GLY  65   1.326  -7.277  -5.671
  400    HA3  GLY  65           2HA      GLY  65   3.090  -7.132  -5.836
  401    H    ARG  66           H        ARG  66   3.234 -10.163  -6.296
  402    HA   ARG  66           HA       ARG  66   2.790 -10.293  -9.153
  403    HB3  ARG  66           1HB      ARG  66   3.176 -12.538  -7.125
  404    HG3  ARG  66           1HG      ARG  66   3.642 -12.413 -10.142
  405    HD3  ARG  66           1HD      ARG  66   4.149 -14.867  -9.863
  406    HE   ARG  66           HE       ARG  66   5.944 -12.746  -9.373
  407   HH11  ARG  66          1HH1      ARG  66   5.812 -16.255  -8.897
  408   HH12  ARG  66          2HH1      ARG  66   7.532 -16.433  -9.044
  409   HH21  ARG  66          1HH2      ARG  66   8.165 -13.051  -9.527
  410   HH22  ARG  66          2HH2      ARG  66   8.842 -14.639  -9.384
  411    H    SER  67           H        SER  67   0.884 -11.379  -6.306
  412    HA   SER  67           HA       SER  67  -1.267 -12.522  -7.932
  413    HB3  SER  67           1HB      SER  67  -2.218 -13.150  -5.801
  414    HG   SER  67           HG       SER  67  -0.392 -14.411  -6.200
  415    H    PHE  68           H        PHE  68  -0.535  -9.352  -6.917
  416    HA   PHE  68           HA       PHE  68  -3.314  -8.454  -7.527
  417    HB3  PHE  68           1HB      PHE  68  -2.165  -6.144  -7.142
  418    HD1  PHE  68           HD2      PHE  68  -1.306  -8.309  -4.309
  419    HD2  PHE  68           HD1      PHE  68  -4.355  -5.927  -6.152
  420    HE1  PHE  68           HE2      PHE  68  -2.628  -8.419  -2.212
  421    HE2  PHE  68           HE1      PHE  68  -5.694  -5.996  -4.061
  422    HZ   PHE  68           HZ       PHE  68  -4.851  -7.250  -2.091
  423    H    GLN  69           H        GLN  69  -0.619  -9.407  -9.242
  424    HA   GLN  69           HA       GLN  69   0.211  -9.055 -11.330
  425    HB3  GLN  69           1HB      GLN  69  -1.472  -8.682 -13.066
  426    HG3  GLN  69           1HG      GLN  69  -1.148 -10.935 -11.996
  427   HE21  GLN  69          2HE2      GLN  69  -4.052  -9.265 -10.557
  428   HE22  GLN  69          1HE2      GLN  69  -4.225 -10.501  -9.313
  429    H    VAL  70           H        VAL  70   0.952  -7.139  -9.692
  430    HA   VAL  70           HA       VAL  70   0.309  -4.459 -10.147
  431    HB   VAL  70           HB       VAL  70   2.684  -5.924  -8.996
  432   HG11  VAL  70          1HG1      VAL  70   3.820  -3.952  -9.827
  433   HG12  VAL  70          2HG1      VAL  70   2.523  -2.910  -9.224
  434   HG13  VAL  70          3HG1      VAL  70   3.577  -3.790  -8.081
  435   HG21  VAL  70          3HG2      VAL  70   0.457  -5.727  -7.799
  436   HG22  VAL  70          1HG2      VAL  70   1.836  -5.068  -6.921
  437   HG23  VAL  70          2HG2      VAL  70   0.708  -3.970  -7.744
  438    H    LYS  71           H        LYS  71   1.077  -2.751 -11.292
  439    HA   LYS  71           HA       LYS  71   2.126  -3.280 -13.955
  440    HB3  LYS  71           1HB      LYS  71   2.055  -0.657 -13.941
  441    HG3  LYS  71           1HG      LYS  71   0.317  -1.989 -15.108
  442    HD3  LYS  71           1HD      LYS  71  -2.006  -1.717 -13.843
  443    HE3  LYS  71           1HE      LYS  71  -1.742  -4.060 -12.807
  444    HZ1  LYS  71           3HZ      LYS  71  -1.532  -5.128 -14.959
  445    HZ2  LYS  71           1HZ      LYS  71  -0.979  -3.769 -15.661
  446    HZ3  LYS  71           2HZ      LYS  71  -2.509  -3.821 -15.084
  447    H    LEU  72           H        LEU  72   3.337  -1.083 -11.382
  448    HA   LEU  72           HA       LEU  72   6.145  -1.745 -12.130
  449    HB3  LEU  72           1HB      LEU  72   5.215   0.959 -11.084
  450    HG   LEU  72           HG       LEU  72   7.724   0.287 -10.977
  451   HD11  LEU  72          1HD1      LEU  72   8.980   0.592 -13.059
  452   HD12  LEU  72          2HD1      LEU  72   7.456   0.757 -13.972
  453   HD13  LEU  72          3HD1      LEU  72   7.878  -0.785 -13.195
  454   HD21  LEU  72          3HD2      LEU  72   6.889   2.780 -12.499
  455   HD22  LEU  72          1HD2      LEU  72   8.440   2.550 -11.659
  456   HD23  LEU  72          2HD2      LEU  72   6.941   2.610 -10.726
  457    H    TRP  73           H        TRP  73   7.490  -2.119 -10.325
  458    HA   TRP  73           HA       TRP  73   6.286  -3.472  -8.262
  459    HB3  TRP  73           1HB      TRP  73   8.969  -2.115  -8.155
  460    HD1  TRP  73           HD       TRP  73   7.698  -5.720  -7.401
  461    HE1  TRP  73           HE1      TRP  73   8.663  -6.444  -5.135
  462    HE3  TRP  73           HE3      TRP  73   9.934  -1.330  -6.106
  463    HZ2  TRP  73           HZ2      TRP  73  10.590  -5.343  -3.212
  464    HZ3  TRP  73           HZ3      TRP  73  11.294  -1.168  -4.050
  465    HH2  TRP  73           HH       TRP  73  11.733  -3.182  -2.664
  466    HA   PRO  74           HA       PRO  74   6.338   0.029  -5.104
  467    HB3  PRO  74           1HB      PRO  74   8.104   1.488  -5.462
  468    HG3  PRO  74           1HG      PRO  74   8.547   2.369  -7.664
  469    HD3  PRO  74           1HD      PRO  74   8.703   0.032  -7.810
  470    H    THR  75           H        THR  75   4.234  -0.890  -5.723
  471    HA   THR  75           HA       THR  75   2.164   1.147  -6.491
  472    HB   THR  75           HB       THR  75   2.271  -1.871  -7.015
  473    HG1  THR  75           HG1      THR  75   3.179  -0.677  -8.622
  474   HG21  THR  75          3HG2      THR  75  -0.045  -1.452  -6.344
  475   HG22  THR  75          1HG2      THR  75   0.027  -1.588  -8.098
  476   HG23  THR  75          2HG2      THR  75  -0.106   0.008  -7.355
  477    H    PHE  76           H        PHE  76   0.390   1.219  -5.219
  478    HA   PHE  76           HA       PHE  76   0.167  -0.681  -2.991
  479    HB3  PHE  76           1HB      PHE  76   0.975   0.983  -1.649
  480    HD1  PHE  76           HD1      PHE  76   2.699   2.042  -3.107
  481    HD2  PHE  76           HD2      PHE  76  -1.311   3.581  -2.628
  482    HE1  PHE  76           HE1      PHE  76   3.437   4.232  -4.009
  483    HE2  PHE  76           HE2      PHE  76  -0.541   5.782  -3.459
  484    HZ   PHE  76           HZ       PHE  76   1.794   6.060  -4.252
  485    H    VAL  77           H        VAL  77  -1.739  -1.530  -2.817
  486    HA   VAL  77           HA       VAL  77  -3.959  -0.613  -4.601
  487    HB   VAL  77           HB       VAL  77  -3.545  -3.352  -3.396
  488   HG11  VAL  77          1HG1      VAL  77  -5.921  -2.723  -4.020
  489   HG12  VAL  77          2HG1      VAL  77  -5.370  -2.408  -5.661
  490   HG13  VAL  77          3HG1      VAL  77  -5.278  -4.033  -5.003
  491   HG21  VAL  77          3HG2      VAL  77  -2.987  -2.401  -6.240
  492   HG22  VAL  77          1HG2      VAL  77  -1.759  -2.757  -5.031
  493   HG23  VAL  77          2HG2      VAL  77  -2.801  -4.050  -5.625
  494    H    PHE  78           H        PHE  78  -5.712   0.226  -3.729
  495    HA   PHE  78           HA       PHE  78  -6.050   0.300  -0.785
  496    HB3  PHE  78           1HB      PHE  78  -7.904   1.859  -1.296
  497    HD1  PHE  78           HD2      PHE  78  -5.267   2.385  -3.896
  498    HD2  PHE  78           HD1      PHE  78  -6.677   3.487   0.034
  499    HE1  PHE  78           HE2      PHE  78  -3.512   4.109  -3.736
  500    HE2  PHE  78           HE1      PHE  78  -4.988   5.280   0.111
  501    HZ   PHE  78           HZ       PHE  78  -3.419   5.614  -1.811
  502    H    LEU  79           H        LEU  79  -7.143  -1.259   0.195
  503    HA   LEU  79           HA       LEU  79  -9.272  -2.731  -1.258
  504    HB3  LEU  79           1HB      LEU  79  -8.996  -4.316   0.784
  505    HG   LEU  79           HG       LEU  79  -8.410  -4.995  -1.461
  506   HD11  LEU  79          1HD1      LEU  79  -5.980  -4.861  -2.162
  507   HD12  LEU  79          2HD1      LEU  79  -5.745  -3.671  -0.872
  508   HD13  LEU  79          3HD1      LEU  79  -6.887  -3.344  -2.209
  509   HD21  LEU  79          3HD2      LEU  79  -7.994  -6.478   0.416
  510   HD22  LEU  79          1HD2      LEU  79  -6.380  -5.758   0.662
  511   HD23  LEU  79          2HD2      LEU  79  -6.751  -6.658  -0.833
  512    H    ARG  80           H        ARG  80 -11.148  -3.168  -0.219
  513    HA   ARG  80           HA       ARG  80 -11.859  -2.309   2.415
  514    HB3  ARG  80           1HB      ARG  80 -13.439  -0.778   0.331
  515    HG3  ARG  80           1HG      ARG  80 -12.849  -0.396   3.296
  516    HD3  ARG  80           1HD      ARG  80 -14.359   1.464   1.421
  517    HE   ARG  80           HE       ARG  80 -14.852   1.172   4.067
  518   HH11  ARG  80          1HH1      ARG  80 -13.231   3.884   2.377
  519   HH12  ARG  80          2HH1      ARG  80 -13.772   5.007   3.581
  520   HH21  ARG  80          1HH2      ARG  80 -15.471   2.728   5.539
  521   HH22  ARG  80          2HH2      ARG  80 -14.973   4.376   5.339
  522    H    ASP  81           H        ASP  81 -13.614  -3.432   3.098
  523    HA   ASP  81           HA       ASP  81 -15.108  -5.130   3.206
  524    HB3  ASP  81           1HB      ASP  81 -15.854  -4.609   0.300
  525    H    GLY  82           H        GLY  82 -12.329  -5.587   2.161
  526    HA2  GLY  82           1HA      GLY  82 -11.096  -7.554   1.894
  527    HA3  GLY  82           2HA      GLY  82 -12.578  -8.439   1.498
  528    H    ARG  83           H        ARG  83 -12.792  -5.889  -0.541
  529    HA   ARG  83           HA       ARG  83 -11.399  -7.259  -2.772
  530    HB3  ARG  83           1HB      ARG  83 -13.562  -5.169  -3.086
  531    HG3  ARG  83           1HG      ARG  83 -13.280  -7.811  -4.552
  532    HD3  ARG  83           1HD      ARG  83 -15.279  -6.229  -4.877
  533    HE   ARG  83           HE       ARG  83 -13.123  -4.401  -5.535
  534   HH11  ARG  83          1HH1      ARG  83 -16.462  -5.052  -6.522
  535   HH12  ARG  83          2HH1      ARG  83 -16.683  -3.428  -7.091
  536   HH21  ARG  83          1HH2      ARG  83 -13.434  -2.429  -6.254
  537   HH22  ARG  83          2HH2      ARG  83 -14.966  -1.924  -6.939
  538    H    GLU  84           H        GLU  84 -10.342  -5.936  -4.289
  539    HA   GLU  84           HA       GLU  84  -9.071  -3.439  -3.480
  540    HB3  GLU  84           1HB      GLU  84  -9.308  -4.946  -6.104
  541    HG3  GLU  84           1HG      GLU  84  -7.891  -2.307  -5.630
  542    H    VAL  85           H        VAL  85  -9.890  -1.461  -3.508
  543    HA   VAL  85           HA       VAL  85 -12.369  -0.848  -5.090
  544    HB   VAL  85           HB       VAL  85 -12.467   1.240  -3.700
  545   HG11  VAL  85          1HG1      VAL  85 -12.637  -1.392  -2.190
  546   HG12  VAL  85          2HG1      VAL  85 -13.495   0.117  -1.804
  547   HG13  VAL  85          3HG1      VAL  85 -13.882  -0.753  -3.297
  548   HG21  VAL  85          3HG2      VAL  85 -10.045   1.164  -2.856
  549   HG22  VAL  85          1HG2      VAL  85 -11.278   1.395  -1.603
  550   HG23  VAL  85          2HG2      VAL  85 -10.539  -0.192  -1.815
  551    H    ALA  86           H        ALA  86  -8.958  -0.206  -4.865
  552    HA   ALA  86           HA       ALA  86  -8.767   1.139  -7.395
  553    HB1  ALA  86           3HB      ALA  86  -8.428   2.775  -4.832
  554    HB2  ALA  86           1HB      ALA  86  -7.933   3.338  -6.432
  555    HB3  ALA  86           2HB      ALA  86  -9.649   3.067  -6.099
  556    H    ARG  87           H        ARG  87  -6.451   2.096  -7.582
  557    HA   ARG  87           HA       ARG  87  -4.560   1.384  -5.534
  558    HB3  ARG  87           1HB      ARG  87  -4.612  -0.744  -6.698
  559    HG3  ARG  87           1HG      ARG  87  -3.626   0.797  -9.132
  560    HD3  ARG  87           1HD      ARG  87  -2.450  -1.328  -8.415
  561    HE   ARG  87           HE       ARG  87  -5.087  -2.453  -8.519
  562   HH11  ARG  87          1HH1      ARG  87  -1.852  -3.312  -9.711
  563   HH12  ARG  87          2HH1      ARG  87  -2.253  -5.015  -9.746
  564   HH21  ARG  87          1HH2      ARG  87  -5.443  -4.632  -8.460
  565   HH22  ARG  87          2HH2      ARG  87  -4.211  -5.738  -9.067
  566    H    VAL  88           H        VAL  88  -2.542   2.359  -5.822
  567    HA   VAL  88           HA       VAL  88  -2.311   4.449  -7.983
  568    HB   VAL  88           HB       VAL  88  -1.668   4.673  -5.049
  569   HG11  VAL  88          1HG1      VAL  88   0.156   5.823  -6.311
  570   HG12  VAL  88          2HG1      VAL  88  -1.058   6.666  -7.299
  571   HG13  VAL  88          3HG1      VAL  88  -0.890   7.037  -5.568
  572   HG21  VAL  88          3HG2      VAL  88  -3.165   6.468  -4.862
  573   HG22  VAL  88          1HG2      VAL  88  -3.480   6.508  -6.623
  574   HG23  VAL  88          2HG2      VAL  88  -4.047   5.148  -5.631
  575    H    VAL  89           H        VAL  89  -0.299   4.580  -8.895
  576    HA   VAL  89           HA       VAL  89   1.896   2.845  -7.904
  577    HB   VAL  89           HB       VAL  89   0.793   1.453  -9.497
  578   HG11  VAL  89          1HG1      VAL  89   0.360   2.045 -11.843
  579   HG12  VAL  89          2HG1      VAL  89  -0.602   2.999 -10.721
  580   HG13  VAL  89          3HG1      VAL  89   0.817   3.722 -11.518
  581   HG21  VAL  89          3HG2      VAL  89   2.519   1.030 -11.120
  582   HG22  VAL  89          1HG2      VAL  89   3.092   2.703 -11.069
  583   HG23  VAL  89          2HG2      VAL  89   3.338   1.637  -9.671
  584    H    ARG  90           H        ARG  90   3.900   3.637  -8.218
  585    HA   ARG  90           HA       ARG  90   5.561   5.166  -8.551
  586    HB3  ARG  90           1HB      ARG  90   4.194   5.773 -11.194
  587    HG3  ARG  90           1HG      ARG  90   7.135   5.464 -10.440
  588    HD3  ARG  90           1HD      ARG  90   5.821   6.597 -12.950
  589    HE   ARG  90           HE       ARG  90   8.495   6.791 -11.992
  590   HH11  ARG  90          1HH1      ARG  90   6.833   5.990 -15.007
  591   HH12  ARG  90          2HH1      ARG  90   8.187   6.486 -15.987
  592   HH21  ARG  90          1HH2      ARG  90  10.217   7.377 -13.312
  593   HH22  ARG  90          2HH2      ARG  90  10.064   7.262 -15.042
  594    HA   PRO  91           HA       PRO  91   2.423   8.504  -7.120
  595    HB3  PRO  91           1HB      PRO  91   2.464   7.960  -4.977
  596    HG3  PRO  91           1HG      PRO  91   4.251   6.655  -4.072
  597    HD3  PRO  91           1HD      PRO  91   3.604   5.539  -6.066
  598    H    GLY  92           H        GLY  92   2.645  10.478  -8.064
  599    HA2  GLY  92           1HA      GLY  92   5.260  11.559  -8.817
  600    HA3  GLY  92           2HA      GLY  92   3.649  12.205  -9.226
  601    H    SER  93           H        SER  93   2.683  12.449  -6.524
  602    HA   SER  93           HA       SER  93   4.385  14.093  -4.877
  603    HB3  SER  93           1HB      SER  93   3.968  15.681  -6.742
  604    HG   SER  93           HG       SER  93   1.856  16.334  -7.186
  605    H    ALA  94           H        ALA  94   3.136  14.890  -2.956
  606    HA   ALA  94           HA       ALA  94   1.082  13.165  -1.983
  607    HB1  ALA  94           3HB      ALA  94   2.547  14.556  -0.560
  608    HB2  ALA  94           1HB      ALA  94   1.758  16.029  -1.174
  609    HB3  ALA  94           2HB      ALA  94   0.837  14.846  -0.219
  610    H    SER  95           H        SER  95   0.825  16.169  -3.957
  611    HA   SER  95           HA       SER  95  -1.989  16.455  -3.776
  612    HB3  SER  95           1HB      SER  95  -1.815  17.778  -5.808
  613    HG   SER  95           HG       SER  95  -0.057  19.152  -5.206
  614    H    VAL  96           H        VAL  96  -0.165  14.042  -5.567
  615    HA   VAL  96           HA       VAL  96  -2.587  13.128  -7.075
  616    HB   VAL  96           HB       VAL  96   0.321  12.222  -7.102
  617   HG11  VAL  96          1HG1      VAL  96  -2.018  11.142  -8.739
  618   HG12  VAL  96          2HG1      VAL  96  -0.294  10.797  -9.030
  619   HG13  VAL  96          3HG1      VAL  96  -1.062  10.251  -7.540
  620   HG21  VAL  96          3HG2      VAL  96  -1.373  13.618  -9.233
  621   HG22  VAL  96          1HG2      VAL  96  -0.096  14.376  -8.266
  622   HG23  VAL  96          2HG2      VAL  96   0.315  13.099  -9.414
  623    H    LEU  97           H        LEU  97  -0.349  12.025  -4.487
  624    HA   LEU  97           HA       LEU  97  -1.704   9.505  -4.110
  625    HB3  LEU  97           1HB      LEU  97  -0.214  10.570  -1.826
  626    HG   LEU  97           HG       LEU  97   0.329   8.291  -3.794
  627   HD11  LEU  97          1HD1      LEU  97   2.393   9.011  -2.686
  628   HD12  LEU  97          2HD1      LEU  97   1.886   7.389  -2.214
  629   HD13  LEU  97          3HD1      LEU  97   1.633   8.743  -1.087
  630   HD21  LEU  97          3HD2      LEU  97  -0.433   6.945  -1.706
  631   HD22  LEU  97          1HD2      LEU  97  -1.703   7.835  -2.538
  632   HD23  LEU  97          2HD2      LEU  97  -0.987   8.478  -1.025
  633    H    GLU  98           H        GLU  98  -1.930  12.595  -2.290
  634    HA   GLU  98           HA       GLU  98  -3.878  11.702  -0.395
  635    HB3  GLU  98           1HB      GLU  98  -4.442  14.042  -0.092
  636    HG3  GLU  98           1HG      GLU  98  -1.431  13.773  -0.145
  637    H    GLU  99           H        GLU  99  -4.236  13.060  -3.682
  638    HA   GLU  99           HA       GLU  99  -7.037  13.467  -3.733
  639    HB3  GLU  99           1HB      GLU  99  -4.991  12.804  -5.879
  640    HG3  GLU  99           1HG      GLU  99  -7.942  13.339  -6.216
  641    H    ALA 100           H        ALA 100  -5.122  10.515  -4.299
  642    HA   ALA 100           HA       ALA 100  -7.502   8.905  -4.914
  643    HB1  ALA 100           3HB      ALA 100  -4.639   8.130  -4.194
  644    HB2  ALA 100           1HB      ALA 100  -5.897   7.020  -4.802
  645    HB3  ALA 100           2HB      ALA 100  -5.291   8.345  -5.831
  646    H    PHE 101           H        PHE 101  -5.462   9.498  -1.983
  647    HA   PHE 101           HA       PHE 101  -6.676   7.536  -0.335
  648    HB3  PHE 101           1HB      PHE 101  -6.087   9.537   1.409
  649    HD1  PHE 101           HD1      PHE 101  -3.583   7.944  -1.008
  650    HD2  PHE 101           HD2      PHE 101  -5.338   7.991   2.966
  651    HE1  PHE 101           HE1      PHE 101  -1.904   6.380  -0.209
  652    HE2  PHE 101           HE2      PHE 101  -3.563   6.452   3.739
  653    HZ   PHE 101           HZ       PHE 101  -1.808   5.698   2.096
  654    H    GLU 102           H        GLU 102  -7.546  11.008  -0.666
  655    HA   GLU 102           HA       GLU 102  -9.805  10.888   1.059
  656    HB3  GLU 102           1HB      GLU 102  -8.955  13.017   0.506
  657    HG3  GLU 102           1HG      GLU 102  -8.769  12.210  -2.194
  658    H    SER 103           H        SER 103  -9.531  10.022  -2.362
  659    HA   SER 103           HA       SER 103 -12.365   9.800  -2.820
  660    HB3  SER 103           1HB      SER 103 -10.112   8.340  -4.261
  661    HG   SER 103           HG       SER 103 -11.619   8.561  -6.023
  662    H    LEU 104           H        LEU 104  -9.937   7.560  -1.481
  663    HA   LEU 104           HA       LEU 104 -11.932   5.321  -1.503
  664    HB3  LEU 104           1HB      LEU 104  -9.951   3.969  -0.707
  665    HG   LEU 104           HG       LEU 104  -9.099   3.486  -2.738
  666   HD11  LEU 104          1HD1      LEU 104 -11.538   4.988  -3.723
  667   HD12  LEU 104          2HD1      LEU 104 -11.640   3.478  -2.773
  668   HD13  LEU 104          3HD1      LEU 104 -10.849   3.480  -4.353
  669   HD21  LEU 104          3HD2      LEU 104  -7.935   5.588  -3.185
  670   HD22  LEU 104          1HD2      LEU 104  -9.482   6.307  -3.749
  671   HD23  LEU 104          2HD2      LEU 104  -8.740   4.995  -4.639
  672    H    VAL 105           H        VAL 105 -10.412   7.475   0.782
  673    HA   VAL 105           HA       VAL 105 -11.324   6.063   3.128
  674    HB   VAL 105           HB       VAL 105  -9.578   8.055   2.820
  675   HG11  VAL 105          1HG1      VAL 105 -11.314   9.744   2.180
  676   HG12  VAL 105          2HG1      VAL 105 -11.972   9.631   3.821
  677   HG13  VAL 105          3HG1      VAL 105 -10.323  10.205   3.570
  678   HG21  VAL 105          3HG2      VAL 105  -9.566   8.347   5.169
  679   HG22  VAL 105          1HG2      VAL 105 -11.270   7.821   5.320
  680   HG23  VAL 105          2HG2      VAL 105 -10.012   6.669   4.821
  681    H    GLY 106           H        GLY 106 -12.849   8.236   0.860
  682    HA2  GLY 106           1HA      GLY 106 -15.171   8.269   0.487
  683    HA3  GLY 106           2HA      GLY 106 -15.488   7.981   2.223
  684    H    GLU 107           H        GLU 107 -13.133  10.290   2.189
  685    HA   GLU 107           HA       GLU 107 -14.902  12.465   2.879
  686    HB3  GLU 107           1HB      GLU 107 -12.622  13.758   2.729
  687    HG3  GLU 107           1HG      GLU 107 -11.775  12.673   4.837
  688    H    GLY 108           H        GLY 108 -13.441  11.470  -0.141
  689    HA2  GLY 108           1HA      GLY 108 -14.163  13.951  -1.568
  690    HA3  GLY 108           2HA      GLY 108 -13.415  12.485  -2.237
  Start of MODEL   11
    1    H1   MET   1           H        MET   1   3.515   5.093   5.602
    2    HA   MET   1           HA       MET   1   4.092   6.716   7.833
    3    HB3  MET   1           1HB      MET   1   3.959   5.128   9.701
    4    HG3  MET   1           1HG      MET   1   1.255   5.369   8.310
    5    HE1  MET   1           3HE      MET   1  -1.004   5.606  11.460
    6    HE2  MET   1           1HE      MET   1  -0.291   6.881  10.451
    7    HE3  MET   1           2HE      MET   1  -0.969   5.423   9.691
    8    H    LYS   2           H        LYS   2   6.258   6.587   8.342
    9    HA   LYS   2           HA       LYS   2   7.833   5.285   6.328
   10    HB3  LYS   2           1HB      LYS   2   8.231   7.571   7.080
   11    HG3  LYS   2           1HG      LYS   2   9.199   6.307   9.695
   12    HD3  LYS   2           1HD      LYS   2  10.652   8.188   8.962
   13    HE3  LYS   2           1HE      LYS   2   8.053   9.787   9.109
   14    HZ1  LYS   2           3HZ      LYS   2  10.837  10.728   8.666
   15    HZ2  LYS   2           1HZ      LYS   2   9.956  11.001  10.023
   16    HZ3  LYS   2           2HZ      LYS   2   9.493  11.668   8.615
   17    H    THR   3           H        THR   3   6.832   3.764   9.063
   18    HA   THR   3           HA       THR   3   9.201   2.545  10.116
   19    HB   THR   3           HB       THR   3   7.532   0.854  11.050
   20    HG1  THR   3           HG1      THR   3   5.341   1.520  10.803
   21   HG21  THR   3          3HG2      THR   3   6.563   2.423  12.617
   22   HG22  THR   3          1HG2      THR   3   6.879   3.796  11.535
   23   HG23  THR   3          2HG2      THR   3   8.231   2.914  12.269
   24    H    ARG   4           H        ARG   4   9.662   0.209  10.118
   25    HA   ARG   4           HA       ARG   4  10.448  -0.483   7.513
   26    HB3  ARG   4           1HB      ARG   4  11.674  -1.017   9.604
   27    HG3  ARG   4           1HG      ARG   4  11.371  -3.156  10.695
   28    HD3  ARG   4           1HD      ARG   4   9.334  -2.950  12.006
   29    HE   ARG   4           HE       ARG   4  11.225  -0.921  11.890
   30   HH11  ARG   4          1HH1      ARG   4   7.865  -1.202  12.981
   31   HH12  ARG   4          2HH1      ARG   4   8.056   0.061  14.160
   32   HH21  ARG   4          1HH2      ARG   4  11.383   0.742  13.387
   33   HH22  ARG   4          2HH2      ARG   4  10.010   1.138  14.379
   34    H    TYR   5           H        TYR   5  10.063  -2.101   6.124
   35    HA   TYR   5           HA       TYR   5   7.457  -3.195   5.751
   36    HB3  TYR   5           1HB      TYR   5   8.913  -4.691   4.100
   37    HD1  TYR   5           HD2      TYR   5   9.563  -0.973   4.249
   38    HD2  TYR   5           HD1      TYR   5   7.415  -4.237   2.451
   39    HE1  TYR   5           HE2      TYR   5   8.618   0.591   2.564
   40    HE2  TYR   5           HE1      TYR   5   6.482  -2.669   0.731
   41    HH   TYR   5           HH       TYR   5   7.413   0.800   0.630
   42    H    SER   6           H        SER   6   6.825  -5.451   5.517
   43    HA   SER   6           HA       SER   6   8.287  -7.283   7.365
   44    HB3  SER   6           1HB      SER   6   5.277  -6.969   7.166
   45    HG   SER   6           HG       SER   6   5.468  -8.290   9.140
   46    H    ALA   7           H        ALA   7   8.551  -9.338   6.793
   47    HA   ALA   7           HA       ALA   7   7.677 -10.335   4.170
   48    HB1  ALA   7           3HB      ALA   7   9.928 -10.809   5.089
   49    HB2  ALA   7           1HB      ALA   7   9.201 -11.610   6.500
   50    HB3  ALA   7           2HB      ALA   7   9.018 -12.312   4.884
   51    H    GLU   8           H        GLU   8   6.255 -10.284   7.297
   52    HA   GLU   8           HA       GLU   8   4.999 -12.919   7.130
   53    HB3  GLU   8           1HB      GLU   8   4.135 -12.395   9.366
   54    HG3  GLU   8           1HG      GLU   8   7.076 -11.627   9.134
   55    H    ALA   9           H        ALA   9   4.171 -11.337   4.996
   56    HA   ALA   9           HA       ALA   9   1.590 -10.127   5.470
   57    HB1  ALA   9           3HB      ALA   9   3.014  -9.429   3.607
   58    HB2  ALA   9           1HB      ALA   9   2.930 -11.060   2.898
   59    HB3  ALA   9           2HB      ALA   9   1.459 -10.071   2.996
   60    HA   PRO  10           HA       PRO  10  -1.110 -13.676   5.195
   61    HB3  PRO  10           1HB      PRO  10  -2.815 -12.167   5.718
   62    HG3  PRO  10           1HG      PRO  10  -2.936 -10.008   4.625
   63    HD3  PRO  10           1HD      PRO  10  -0.886 -10.230   5.774
   64    H    ALA  11           H        ALA  11  -2.246 -15.059   3.700
   65    HA   ALA  11           HA       ALA  11  -1.347 -15.039   0.880
   66    HB1  ALA  11           3HB      ALA  11  -1.611 -17.191   2.111
   67    HB2  ALA  11           1HB      ALA  11  -3.322 -16.836   2.396
   68    HB3  ALA  11           2HB      ALA  11  -2.729 -17.103   0.737
   69    H    ARG  12           H        ARG  12  -2.867 -14.732  -0.901
   70    HA   ARG  12           HA       ARG  12  -4.499 -12.470  -0.496
   71    HB3  ARG  12           1HB      ARG  12  -5.105 -14.075  -2.936
   72    HG3  ARG  12           1HG      ARG  12  -4.478 -12.045  -4.100
   73    HD3  ARG  12           1HD      ARG  12  -6.035 -11.172  -1.642
   74    HE   ARG  12           HE       ARG  12  -5.436  -9.758  -4.007
   75   HH11  ARG  12          1HH1      ARG  12  -8.267 -10.526  -2.030
   76   HH12  ARG  12          2HH1      ARG  12  -9.158  -9.149  -2.583
   77   HH21  ARG  12          1HH2      ARG  12  -6.640  -8.057  -4.752
   78   HH22  ARG  12          2HH2      ARG  12  -8.263  -7.790  -4.183
   79    H    ASP  13           H        ASP  13  -5.420 -15.877  -0.402
   80    HA   ASP  13           HA       ASP  13  -8.291 -15.466  -0.425
   81    HB3  ASP  13           1HB      ASP  13  -6.642 -17.757   0.712
   82    H    GLU  14           H        GLU  14  -5.846 -15.619   2.172
   83    HA   GLU  14           HA       GLU  14  -7.759 -15.495   4.355
   84    HB3  GLU  14           1HB      GLU  14  -4.760 -14.978   4.312
   85    HG3  GLU  14           1HG      GLU  14  -6.677 -15.638   6.589
   86    H    LEU  15           H        LEU  15  -5.845 -13.164   2.510
   87    HA   LEU  15           HA       LEU  15  -6.462 -10.760   3.900
   88    HB3  LEU  15           1HB      LEU  15  -5.899 -11.328   0.958
   89    HG   LEU  15           HG       LEU  15  -5.629  -8.744   2.536
   90   HD11  LEU  15          1HD1      LEU  15  -4.131  -7.978   0.711
   91   HD12  LEU  15          2HD1      LEU  15  -4.150  -9.607   0.016
   92   HD13  LEU  15          3HD1      LEU  15  -3.440  -9.308   1.628
   93   HD21  LEU  15          3HD2      LEU  15  -7.673  -8.831   1.143
   94   HD22  LEU  15          1HD2      LEU  15  -6.721  -9.386  -0.253
   95   HD23  LEU  15          2HD2      LEU  15  -6.497  -7.758   0.398
   96    H    ASP  16           H        ASP  16  -8.262 -12.557   1.391
   97    HA   ASP  16           HA       ASP  16 -10.314 -10.644   0.957
   98    HB3  ASP  16           1HB      ASP  16 -10.623 -13.649   0.700
   99    H    ARG  17           H        ARG  17  -9.768 -12.536   3.774
  100    HA   ARG  17           HA       ARG  17 -12.546 -12.586   4.693
  101    HB3  ARG  17           1HB      ARG  17 -11.631 -13.381   6.803
  102    HG3  ARG  17           1HG      ARG  17 -10.459 -15.404   6.200
  103    HD3  ARG  17           1HD      ARG  17 -12.391 -14.974   3.897
  104    HE   ARG  17           HE       ARG  17 -12.719 -17.310   5.532
  105   HH11  ARG  17          1HH1      ARG  17 -10.507 -16.161   2.969
  106   HH12  ARG  17          2HH1      ARG  17 -10.136 -17.785   2.480
  107   HH21  ARG  17          1HH2      ARG  17 -12.157 -19.359   4.796
  108   HH22  ARG  17          2HH2      ARG  17 -11.050 -19.523   3.467
  109    H    LEU  18           H        LEU  18 -10.005 -10.172   4.632
  110    HA   LEU  18           HA       LEU  18 -10.894  -8.831   7.063
  111    HB3  LEU  18           1HB      LEU  18  -8.601  -8.679   6.132
  112    HG   LEU  18           HG       LEU  18  -9.345  -7.787   3.751
  113   HD11  LEU  18          1HD1      LEU  18  -9.148  -5.315   3.559
  114   HD12  LEU  18          2HD1      LEU  18  -9.260  -5.194   5.332
  115   HD13  LEU  18          3HD1      LEU  18 -10.621  -5.811   4.383
  116   HD21  LEU  18          3HD2      LEU  18  -7.169  -6.671   3.518
  117   HD22  LEU  18          1HD2      LEU  18  -7.026  -8.137   4.496
  118   HD23  LEU  18          2HD2      LEU  18  -7.031  -6.540   5.286
  119    H    ALA  19           H        ALA  19 -11.735  -6.546   7.105
  120    HA   ALA  19           HA       ALA  19 -13.737  -6.070   4.924
  121    HB1  ALA  19           3HB      ALA  19 -14.770  -7.274   6.822
  122    HB2  ALA  19           1HB      ALA  19 -14.268  -5.971   7.926
  123    HB3  ALA  19           2HB      ALA  19 -15.436  -5.642   6.622
  124    H    GLY  20           H        GLY  20 -11.554  -4.539   7.240
  125    HA2  GLY  20           1HA      GLY  20 -12.786  -1.915   6.985
  126    HA3  GLY  20           2HA      GLY  20 -11.260  -2.296   7.803
  127    HA   PRO  21           HA       PRO  21 -10.334  -0.116   3.709
  128    HB3  PRO  21           1HB      PRO  21 -11.307   1.925   4.181
  129    HG3  PRO  21           1HG      PRO  21 -11.650   2.651   6.421
  130    HD3  PRO  21           1HD      PRO  21 -12.626   0.508   6.409
  131    H    THR  22           H        THR  22  -8.481  -1.167   3.339
  132    HA   THR  22           HA       THR  22  -6.100  -0.695   5.109
  133    HB   THR  22           HB       THR  22  -7.081  -3.348   3.998
  134    HG1  THR  22           HG1      THR  22  -7.176  -3.821   6.236
  135   HG21  THR  22          3HG2      THR  22  -4.627  -3.331   3.875
  136   HG22  THR  22          1HG2      THR  22  -5.125  -4.317   5.241
  137   HG23  THR  22          2HG2      THR  22  -4.516  -2.672   5.528
  138    H    LEU  23           H        LEU  23  -4.449   0.089   4.009
  139    HA   LEU  23           HA       LEU  23  -4.262  -0.257   1.085
  140    HB3  LEU  23           1HB      LEU  23  -2.552   1.302   3.075
  141    HG   LEU  23           HG       LEU  23  -1.301   0.908   1.007
  142   HD11  LEU  23          1HD1      LEU  23  -2.449   2.058  -1.116
  143   HD12  LEU  23          2HD1      LEU  23  -3.915   1.568  -0.269
  144   HD13  LEU  23          3HD1      LEU  23  -2.673   0.356  -0.697
  145   HD21  LEU  23          3HD2      LEU  23  -2.450   3.699   1.098
  146   HD22  LEU  23          1HD2      LEU  23  -0.919   3.207   0.337
  147   HD23  LEU  23          2HD2      LEU  23  -1.097   3.077   2.091
  148    H    VAL  24           H        VAL  24  -3.121  -1.889   0.229
  149    HA   VAL  24           HA       VAL  24  -1.026  -3.283   1.858
  150    HB   VAL  24           HB       VAL  24  -2.473  -4.275  -0.623
  151   HG11  VAL  24          1HG1      VAL  24  -1.512  -6.467  -0.034
  152   HG12  VAL  24          2HG1      VAL  24  -0.206  -5.290  -0.265
  153   HG13  VAL  24          3HG1      VAL  24  -0.697  -5.756   1.376
  154   HG21  VAL  24          3HG2      VAL  24  -3.707  -5.784   0.867
  155   HG22  VAL  24          1HG2      VAL  24  -2.933  -5.061   2.289
  156   HG23  VAL  24          2HG2      VAL  24  -4.047  -4.110   1.285
  157    H    GLU  25           H        GLU  25   0.912  -2.699   1.489
  158    HA   GLU  25           HA       GLU  25   1.711  -1.311  -1.030
  159    HB3  GLU  25           1HB      GLU  25   2.421  -1.133   1.899
  160    HG3  GLU  25           1HG      GLU  25   4.618  -1.082   0.725
  161    H    PHE  26           H        PHE  26   3.152  -2.227  -2.353
  162    HA   PHE  26           HA       PHE  26   4.650  -4.645  -1.458
  163    HB3  PHE  26           1HB      PHE  26   4.718  -5.226  -3.832
  164    HD1  PHE  26           HD1      PHE  26   3.489  -6.856  -2.239
  165    HD2  PHE  26           HD2      PHE  26   1.495  -3.661  -4.344
  166    HE1  PHE  26           HE1      PHE  26   1.289  -7.911  -1.777
  167    HE2  PHE  26           HE2      PHE  26  -0.685  -4.756  -3.914
  168    HZ   PHE  26           HZ       PHE  26  -0.802  -6.837  -2.608
  169    H    GLY  27           H        GLY  27   6.773  -4.495  -1.182
  170    HA2  GLY  27           1HA      GLY  27   8.634  -3.052  -2.780
  171    HA3  GLY  27           2HA      GLY  27   8.141  -2.036  -1.456
  172    H    THR  28           H        THR  28  10.312  -2.115  -0.654
  173    HA   THR  28           HA       THR  28  10.626  -4.171   1.404
  174    HB   THR  28           HB       THR  28  13.034  -4.522   0.989
  175    HG1  THR  28           HG1      THR  28  13.814  -3.914  -1.109
  176   HG21  THR  28          3HG2      THR  28  11.407  -6.182   0.071
  177   HG22  THR  28          1HG2      THR  28  12.926  -6.099  -0.829
  178   HG23  THR  28          2HG2      THR  28  11.487  -5.337  -1.498
  179    H    ASP  29           H        ASP  29  12.687  -3.395   2.822
  180    HA   ASP  29           HA       ASP  29  12.133  -0.527   3.323
  181    HB3  ASP  29           1HB      ASP  29  13.880  -2.386   4.960
  182    H    TRP  30           H        TRP  30  14.141  -2.099   1.270
  183    HA   TRP  30           HA       TRP  30  16.474  -0.267   1.658
  184    HB3  TRP  30           1HB      TRP  30  17.062  -2.368   2.498
  185    HD1  TRP  30           HD       TRP  30  15.616  -4.461   2.889
  186    HE1  TRP  30           HE1      TRP  30  15.008  -6.532   1.518
  187    HE3  TRP  30           HE3      TRP  30  17.262  -2.897  -1.698
  188    HZ2  TRP  30           HZ2      TRP  30  15.090  -7.360  -1.256
  189    HZ3  TRP  30           HZ3      TRP  30  17.017  -4.345  -3.671
  190    HH2  TRP  30           HH       TRP  30  15.922  -6.578  -3.478
  191    H    CYS  31           H        CYS  31  14.196  -1.345  -0.802
  192    HA   CYS  31           HA       CYS  31  15.904  -0.748  -3.059
  193    HB2  CYS  31           1HB      CYS  31  13.894  -2.114  -3.321
  194    HB3  CYS  31           2HB      CYS  31  12.877  -0.754  -2.801
  195    H    GLY  32           H        GLY  32  16.115   1.123  -4.259
  196    HA2  GLY  32           1HA      GLY  32  15.930   3.701  -2.957
  197    HA3  GLY  32           2HA      GLY  32  16.399   3.393  -4.629
  198    H    HIS  33           H        HIS  33  13.674   1.943  -5.072
  199    HA   HIS  33           HA       HIS  33  11.962   4.248  -5.654
  200    HB2  HIS  33           1HB      HIS  33  11.338   1.281  -5.277
  201    HB3  HIS  33           2HB      HIS  33  10.188   2.481  -5.816
  202    HD1  HIS  33           HD1      HIS  33  11.921  -0.173  -7.308
  203    HD2  HIS  33           HD2      HIS  33  11.303   3.884  -8.224
  204    HE1  HIS  33           HE1      HIS  33  11.856  -0.009  -9.857
  205    H    CYS  34           H        CYS  34  12.129   1.784  -3.075
  206    HA   CYS  34           HA       CYS  34   9.843   2.706  -1.587
  207    HB3  CYS  34           1HB      CYS  34  11.156   1.328   0.225
  208    HG   CYS  34           HG       CYS  34  10.177   0.243  -2.805
  209    H    GLN  35           H        GLN  35  13.278   3.598  -1.420
  210    HA   GLN  35           HA       GLN  35  13.008   4.970   1.072
  211    HB3  GLN  35           1HB      GLN  35  15.082   6.180   0.484
  212    HG3  GLN  35           1HG      GLN  35  16.617   4.445   0.094
  213   HE21  GLN  35          2HE2      GLN  35  14.526   1.814   0.212
  214   HE22  GLN  35          1HE2      GLN  35  14.596   1.593   1.973
  215    H    ALA  36           H        ALA  36  12.063   5.866  -2.132
  216    HA   ALA  36           HA       ALA  36  11.546   8.703  -1.497
  217    HB1  ALA  36           3HB      ALA  36  12.434   8.033  -3.715
  218    HB2  ALA  36           1HB      ALA  36  10.982   7.051  -4.016
  219    HB3  ALA  36           2HB      ALA  36  10.838   8.808  -3.856
  220    H    ALA  37           H        ALA  37   9.651   5.684  -2.002
  221    HA   ALA  37           HA       ALA  37   7.107   7.063  -1.709
  222    HB1  ALA  37           3HB      ALA  37   7.709   4.096  -1.672
  223    HB2  ALA  37           1HB      ALA  37   6.113   4.883  -1.868
  224    HB3  ALA  37           2HB      ALA  37   7.354   5.080  -3.116
  225    H    GLN  38           H        GLN  38   9.254   5.364   0.546
  226    HA   GLN  38           HA       GLN  38   7.483   4.907   2.690
  227    HB3  GLN  38           1HB      GLN  38   9.722   5.462   4.059
  228    HG3  GLN  38           1HG      GLN  38  10.755   3.259   3.194
  229   HE21  GLN  38          2HE2      GLN  38  10.519   1.728   4.917
  230   HE22  GLN  38          1HE2      GLN  38   9.058   1.675   5.890
  231    HA   PRO  39           HA       PRO  39   8.042   9.287   4.459
  232    HB3  PRO  39           1HB      PRO  39  10.162  10.109   4.120
  233    HG3  PRO  39           1HG      PRO  39  11.270   9.854   2.006
  234    HD3  PRO  39           1HD      PRO  39  10.703   7.705   2.765
  235    H    LEU  40           H        LEU  40   7.246   8.716   1.102
  236    HA   LEU  40           HA       LEU  40   5.533  11.021   0.703
  237    HB3  LEU  40           1HB      LEU  40   4.811   8.497  -0.708
  238    HG   LEU  40           HG       LEU  40   4.884   9.642  -2.670
  239   HD11  LEU  40          1HD1      LEU  40   3.192  10.620  -0.949
  240   HD12  LEU  40          2HD1      LEU  40   3.499  11.474  -2.459
  241   HD13  LEU  40          3HD1      LEU  40   4.240  12.037  -0.938
  242   HD21  LEU  40          3HD2      LEU  40   6.047  11.738  -3.143
  243   HD22  LEU  40          1HD2      LEU  40   7.146  10.472  -2.599
  244   HD23  LEU  40          2HD2      LEU  40   6.679  11.772  -1.467
  245    H    LEU  41           H        LEU  41   4.957   7.571   1.467
  246    HA   LEU  41           HA       LEU  41   2.181   7.806   2.064
  247    HB3  LEU  41           1HB      LEU  41   2.754   5.711   3.558
  248    HG   LEU  41           HG       LEU  41   2.516   4.172   1.806
  249   HD11  LEU  41          1HD1      LEU  41   0.545   5.590   2.217
  250   HD12  LEU  41          2HD1      LEU  41   0.602   4.926   0.571
  251   HD13  LEU  41          3HD1      LEU  41   0.999   6.620   0.845
  252   HD21  LEU  41          3HD2      LEU  41   2.803   4.769  -0.597
  253   HD22  LEU  41          1HD2      LEU  41   4.289   4.735   0.370
  254   HD23  LEU  41          2HD2      LEU  41   3.572   6.288  -0.078
  255    H    ALA  42           H        ALA  42   5.079   8.018   4.138
  256    HA   ALA  42           HA       ALA  42   3.729   8.426   6.577
  257    HB1  ALA  42           3HB      ALA  42   5.825   9.273   7.416
  258    HB2  ALA  42           1HB      ALA  42   6.194   8.015   6.199
  259    HB3  ALA  42           2HB      ALA  42   6.345   9.734   5.784
  260    H    GLU  43           H        GLU  43   4.398  10.877   4.082
  261    HA   GLU  43           HA       GLU  43   3.491  13.101   5.714
  262    HB3  GLU  43           1HB      GLU  43   3.285  14.222   3.395
  263    HG3  GLU  43           1HG      GLU  43   5.836  14.067   3.020
  264    H    VAL  44           H        VAL  44   1.873  11.098   3.165
  265    HA   VAL  44           HA       VAL  44  -0.627  12.504   3.397
  266    HB   VAL  44           HB       VAL  44  -0.251  11.417   1.369
  267   HG11  VAL  44          1HG1      VAL  44  -0.154   8.698   2.689
  268   HG12  VAL  44          2HG1      VAL  44  -0.037   9.108   0.964
  269   HG13  VAL  44          3HG1      VAL  44   1.222   9.632   2.040
  270   HG21  VAL  44          3HG2      VAL  44  -2.239  10.095   1.041
  271   HG22  VAL  44          1HG2      VAL  44  -2.358   9.737   2.783
  272   HG23  VAL  44          2HG2      VAL  44  -2.608  11.385   2.210
  273    H    PHE  45           H        PHE  45   0.443   9.393   4.822
  274    HA   PHE  45           HA       PHE  45  -1.991   8.690   6.033
  275    HB3  PHE  45           1HB      PHE  45   0.198   7.709   7.637
  276    HD1  PHE  45           HD1      PHE  45  -2.370   6.914   8.006
  277    HD2  PHE  45           HD2      PHE  45   0.206   5.654   4.775
  278    HE1  PHE  45           HE1      PHE  45  -3.726   4.900   7.705
  279    HE2  PHE  45           HE2      PHE  45  -1.139   3.601   4.519
  280    HZ   PHE  45           HZ       PHE  45  -3.123   3.215   5.961
  281    H    SER  46           H        SER  46   0.252  11.117   7.130
  282    HA   SER  46           HA       SER  46  -0.398  11.211   9.904
  283    HB3  SER  46           1HB      SER  46   0.215  13.595   8.118
  284    HG   SER  46           HG       SER  46  -0.119  14.075  10.332
  285    H    ASP  47           H        ASP  47  -2.350  12.113   7.128
  286    HA   ASP  47           HA       ASP  47  -4.321  13.544   8.845
  287    HB3  ASP  47           1HB      ASP  47  -4.314  13.311   5.825
  288    H    TYR  48           H        TYR  48  -3.819  10.438   7.580
  289    HA   TYR  48           HA       TYR  48  -6.696   9.702   7.938
  290    HB3  TYR  48           1HB      TYR  48  -6.685   8.295   6.019
  291    HD1  TYR  48           HD2      TYR  48  -8.227  10.235   5.464
  292    HD2  TYR  48           HD1      TYR  48  -4.018  10.272   4.577
  293    HE1  TYR  48           HE2      TYR  48  -8.569  12.153   3.904
  294    HE2  TYR  48           HE1      TYR  48  -4.342  12.254   3.105
  295    HH   TYR  48           HH       TYR  48  -5.810  13.745   2.222
  296    HA   PRO  49           HA       PRO  49  -3.404   6.876  10.025
  297    HB3  PRO  49           1HB      PRO  49  -2.699   8.342  11.669
  298    HG3  PRO  49           1HG      PRO  49  -4.157  10.040  12.518
  299    HD3  PRO  49           1HD      PRO  49  -4.041  10.289  10.174
  300    H    GLU  50           H        GLU  50  -6.861   7.354  10.503
  301    HA   GLU  50           HA       GLU  50  -7.394   4.868  11.812
  302    HB3  GLU  50           1HB      GLU  50  -8.951   6.751  11.828
  303    HG3  GLU  50           1HG      GLU  50  -9.504   6.117   8.888
  304    H    VAL  51           H        VAL  51  -6.411   5.450   8.529
  305    HA   VAL  51           HA       VAL  51  -7.661   3.023   7.402
  306    HB   VAL  51           HB       VAL  51  -5.480   4.838   6.276
  307   HG11  VAL  51          1HG1      VAL  51  -6.035   3.817   4.085
  308   HG12  VAL  51          2HG1      VAL  51  -5.353   2.641   5.191
  309   HG13  VAL  51          3HG1      VAL  51  -7.106   2.656   4.892
  310   HG21  VAL  51          3HG2      VAL  51  -7.295   5.708   4.836
  311   HG22  VAL  51          1HG2      VAL  51  -8.463   4.678   5.686
  312   HG23  VAL  51          2HG2      VAL  51  -7.650   5.999   6.539
  313    H    GLY  52           H        GLY  52  -6.572   1.032   7.008
  314    HA2  GLY  52           1HA      GLY  52  -4.312   0.367   8.814
  315    HA3  GLY  52           2HA      GLY  52  -5.205  -0.744   7.745
  316    H    HIS  53           H        HIS  53  -2.237  -0.359   8.088
  317    HA   HIS  53           HA       HIS  53  -1.688  -0.140   5.178
  318    HB2  HIS  53           1HB      HIS  53  -0.946   1.948   6.521
  319    HB3  HIS  53           2HB      HIS  53   0.263   0.900   7.244
  320    HD1  HIS  53           HD1      HIS  53   2.140   2.499   6.055
  321    HD2  HIS  53           HD2      HIS  53  -0.468   0.467   3.460
  322    HE1  HIS  53           HE1      HIS  53   3.170   2.619   3.701
  323    H    LEU  54           H        LEU  54  -0.691  -1.882   4.394
  324    HA   LEU  54           HA       LEU  54   0.752  -3.727   6.251
  325    HB3  LEU  54           1HB      LEU  54  -0.941  -4.588   3.871
  326    HG   LEU  54           HG       LEU  54  -0.241  -5.973   6.502
  327   HD11  LEU  54          1HD1      LEU  54  -1.542  -7.866   5.641
  328   HD12  LEU  54          2HD1      LEU  54  -1.917  -6.972   4.151
  329   HD13  LEU  54          3HD1      LEU  54  -2.561  -6.424   5.717
  330   HD21  LEU  54          3HD2      LEU  54   0.566  -6.643   3.652
  331   HD22  LEU  54          1HD2      LEU  54   0.876  -7.682   5.067
  332   HD23  LEU  54          2HD2      LEU  54   1.660  -6.107   4.951
  333    H    LYS  55           H        LYS  55   2.788  -3.162   5.786
  334    HA   LYS  55           HA       LYS  55   3.765  -2.780   3.027
  335    HB3  LYS  55           1HB      LYS  55   5.978  -2.724   4.480
  336    HG3  LYS  55           1HG      LYS  55   3.891  -0.613   4.146
  337    HD3  LYS  55           1HD      LYS  55   5.640   1.040   4.718
  338    HE3  LYS  55           1HE      LYS  55   4.970  -0.762   7.081
  339    HZ1  LYS  55           3HZ      LYS  55   5.018   1.327   8.278
  340    HZ2  LYS  55           1HZ      LYS  55   5.287   2.194   6.904
  341    HZ3  LYS  55           2HZ      LYS  55   6.418   1.171   7.468
  342    H    VAL  56           H        VAL  56   3.736  -4.557   1.892
  343    HA   VAL  56           HA       VAL  56   4.670  -7.192   2.872
  344    HB   VAL  56           HB       VAL  56   3.764  -6.310   0.072
  345   HG11  VAL  56          1HG1      VAL  56   3.404  -8.691  -0.335
  346   HG12  VAL  56          2HG1      VAL  56   5.080  -8.405   0.085
  347   HG13  VAL  56          3HG1      VAL  56   3.973  -9.099   1.295
  348   HG21  VAL  56          3HG2      VAL  56   2.057  -7.661   2.188
  349   HG22  VAL  56          1HG2      VAL  56   1.915  -5.962   1.687
  350   HG23  VAL  56          2HG2      VAL  56   1.582  -7.220   0.522
  351    H    GLU  57           H        GLU  57   6.641  -7.535   3.045
  352    HA   GLU  57           HA       GLU  57   8.699  -6.346   1.403
  353    HB3  GLU  57           1HB      GLU  57   8.972  -8.826   3.126
  354    HG3  GLU  57           1HG      GLU  57  10.745  -6.454   2.490
  355    H    ASP  58           H        ASP  58   8.867  -6.812  -0.674
  356    HA   ASP  58           HA       ASP  58   8.383  -9.554  -1.748
  357    HB3  ASP  58           1HB      ASP  58   8.580  -6.866  -3.172
  358    H    GLY  59           H        GLY  59  10.235  -8.103  -4.026
  359    HA2  GLY  59           1HA      GLY  59  12.604  -7.743  -4.268
  360    HA3  GLY  59           2HA      GLY  59  12.902  -8.750  -2.849
  361    HA   PRO  60           HA       PRO  60  13.656 -11.303  -6.591
  362    HB3  PRO  60           1HB      PRO  60  15.907 -11.362  -6.092
  363    HG3  PRO  60           1HG      PRO  60  16.685 -11.317  -3.838
  364    HD3  PRO  60           1HD      PRO  60  15.250  -9.449  -4.050
  365    H    GLY  61           H        GLY  61  12.901 -12.509  -3.318
  366    HA2  GLY  61           1HA      GLY  61  11.384 -14.847  -4.378
  367    HA3  GLY  61           2HA      GLY  61  11.602 -14.389  -2.681
  368    H    ARG  62           H        ARG  62   9.711 -13.968  -5.550
  369    HA   ARG  62           HA       ARG  62   8.252 -11.629  -4.827
  370    HB3  ARG  62           1HB      ARG  62   6.621 -12.352  -6.543
  371    HG3  ARG  62           1HG      ARG  62   8.068 -12.525  -8.513
  372    HD3  ARG  62           1HD      ARG  62   9.297 -10.654  -6.453
  373    HE   ARG  62           HE       ARG  62   9.819 -11.014  -9.261
  374   HH11  ARG  62          1HH1      ARG  62   9.574  -8.497  -6.799
  375   HH12  ARG  62          2HH1      ARG  62  10.571  -7.379  -7.701
  376   HH21  ARG  62          1HH2      ARG  62  11.131  -9.552 -10.367
  377   HH22  ARG  62          2HH2      ARG  62  11.470  -7.994  -9.677
  378    H    ARG  63           H        ARG  63   6.335 -11.257  -3.839
  379    HA   ARG  63           HA       ARG  63   4.800 -13.443  -2.539
  380    HB3  ARG  63           1HB      ARG  63   6.472 -11.380  -1.070
  381    HG3  ARG  63           1HG      ARG  63   4.210 -13.114  -0.034
  382    HD3  ARG  63           1HD      ARG  63   5.965 -13.844   1.358
  383    HE   ARG  63           HE       ARG  63   7.045 -11.076   1.209
  384   HH11  ARG  63          1HH1      ARG  63   7.479 -14.269   2.685
  385   HH12  ARG  63          2HH1      ARG  63   9.194 -14.040   2.855
  386   HH21  ARG  63          1HH2      ARG  63   9.148 -10.846   1.455
  387   HH22  ARG  63          2HH2      ARG  63  10.146 -12.074   2.209
  388    H    LEU  64           H        LEU  64   2.771 -13.030  -2.769
  389    HA   LEU  64           HA       LEU  64   0.740 -12.212  -2.861
  390    HB3  LEU  64           1HB      LEU  64   1.851  -9.965  -1.161
  391    HG   LEU  64           HG       LEU  64  -0.481  -9.633  -1.846
  392   HD11  LEU  64          1HD1      LEU  64  -1.339 -11.862  -2.230
  393   HD12  LEU  64          2HD1      LEU  64  -2.247 -11.185  -0.862
  394   HD13  LEU  64          3HD1      LEU  64  -0.950 -12.364  -0.571
  395   HD21  LEU  64          3HD2      LEU  64  -1.397  -9.334   0.426
  396   HD22  LEU  64          1HD2      LEU  64   0.311  -8.926   0.418
  397   HD23  LEU  64          2HD2      LEU  64  -0.204 -10.476   1.084
  398    H    GLY  65           H        GLY  65   2.949  -9.482  -3.703
  399    HA2  GLY  65           1HA      GLY  65   1.052  -7.973  -5.192
  400    HA3  GLY  65           2HA      GLY  65   2.815  -7.913  -5.402
  401    H    ARG  66           H        ARG  66   2.774 -10.839  -6.131
  402    HA   ARG  66           HA       ARG  66   2.361 -10.932  -8.941
  403    HB3  ARG  66           1HB      ARG  66   2.274 -13.128  -6.834
  404    HG3  ARG  66           1HG      ARG  66   3.243 -13.464  -9.684
  405    HD3  ARG  66           1HD      ARG  66   3.744 -15.193  -7.906
  406    HE   ARG  66           HE       ARG  66   0.876 -15.028  -7.502
  407   HH11  ARG  66          1HH1      ARG  66   3.489 -17.414  -7.370
  408   HH12  ARG  66          2HH1      ARG  66   2.637 -18.397  -6.211
  409   HH21  ARG  66          1HH2      ARG  66  -0.138 -16.301  -6.031
  410   HH22  ARG  66          2HH2      ARG  66   0.609 -17.769  -5.465
  411    H    SER  67           H        SER  67   0.225 -11.961  -6.211
  412    HA   SER  67           HA       SER  67  -1.975 -12.776  -7.955
  413    HB3  SER  67           1HB      SER  67  -3.045 -13.391  -5.869
  414    HG   SER  67           HG       SER  67  -1.372 -14.708  -4.949
  415    H    PHE  68           H        PHE  68  -0.995  -9.797  -6.593
  416    HA   PHE  68           HA       PHE  68  -3.617  -8.507  -7.116
  417    HB3  PHE  68           1HB      PHE  68  -2.131  -6.428  -6.626
  418    HD1  PHE  68           HD1      PHE  68  -1.519  -8.922  -3.995
  419    HD2  PHE  68           HD2      PHE  68  -4.233  -6.004  -5.559
  420    HE1  PHE  68           HE1      PHE  68  -2.723  -8.916  -1.817
  421    HE2  PHE  68           HE2      PHE  68  -5.464  -5.970  -3.402
  422    HZ   PHE  68           HZ       PHE  68  -4.721  -7.439  -1.532
  423    H    GLN  69           H        GLN  69  -0.986  -9.596  -8.974
  424    HA   GLN  69           HA       GLN  69  -0.149  -9.134 -11.026
  425    HB3  GLN  69           1HB      GLN  69  -1.810  -8.458 -12.733
  426    HG3  GLN  69           1HG      GLN  69  -1.620 -10.821 -11.847
  427   HE21  GLN  69          2HE2      GLN  69  -4.374  -9.065 -10.227
  428   HE22  GLN  69          1HE2      GLN  69  -4.623 -10.411  -9.125
  429    H    VAL  70           H        VAL  70   0.774  -7.399  -9.211
  430    HA   VAL  70           HA       VAL  70   0.368  -4.643  -9.719
  431    HB   VAL  70           HB       VAL  70   2.564  -6.230  -8.384
  432   HG11  VAL  70          1HG1      VAL  70   2.614  -3.214  -8.812
  433   HG12  VAL  70          2HG1      VAL  70   3.562  -4.071  -7.577
  434   HG13  VAL  70          3HG1      VAL  70   3.854  -4.385  -9.286
  435   HG21  VAL  70          3HG2      VAL  70   0.598  -4.101  -7.422
  436   HG22  VAL  70          1HG2      VAL  70   0.336  -5.853  -7.292
  437   HG23  VAL  70          2HG2      VAL  70   1.674  -5.087  -6.411
  438    H    LYS  71           H        LYS  71   1.113  -3.200 -11.055
  439    HA   LYS  71           HA       LYS  71   1.979  -4.103 -13.651
  440    HB3  LYS  71           1HB      LYS  71   1.569  -1.783 -14.282
  441    HG3  LYS  71           1HG      LYS  71  -0.586  -2.721 -12.349
  442    HD3  LYS  71           1HD      LYS  71  -2.054  -2.004 -14.268
  443    HE3  LYS  71           1HE      LYS  71  -0.237   0.170 -13.128
  444    HZ1  LYS  71           3HZ      LYS  71  -2.161   1.582 -13.464
  445    HZ2  LYS  71           1HZ      LYS  71  -3.020   0.351 -14.132
  446    HZ3  LYS  71           2HZ      LYS  71  -1.703   0.961 -14.900
  447    H    LEU  72           H        LEU  72   3.364  -1.822 -11.343
  448    HA   LEU  72           HA       LEU  72   5.976  -1.699 -12.778
  449    HB3  LEU  72           1HB      LEU  72   4.849   0.059 -10.556
  450    HG   LEU  72           HG       LEU  72   7.340   0.332 -10.939
  451   HD11  LEU  72          1HD1      LEU  72   7.492  -0.212 -13.333
  452   HD12  LEU  72          2HD1      LEU  72   8.075   1.424 -13.052
  453   HD13  LEU  72          3HD1      LEU  72   6.451   1.176 -13.741
  454   HD21  LEU  72          3HD2      LEU  72   5.608   2.668 -11.840
  455   HD22  LEU  72          1HD2      LEU  72   7.250   2.768 -11.145
  456   HD23  LEU  72          2HD2      LEU  72   5.903   2.193 -10.149
  457    H    TRP  73           H        TRP  73   6.625  -0.844  -9.724
  458    HA   TRP  73           HA       TRP  73   6.319  -3.452  -8.406
  459    HB3  TRP  73           1HB      TRP  73   8.984  -2.042  -8.439
  460    HD1  TRP  73           HD       TRP  73   7.961  -5.738  -7.957
  461    HE1  TRP  73           HE1      TRP  73   8.957  -6.596  -5.755
  462    HE3  TRP  73           HE3      TRP  73   9.903  -1.343  -6.224
  463    HZ2  TRP  73           HZ2      TRP  73  10.651  -5.546  -3.639
  464    HZ3  TRP  73           HZ3      TRP  73  11.181  -1.304  -4.095
  465    HH2  TRP  73           HH       TRP  73  11.618  -3.384  -2.836
  466    HA   PRO  74           HA       PRO  74   6.551  -0.095  -5.093
  467    HB3  PRO  74           1HB      PRO  74   8.211   1.469  -5.374
  468    HG3  PRO  74           1HG      PRO  74   8.714   2.365  -7.574
  469    HD3  PRO  74           1HD      PRO  74   8.936   0.016  -7.674
  470    H    THR  75           H        THR  75   4.412  -0.632  -4.975
  471    HA   THR  75           HA       THR  75   2.300   1.051  -6.169
  472    HB   THR  75           HB       THR  75   2.685  -1.914  -6.816
  473    HG1  THR  75           HG1      THR  75   3.542   0.209  -7.997
  474   HG21  THR  75          3HG2      THR  75   0.348  -0.049  -7.438
  475   HG22  THR  75          1HG2      THR  75   0.305  -1.565  -6.501
  476   HG23  THR  75          2HG2      THR  75   0.627  -1.607  -8.241
  477    H    PHE  76           H        PHE  76   0.590   1.093  -4.902
  478    HA   PHE  76           HA       PHE  76   0.288  -0.941  -2.780
  479    HB3  PHE  76           1HB      PHE  76   1.210   0.661  -1.416
  480    HD1  PHE  76           HD1      PHE  76   2.879   1.776  -2.947
  481    HD2  PHE  76           HD2      PHE  76  -1.049   3.352  -2.155
  482    HE1  PHE  76           HE1      PHE  76   3.618   3.982  -3.757
  483    HE2  PHE  76           HE2      PHE  76  -0.291   5.560  -2.878
  484    HZ   PHE  76           HZ       PHE  76   2.028   5.882  -3.770
  485    H    VAL  77           H        VAL  77  -1.623  -1.716  -2.598
  486    HA   VAL  77           HA       VAL  77  -3.825  -0.685  -4.324
  487    HB   VAL  77           HB       VAL  77  -3.472  -3.464  -3.149
  488   HG11  VAL  77          1HG1      VAL  77  -5.298  -2.465  -5.384
  489   HG12  VAL  77          2HG1      VAL  77  -5.231  -4.098  -4.755
  490   HG13  VAL  77          3HG1      VAL  77  -5.843  -2.787  -3.738
  491   HG21  VAL  77          3HG2      VAL  77  -1.658  -2.958  -4.808
  492   HG22  VAL  77          1HG2      VAL  77  -2.797  -4.139  -5.443
  493   HG23  VAL  77          2HG2      VAL  77  -2.869  -2.461  -5.977
  494    H    PHE  78           H        PHE  78  -5.552   0.169  -3.436
  495    HA   PHE  78           HA       PHE  78  -5.895   0.166  -0.483
  496    HB3  PHE  78           1HB      PHE  78  -7.678   1.822  -0.928
  497    HD1  PHE  78           HD2      PHE  78  -4.962   2.306  -3.464
  498    HD2  PHE  78           HD1      PHE  78  -6.464   3.444   0.424
  499    HE1  PHE  78           HE2      PHE  78  -3.145   3.982  -3.234
  500    HE2  PHE  78           HE1      PHE  78  -4.679   5.179   0.574
  501    HZ   PHE  78           HZ       PHE  78  -3.047   5.436  -1.294
  502    H    LEU  79           H        LEU  79  -7.035  -1.367   0.422
  503    HA   LEU  79           HA       LEU  79  -9.176  -2.791  -1.071
  504    HB3  LEU  79           1HB      LEU  79  -8.992  -4.429   0.879
  505    HG   LEU  79           HG       LEU  79  -6.806  -5.433   0.441
  506   HD11  LEU  79          1HD1      LEU  79  -8.836  -6.128  -0.789
  507   HD12  LEU  79          2HD1      LEU  79  -7.336  -6.415  -1.661
  508   HD13  LEU  79          3HD1      LEU  79  -8.342  -5.041  -2.113
  509   HD21  LEU  79          3HD2      LEU  79  -5.446  -4.770  -1.450
  510   HD22  LEU  79          1HD2      LEU  79  -5.617  -3.405  -0.332
  511   HD23  LEU  79          2HD2      LEU  79  -6.603  -3.468  -1.828
  512    H    ARG  80           H        ARG  80 -11.030  -3.224  -0.022
  513    HA   ARG  80           HA       ARG  80 -11.804  -2.337   2.579
  514    HB3  ARG  80           1HB      ARG  80 -13.346  -0.784   0.476
  515    HG3  ARG  80           1HG      ARG  80 -12.772  -0.385   3.444
  516    HD3  ARG  80           1HD      ARG  80 -14.382   1.389   1.570
  517    HE   ARG  80           HE       ARG  80 -14.841   1.159   4.184
  518   HH11  ARG  80          1HH1      ARG  80 -13.059   3.819   2.587
  519   HH12  ARG  80          2HH1      ARG  80 -13.516   4.936   3.830
  520   HH21  ARG  80          1HH2      ARG  80 -15.342   2.681   5.722
  521   HH22  ARG  80          2HH2      ARG  80 -14.741   4.306   5.571
  522    H    ASP  81           H        ASP  81 -13.572  -3.456   3.251
  523    HA   ASP  81           HA       ASP  81 -14.995  -5.209   3.333
  524    HB3  ASP  81           1HB      ASP  81 -15.650  -4.851   0.398
  525    H    GLY  82           H        GLY  82 -12.162  -5.466   2.479
  526    HA2  GLY  82           1HA      GLY  82 -10.718  -7.251   2.242
  527    HA3  GLY  82           2HA      GLY  82 -12.080  -8.325   1.847
  528    H    ARG  83           H        ARG  83 -12.305  -5.721  -0.235
  529    HA   ARG  83           HA       ARG  83 -10.626  -7.009  -2.329
  530    HB3  ARG  83           1HB      ARG  83 -12.630  -6.659  -3.898
  531    HG3  ARG  83           1HG      ARG  83 -12.771  -8.601  -1.567
  532    HD3  ARG  83           1HD      ARG  83 -13.979  -9.008  -4.309
  533    HE   ARG  83           HE       ARG  83 -13.223 -10.764  -2.206
  534   HH11  ARG  83          1HH1      ARG  83 -16.082 -10.292  -4.249
  535   HH12  ARG  83          2HH1      ARG  83 -16.640 -11.917  -3.982
  536   HH21  ARG  83          1HH2      ARG  83 -13.995 -12.769  -1.851
  537   HH22  ARG  83          2HH2      ARG  83 -15.428 -13.339  -2.679
  538    H    GLU  84           H        GLU  84 -10.283  -5.756  -4.176
  539    HA   GLU  84           HA       GLU  84  -9.082  -3.292  -3.415
  540    HB3  GLU  84           1HB      GLU  84  -9.385  -4.667  -6.089
  541    HG3  GLU  84           1HG      GLU  84  -7.811  -2.158  -5.415
  542    H    VAL  85           H        VAL  85  -9.874  -1.349  -3.236
  543    HA   VAL  85           HA       VAL  85 -12.275  -0.488  -4.805
  544    HB   VAL  85           HB       VAL  85 -12.233   1.528  -3.321
  545   HG11  VAL  85          1HG1      VAL  85 -13.342   0.426  -1.478
  546   HG12  VAL  85          2HG1      VAL  85 -13.780  -0.383  -3.000
  547   HG13  VAL  85          3HG1      VAL  85 -12.597  -1.138  -1.909
  548   HG21  VAL  85          3HG2      VAL  85  -9.830   1.255  -2.483
  549   HG22  VAL  85          1HG2      VAL  85 -11.045   1.489  -1.204
  550   HG23  VAL  85          2HG2      VAL  85 -10.403  -0.123  -1.505
  551    H    ALA  86           H        ALA  86  -8.836  -0.044  -4.527
  552    HA   ALA  86           HA       ALA  86  -8.604   1.325  -7.048
  553    HB1  ALA  86           3HB      ALA  86  -9.347   3.264  -5.680
  554    HB2  ALA  86           1HB      ALA  86  -8.041   2.907  -4.497
  555    HB3  ALA  86           2HB      ALA  86  -7.659   3.459  -6.140
  556    H    ARG  87           H        ARG  87  -6.229   2.152  -7.247
  557    HA   ARG  87           HA       ARG  87  -4.388   1.355  -5.194
  558    HB3  ARG  87           1HB      ARG  87  -4.496  -0.745  -6.390
  559    HG3  ARG  87           1HG      ARG  87  -3.394   0.824  -8.761
  560    HD3  ARG  87           1HD      ARG  87  -2.298  -1.360  -8.113
  561    HE   ARG  87           HE       ARG  87  -4.984  -2.356  -8.273
  562   HH11  ARG  87          1HH1      ARG  87  -1.769  -3.378  -9.411
  563   HH12  ARG  87          2HH1      ARG  87  -2.233  -5.064  -9.385
  564   HH21  ARG  87          1HH2      ARG  87  -5.431  -4.544  -8.216
  565   HH22  ARG  87          2HH2      ARG  87  -4.202  -5.693  -8.723
  566    H    VAL  88           H        VAL  88  -2.330   2.282  -5.439
  567    HA   VAL  88           HA       VAL  88  -2.104   4.465  -7.525
  568    HB   VAL  88           HB       VAL  88  -1.353   4.552  -4.612
  569   HG11  VAL  88          1HG1      VAL  88  -0.516   6.895  -5.041
  570   HG12  VAL  88          2HG1      VAL  88   0.454   5.694  -5.900
  571   HG13  VAL  88          3HG1      VAL  88  -0.762   6.634  -6.779
  572   HG21  VAL  88          3HG2      VAL  88  -3.740   5.104  -5.107
  573   HG22  VAL  88          1HG2      VAL  88  -2.821   6.388  -4.318
  574   HG23  VAL  88          2HG2      VAL  88  -3.173   6.479  -6.072
  575    H    VAL  89           H        VAL  89  -0.184   4.596  -8.509
  576    HA   VAL  89           HA       VAL  89   2.101   2.892  -7.685
  577    HB   VAL  89           HB       VAL  89   1.021   1.416  -9.166
  578   HG11  VAL  89          1HG1      VAL  89   0.279   1.945 -11.453
  579   HG12  VAL  89          2HG1      VAL  89  -0.646   2.812 -10.234
  580   HG13  VAL  89          3HG1      VAL  89   0.609   3.665 -11.171
  581   HG21  VAL  89          3HG2      VAL  89   2.567   1.128 -10.965
  582   HG22  VAL  89          1HG2      VAL  89   3.019   2.842 -10.965
  583   HG23  VAL  89          2HG2      VAL  89   3.480   1.796  -9.607
  584    H    ARG  90           H        ARG  90   4.016   3.807  -8.034
  585    HA   ARG  90           HA       ARG  90   5.565   5.392  -8.345
  586    HB3  ARG  90           1HB      ARG  90   4.204   6.080 -10.965
  587    HG3  ARG  90           1HG      ARG  90   7.125   5.839 -10.130
  588    HD3  ARG  90           1HD      ARG  90   5.859   6.876 -12.684
  589    HE   ARG  90           HE       ARG  90   8.563   7.082 -11.641
  590   HH11  ARG  90          1HH1      ARG  90   6.810   6.743 -14.703
  591   HH12  ARG  90          2HH1      ARG  90   8.090   7.456 -15.623
  592   HH21  ARG  90          1HH2      ARG  90  10.199   7.983 -12.891
  593   HH22  ARG  90          2HH2      ARG  90   9.975   8.155 -14.602
  594    HA   PRO  91           HA       PRO  91   2.306   8.372  -6.726
  595    HB3  PRO  91           1HB      PRO  91   2.605   7.859  -4.587
  596    HG3  PRO  91           1HG      PRO  91   4.623   6.847  -3.840
  597    HD3  PRO  91           1HD      PRO  91   3.989   5.652  -5.805
  598    H    GLY  92           H        GLY  92   5.798   9.358  -6.762
  599    HA2  GLY  92           1HA      GLY  92   6.784  11.125  -7.873
  600    HA3  GLY  92           2HA      GLY  92   5.196  11.640  -8.473
  601    H    SER  93           H        SER  93   3.764  12.217  -6.230
  602    HA   SER  93           HA       SER  93   5.250  13.763  -4.270
  603    HB3  SER  93           1HB      SER  93   3.423  15.359  -6.074
  604    HG   SER  93           HG       SER  93   4.561  17.079  -4.987
  605    H    ALA  94           H        ALA  94   3.936  14.649  -2.622
  606    HA   ALA  94           HA       ALA  94   1.944  12.935  -1.624
  607    HB1  ALA  94           3HB      ALA  94   2.557  15.869  -1.025
  608    HB2  ALA  94           1HB      ALA  94   1.648  14.772   0.043
  609    HB3  ALA  94           2HB      ALA  94   3.363  14.464  -0.286
  610    H    SER  95           H        SER  95   1.467  15.899  -3.582
  611    HA   SER  95           HA       SER  95  -1.306  16.179  -3.285
  612    HB3  SER  95           1HB      SER  95  -1.249  17.384  -5.389
  613    HG   SER  95           HG       SER  95  -0.149  18.501  -3.743
  614    H    VAL  96           H        VAL  96   0.390  13.688  -5.161
  615    HA   VAL  96           HA       VAL  96  -2.089  12.851  -6.572
  616    HB   VAL  96           HB       VAL  96   0.695  11.621  -6.493
  617   HG11  VAL  96          1HG1      VAL  96  -0.008  10.379  -8.518
  618   HG12  VAL  96          2HG1      VAL  96  -0.939   9.914  -7.100
  619   HG13  VAL  96          3HG1      VAL  96  -1.666  10.997  -8.314
  620   HG21  VAL  96          3HG2      VAL  96   0.768  13.829  -7.580
  621   HG22  VAL  96          1HG2      VAL  96   0.942  12.549  -8.790
  622   HG23  VAL  96          2HG2      VAL  96  -0.621  13.391  -8.604
  623    H    LEU  97           H        LEU  97   0.064  11.753  -3.929
  624    HA   LEU  97           HA       LEU  97  -1.367   9.280  -3.481
  625    HB3  LEU  97           1HB      LEU  97   0.198  10.311  -1.208
  626    HG   LEU  97           HG       LEU  97   0.722   8.062  -3.228
  627   HD11  LEU  97          1HD1      LEU  97   2.187   7.095  -1.539
  628   HD12  LEU  97          2HD1      LEU  97   1.971   8.517  -0.490
  629   HD13  LEU  97          3HD1      LEU  97   2.771   8.654  -2.074
  630   HD21  LEU  97          3HD2      LEU  97  -0.102   6.721  -1.105
  631   HD22  LEU  97          1HD2      LEU  97  -1.287   7.464  -2.199
  632   HD23  LEU  97          2HD2      LEU  97  -0.872   8.258  -0.690
  633    H    GLU  98           H        GLU  98  -1.359  12.364  -1.672
  634    HA   GLU  98           HA       GLU  98  -3.383  11.786   0.188
  635    HB3  GLU  98           1HB      GLU  98  -3.798  14.253   0.184
  636    HG3  GLU  98           1HG      GLU  98  -0.848  13.482   0.226
  637    H    GLU  99           H        GLU  99  -3.775  13.082  -3.149
  638    HA   GLU  99           HA       GLU  99  -6.563  13.433  -3.162
  639    HB3  GLU  99           1HB      GLU  99  -4.566  12.698  -5.333
  640    HG3  GLU  99           1HG      GLU  99  -7.516  13.284  -5.609
  641    H    ALA 100           H        ALA 100  -4.693  10.427  -3.767
  642    HA   ALA 100           HA       ALA 100  -7.123   8.885  -4.310
  643    HB1  ALA 100           3HB      ALA 100  -5.575   6.974  -4.272
  644    HB2  ALA 100           1HB      ALA 100  -4.937   8.295  -5.278
  645    HB3  ALA 100           2HB      ALA 100  -4.282   8.037  -3.642
  646    H    PHE 101           H        PHE 101  -5.177   9.616  -1.380
  647    HA   PHE 101           HA       PHE 101  -6.284   7.503   0.242
  648    HB3  PHE 101           1HB      PHE 101  -5.670   9.435   2.017
  649    HD1  PHE 101           HD1      PHE 101  -3.176   7.791  -0.392
  650    HD2  PHE 101           HD2      PHE 101  -4.938   7.867   3.566
  651    HE1  PHE 101           HE1      PHE 101  -1.574   6.122   0.386
  652    HE2  PHE 101           HE2      PHE 101  -3.311   6.176   4.309
  653    HZ   PHE 101           HZ       PHE 101  -1.609   5.294   2.679
  654    H    GLU 102           H        GLU 102  -7.146  10.980  -0.081
  655    HA   GLU 102           HA       GLU 102  -9.454  10.828   1.617
  656    HB3  GLU 102           1HB      GLU 102  -8.773  12.991   1.262
  657    HG3  GLU 102           1HG      GLU 102  -8.510  12.360  -1.615
  658    H    SER 103           H        SER 103  -9.064  10.199  -1.854
  659    HA   SER 103           HA       SER 103 -11.841   9.929  -2.464
  660    HB3  SER 103           1HB      SER 103 -10.905   8.615  -4.430
  661    HG   SER 103           HG       SER 103  -9.366  10.950  -4.155
  662    H    LEU 104           H        LEU 104  -9.597   7.638  -0.953
  663    HA   LEU 104           HA       LEU 104 -11.635   5.452  -1.165
  664    HB3  LEU 104           1HB      LEU 104  -9.659   4.047  -0.385
  665    HG   LEU 104           HG       LEU 104  -8.779   3.608  -2.438
  666   HD11  LEU 104          1HD1      LEU 104 -11.346   3.498  -2.308
  667   HD12  LEU 104          2HD1      LEU 104 -10.631   3.428  -3.918
  668   HD13  LEU 104          3HD1      LEU 104 -11.359   4.937  -3.345
  669   HD21  LEU 104          3HD2      LEU 104  -9.308   6.450  -3.366
  670   HD22  LEU 104          1HD2      LEU 104  -8.802   5.155  -4.426
  671   HD23  LEU 104          2HD2      LEU 104  -7.735   5.635  -3.100
  672    H    VAL 105           H        VAL 105 -10.052   7.462   1.243
  673    HA   VAL 105           HA       VAL 105 -11.072   5.982   3.482
  674    HB   VAL 105           HB       VAL 105  -9.266   7.914   3.337
  675   HG11  VAL 105          1HG1      VAL 105 -11.650   9.567   4.251
  676   HG12  VAL 105          2HG1      VAL 105  -9.979  10.103   4.026
  677   HG13  VAL 105          3HG1      VAL 105 -10.955   9.672   2.626
  678   HG21  VAL 105          3HG2      VAL 105  -9.313   8.210   5.652
  679   HG22  VAL 105          1HG2      VAL 105 -11.045   7.810   5.768
  680   HG23  VAL 105          2HG2      VAL 105  -9.866   6.557   5.322
  681    H    GLY 106           H        GLY 106 -12.467   8.250   1.219
  682    HA2  GLY 106           1HA      GLY 106 -14.797   8.309   0.774
  683    HA3  GLY 106           2HA      GLY 106 -15.159   8.038   2.504
  684    H    GLU 107           H        GLU 107 -12.672  10.361   1.770
  685    HA   GLU 107           HA       GLU 107 -14.432  12.623   2.587
  686    HB3  GLU 107           1HB      GLU 107 -12.041  13.687   2.878
  687    HG3  GLU 107           1HG      GLU 107 -11.694  12.532   5.063
  688    H    GLY 108           H        GLY 108 -13.122  11.318  -0.265
  689    HA2  GLY 108           1HA      GLY 108 -12.249  13.601  -1.667
  690    HA3  GLY 108           2HA      GLY 108 -12.824  12.100  -2.410
  Start of MODEL   12
    1    H1   MET   1           H        MET   1  18.739  -2.227  13.126
    2    HA   MET   1           HA       MET   1  16.998  -1.514  15.264
    3    HB3  MET   1           1HB      MET   1  17.514   0.793  14.606
    4    HG3  MET   1           1HG      MET   1  16.283   0.032  11.914
    5    HE1  MET   1           3HE      MET   1  14.511   2.102  13.490
    6    HE2  MET   1           1HE      MET   1  14.350   3.357  12.242
    7    HE3  MET   1           2HE      MET   1  14.300   1.634  11.785
    8    H    LYS   2           H        LYS   2  14.676  -1.735  14.734
    9    HA   LYS   2           HA       LYS   2  14.155  -3.944  12.906
   10    HB3  LYS   2           1HB      LYS   2  11.817  -3.673  13.624
   11    HG3  LYS   2           1HG      LYS   2  11.956  -3.882  16.041
   12    HD3  LYS   2           1HD      LYS   2  14.360  -5.255  14.772
   13    HE3  LYS   2           1HE      LYS   2  14.269  -5.408  17.260
   14    HZ1  LYS   2           3HZ      LYS   2  11.724  -6.873  16.769
   15    HZ2  LYS   2           1HZ      LYS   2  11.849  -5.461  17.587
   16    HZ3  LYS   2           2HZ      LYS   2  12.514  -6.823  18.193
   17    H    THR   3           H        THR   3  13.006  -3.954  10.993
   18    HA   THR   3           HA       THR   3  12.917  -1.478   9.379
   19    HB   THR   3           HB       THR   3  12.122  -3.098   7.578
   20    HG1  THR   3           HG1      THR   3  11.438  -4.816   8.818
   21   HG21  THR   3          3HG2      THR   3  14.825  -3.669   8.873
   22   HG22  THR   3          1HG2      THR   3  14.473  -2.291   7.816
   23   HG23  THR   3          2HG2      THR   3  14.368  -3.955   7.181
   24    H    ARG   4           H        ARG   4  11.111  -0.830   8.215
   25    HA   ARG   4           HA       ARG   4   8.673  -0.694   9.801
   26    HB3  ARG   4           1HB      ARG   4   8.011   0.857   7.893
   27    HG3  ARG   4           1HG      ARG   4  10.668   1.278   9.334
   28    HD3  ARG   4           1HD      ARG   4  10.260   3.706   8.588
   29    HE   ARG   4           HE       ARG   4  11.752   1.651   7.272
   30   HH11  ARG   4          1HH1      ARG   4  10.485   4.863   6.453
   31   HH12  ARG   4          2HH1      ARG   4  11.694   5.083   5.209
   32   HH21  ARG   4          1HH2      ARG   4  13.440   2.176   5.890
   33   HH22  ARG   4          2HH2      ARG   4  13.335   3.628   4.919
   34    H    TYR   5           H        TYR   5   9.699  -2.317   7.005
   35    HA   TYR   5           HA       TYR   5   7.052  -3.254   6.123
   36    HB3  TYR   5           1HB      TYR   5   8.579  -4.555   4.450
   37    HD1  TYR   5           HD1      TYR   5   9.706  -1.017   4.884
   38    HD2  TYR   5           HD2      TYR   5   6.981  -3.733   2.998
   39    HE1  TYR   5           HE1      TYR   5   9.029   0.788   3.283
   40    HE2  TYR   5           HE2      TYR   5   6.200  -1.905   1.454
   41    HH   TYR   5           HH       TYR   5   6.603   0.281   0.727
   42    H    SER   6           H        SER   6   6.522  -5.535   5.718
   43    HA   SER   6           HA       SER   6   7.870  -7.389   7.606
   44    HB3  SER   6           1HB      SER   6   5.631  -8.408   7.971
   45    HG   SER   6           HG       SER   6   4.784  -6.611   9.203
   46    H    ALA   7           H        ALA   7   8.707  -9.178   6.765
   47    HA   ALA   7           HA       ALA   7   8.055 -10.097   4.054
   48    HB1  ALA   7           3HB      ALA   7   9.884 -11.241   6.220
   49    HB2  ALA   7           1HB      ALA   7   9.859 -11.732   4.520
   50    HB3  ALA   7           2HB      ALA   7  10.377 -10.087   4.959
   51    H    GLU   8           H        GLU   8   7.279 -11.118   7.338
   52    HA   GLU   8           HA       GLU   8   6.023 -13.643   6.517
   53    HB3  GLU   8           1HB      GLU   8   5.453 -13.841   8.915
   54    HG3  GLU   8           1HG      GLU   8   8.352 -12.980   8.534
   55    H    ALA   9           H        ALA   9   4.901 -11.629   5.033
   56    HA   ALA   9           HA       ALA   9   2.527 -10.519   6.197
   57    HB1  ALA   9           3HB      ALA   9   2.014  -9.833   3.856
   58    HB2  ALA   9           1HB      ALA   9   3.682  -9.426   4.326
   59    HB3  ALA   9           2HB      ALA   9   3.344 -10.836   3.281
   60    HA   PRO  10           HA       PRO  10  -0.476 -13.753   5.599
   61    HB3  PRO  10           1HB      PRO  10  -1.924 -12.369   6.733
   62    HG3  PRO  10           1HG      PRO  10  -2.000  -9.983   6.264
   63    HD3  PRO  10           1HD      PRO  10   0.184 -10.588   6.937
   64    H    ALA  11           H        ALA  11  -1.970 -14.666   4.019
   65    HA   ALA  11           HA       ALA  11  -1.185 -14.139   1.210
   66    HB1  ALA  11           3HB      ALA  11  -2.761 -16.422   2.486
   67    HB2  ALA  11           1HB      ALA  11  -2.219 -16.354   0.796
   68    HB3  ALA  11           2HB      ALA  11  -1.022 -16.440   2.109
   69    H    ARG  12           H        ARG  12  -2.873 -14.198  -0.492
   70    HA   ARG  12           HA       ARG  12  -4.719 -12.112  -0.077
   71    HB3  ARG  12           1HB      ARG  12  -5.344 -13.771  -2.434
   72    HG3  ARG  12           1HG      ARG  12  -4.031 -11.723  -3.490
   73    HD3  ARG  12           1HD      ARG  12  -6.465 -12.028  -3.719
   74    HE   ARG  12           HE       ARG  12  -7.076 -11.882  -1.272
   75   HH11  ARG  12          1HH1      ARG  12  -7.261  -8.920  -3.247
   76   HH12  ARG  12          2HH1      ARG  12  -8.579  -8.317  -2.275
   77   HH21  ARG  12          1HH2      ARG  12  -8.705 -11.010  -0.124
   78   HH22  ARG  12          2HH2      ARG  12  -9.390  -9.466  -0.582
   79    H    ASP  13           H        ASP  13  -5.283 -15.588   0.196
   80    HA   ASP  13           HA       ASP  13  -8.148 -15.508   0.422
   81    HB3  ASP  13           1HB      ASP  13  -6.186 -17.411   1.765
   82    H    GLU  14           H        GLU  14  -5.610 -14.652   2.698
   83    HA   GLU  14           HA       GLU  14  -7.376 -14.610   5.050
   84    HB3  GLU  14           1HB      GLU  14  -4.634 -13.402   4.919
   85    HG3  GLU  14           1HG      GLU  14  -6.064 -13.412   7.056
   86    H    LEU  15           H        LEU  15  -6.051 -12.374   2.584
   87    HA   LEU  15           HA       LEU  15  -7.114  -9.974   3.830
   88    HB3  LEU  15           1HB      LEU  15  -6.835  -9.100   1.420
   89    HG   LEU  15           HG       LEU  15  -5.112  -8.798   3.303
   90   HD11  LEU  15          1HD1      LEU  15  -3.692 -10.968   1.705
   91   HD12  LEU  15          2HD1      LEU  15  -4.144 -11.050   3.430
   92   HD13  LEU  15          3HD1      LEU  15  -2.920  -9.897   2.869
   93   HD21  LEU  15          3HD2      LEU  15  -5.105  -7.543   1.197
   94   HD22  LEU  15          1HD2      LEU  15  -4.227  -8.861   0.393
   95   HD23  LEU  15          2HD2      LEU  15  -3.456  -7.927   1.690
   96    H    ASP  16           H        ASP  16  -8.570 -12.473   1.855
   97    HA   ASP  16           HA       ASP  16 -10.918 -11.054   0.970
   98    HB3  ASP  16           1HB      ASP  16 -10.381 -13.961   1.662
   99    H    ARG  17           H        ARG  17  -9.914 -12.115   4.100
  100    HA   ARG  17           HA       ARG  17 -12.540 -12.239   5.340
  101    HB3  ARG  17           1HB      ARG  17 -11.355 -12.690   7.354
  102    HG3  ARG  17           1HG      ARG  17  -9.808 -14.511   6.778
  103    HD3  ARG  17           1HD      ARG  17 -12.072 -14.397   4.747
  104    HE   ARG  17           HE       ARG  17 -10.047 -15.964   4.250
  105   HH11  ARG  17          1HH1      ARG  17 -13.000 -16.948   5.939
  106   HH12  ARG  17          2HH1      ARG  17 -12.854 -18.603   5.425
  107   HH21  ARG  17          1HH2      ARG  17  -9.870 -18.150   3.683
  108   HH22  ARG  17          2HH2      ARG  17 -11.121 -19.247   4.158
  109    H    LEU  18           H        LEU  18 -10.472  -9.665   4.500
  110    HA   LEU  18           HA       LEU  18 -10.855  -7.901   6.738
  111    HB3  LEU  18           1HB      LEU  18 -10.141  -6.117   4.953
  112    HG   LEU  18           HG       LEU  18  -8.357  -8.538   5.393
  113   HD11  LEU  18          1HD1      LEU  18  -7.719  -7.402   3.289
  114   HD12  LEU  18          2HD1      LEU  18  -6.517  -7.089   4.551
  115   HD13  LEU  18          3HD1      LEU  18  -7.707  -5.833   4.128
  116   HD21  LEU  18          3HD2      LEU  18  -8.418  -5.726   6.582
  117   HD22  LEU  18          1HD2      LEU  18  -7.180  -6.955   6.931
  118   HD23  LEU  18          2HD2      LEU  18  -8.864  -7.219   7.428
  119    H    ALA  19           H        ALA  19 -11.828  -5.675   6.435
  120    HA   ALA  19           HA       ALA  19 -14.374  -5.613   4.931
  121    HB1  ALA  19           3HB      ALA  19 -15.667  -5.150   6.979
  122    HB2  ALA  19           1HB      ALA  19 -14.918  -6.757   7.016
  123    HB3  ALA  19           2HB      ALA  19 -14.213  -5.430   7.966
  124    H    GLY  20           H        GLY  20 -12.305  -3.750   7.214
  125    HA2  GLY  20           1HA      GLY  20 -13.496  -1.208   6.400
  126    HA3  GLY  20           2HA      GLY  20 -12.110  -1.440   7.484
  127    HA   PRO  21           HA       PRO  21 -10.737   0.115   3.214
  128    HB3  PRO  21           1HB      PRO  21 -11.498   2.270   3.388
  129    HG3  PRO  21           1HG      PRO  21 -11.948   3.253   5.496
  130    HD3  PRO  21           1HD      PRO  21 -13.103   1.187   5.577
  131    H    THR  22           H        THR  22  -8.905  -0.966   2.909
  132    HA   THR  22           HA       THR  22  -6.598  -0.680   4.811
  133    HB   THR  22           HB       THR  22  -7.609  -3.295   3.614
  134    HG1  THR  22           HG1      THR  22  -8.905  -2.534   5.298
  135   HG21  THR  22          3HG2      THR  22  -5.159  -3.318   3.954
  136   HG22  THR  22          1HG2      THR  22  -5.936  -4.291   5.204
  137   HG23  THR  22          2HG2      THR  22  -5.347  -2.665   5.597
  138    H    LEU  23           H        LEU  23  -4.947   0.123   3.748
  139    HA   LEU  23           HA       LEU  23  -4.650  -0.298   0.858
  140    HB3  LEU  23           1HB      LEU  23  -3.039   1.355   2.843
  141    HG   LEU  23           HG       LEU  23  -1.705   0.956   0.822
  142   HD11  LEU  23          1HD1      LEU  23  -2.821   1.994  -1.375
  143   HD12  LEU  23          2HD1      LEU  23  -4.300   1.498  -0.551
  144   HD13  LEU  23          3HD1      LEU  23  -3.038   0.312  -0.902
  145   HD21  LEU  23          3HD2      LEU  23  -2.988   3.708   0.795
  146   HD22  LEU  23          1HD2      LEU  23  -1.419   3.262   0.069
  147   HD23  LEU  23          2HD2      LEU  23  -1.623   3.160   1.826
  148    H    VAL  24           H        VAL  24  -3.334  -1.813   0.036
  149    HA   VAL  24           HA       VAL  24  -1.339  -3.160   1.814
  150    HB   VAL  24           HB       VAL  24  -2.535  -4.206  -0.792
  151   HG11  VAL  24          1HG1      VAL  24  -1.601  -6.381  -0.038
  152   HG12  VAL  24          2HG1      VAL  24  -0.321  -5.178  -0.214
  153   HG13  VAL  24          3HG1      VAL  24  -0.925  -5.599   1.405
  154   HG21  VAL  24          3HG2      VAL  24  -4.342  -4.067   0.893
  155   HG22  VAL  24          1HG2      VAL  24  -3.891  -5.725   0.537
  156   HG23  VAL  24          2HG2      VAL  24  -3.342  -4.973   2.049
  157    H    GLU  25           H        GLU  25   0.666  -2.518   1.519
  158    HA   GLU  25           HA       GLU  25   1.504  -1.278  -1.061
  159    HB3  GLU  25           1HB      GLU  25   2.469  -0.929   1.806
  160    HG3  GLU  25           1HG      GLU  25   3.259   0.672  -0.661
  161    H    PHE  26           H        PHE  26   3.057  -2.109  -2.235
  162    HA   PHE  26           HA       PHE  26   4.677  -4.399  -1.211
  163    HB3  PHE  26           1HB      PHE  26   4.835  -5.079  -3.517
  164    HD1  PHE  26           HD2      PHE  26   3.322  -6.616  -2.057
  165    HD2  PHE  26           HD1      PHE  26   1.798  -3.313  -4.372
  166    HE1  PHE  26           HE2      PHE  26   0.997  -7.462  -1.767
  167    HE2  PHE  26           HE1      PHE  26  -0.502  -4.182  -4.093
  168    HZ   PHE  26           HZ       PHE  26  -0.916  -6.221  -2.750
  169    H    GLY  27           H        GLY  27   6.778  -4.050  -0.833
  170    HA2  GLY  27           1HA      GLY  27   8.553  -2.358  -2.295
  171    HA3  GLY  27           2HA      GLY  27   7.895  -1.469  -0.938
  172    H    THR  28           H        THR  28  10.288  -1.450  -0.362
  173    HA   THR  28           HA       THR  28  10.612  -3.395   1.814
  174    HB   THR  28           HB       THR  28  13.007  -3.707   1.435
  175    HG1  THR  28           HG1      THR  28  13.789  -3.140  -0.694
  176   HG21  THR  28          3HG2      THR  28  11.425  -5.413   0.523
  177   HG22  THR  28          1HG2      THR  28  12.982  -5.325  -0.323
  178   HG23  THR  28          2HG2      THR  28  11.535  -4.614  -1.051
  179    H    ASP  29           H        ASP  29  12.678  -2.619   3.115
  180    HA   ASP  29           HA       ASP  29  12.077   0.127   3.935
  181    HB3  ASP  29           1HB      ASP  29  14.330  -1.614   4.994
  182    H    TRP  30           H        TRP  30  14.194  -1.377   1.719
  183    HA   TRP  30           HA       TRP  30  16.300   0.716   1.978
  184    HB3  TRP  30           1HB      TRP  30  17.019  -1.351   2.855
  185    HD1  TRP  30           HD       TRP  30  15.639  -3.478   3.290
  186    HE1  TRP  30           HE1      TRP  30  15.071  -5.600   1.944
  187    HE3  TRP  30           HE3      TRP  30  17.313  -1.999  -1.315
  188    HZ2  TRP  30           HZ2      TRP  30  15.138  -6.447  -0.828
  189    HZ3  TRP  30           HZ3      TRP  30  17.049  -3.457  -3.277
  190    HH2  TRP  30           HH       TRP  30  15.941  -5.691  -3.061
  191    H    CYS  31           H        CYS  31  14.177  -0.702  -0.493
  192    HA   CYS  31           HA       CYS  31  15.951  -0.178  -2.698
  193    HB2  CYS  31           1HB      CYS  31  14.077  -1.764  -2.841
  194    HB3  CYS  31           2HB      CYS  31  12.920  -0.446  -2.636
  195    H    GLY  32           H        GLY  32  16.086   1.521  -4.117
  196    HA2  GLY  32           1HA      GLY  32  15.648   4.219  -3.185
  197    HA3  GLY  32           2HA      GLY  32  16.171   3.739  -4.806
  198    H    HIS  33           H        HIS  33  13.633   2.069  -5.170
  199    HA   HIS  33           HA       HIS  33  11.724   4.094  -6.022
  200    HB2  HIS  33           1HB      HIS  33  11.579   1.096  -5.465
  201    HB3  HIS  33           2HB      HIS  33  10.172   2.027  -5.887
  202    HD1  HIS  33           HD1      HIS  33  11.842  -0.328  -7.617
  203    HD2  HIS  33           HD2      HIS  33  11.072   3.736  -8.330
  204    HE1  HIS  33           HE1      HIS  33  11.679  -0.068 -10.155
  205    H    CYS  34           H        CYS  34  12.006   2.006  -3.143
  206    HA   CYS  34           HA       CYS  34   9.625   3.045  -1.855
  207    HB3  CYS  34           1HB      CYS  34  10.965   1.917   0.162
  208    HG   CYS  34           HG       CYS  34   8.657   1.148  -0.705
  209    H    GLN  35           H        GLN  35  13.044   4.074  -1.720
  210    HA   GLN  35           HA       GLN  35  12.666   5.617   0.665
  211    HB3  GLN  35           1HB      GLN  35  14.706   6.807   0.104
  212    HG3  GLN  35           1HG      GLN  35  16.295   5.102  -0.153
  213   HE21  GLN  35          2HE2      GLN  35  14.158   2.474   0.100
  214   HE22  GLN  35          1HE2      GLN  35  14.266   2.345   1.861
  215    H    ALA  36           H        ALA  36  11.760   6.215  -2.581
  216    HA   ALA  36           HA       ALA  36  11.126   9.077  -2.246
  217    HB1  ALA  36           3HB      ALA  36  11.978   8.195  -4.398
  218    HB2  ALA  36           1HB      ALA  36  10.612   7.079  -4.505
  219    HB3  ALA  36           2HB      ALA  36  10.330   8.827  -4.589
  220    H    ALA  37           H        ALA  37   9.310   5.971  -2.475
  221    HA   ALA  37           HA       ALA  37   6.734   7.308  -2.236
  222    HB1  ALA  37           3HB      ALA  37   7.077   5.284  -3.588
  223    HB2  ALA  37           1HB      ALA  37   7.455   4.369  -2.113
  224    HB3  ALA  37           2HB      ALA  37   5.822   5.060  -2.355
  225    H    GLN  38           H        GLN  38   8.917   5.780   0.077
  226    HA   GLN  38           HA       GLN  38   7.162   5.239   2.229
  227    HB3  GLN  38           1HB      GLN  38   9.356   5.829   3.578
  228    HG3  GLN  38           1HG      GLN  38   9.244   3.557   1.549
  229   HE21  GLN  38          2HE2      GLN  38  10.798   1.629   2.335
  230   HE22  GLN  38          1HE2      GLN  38  12.370   2.186   2.868
  231    HA   PRO  39           HA       PRO  39   7.639   9.654   3.985
  232    HB3  PRO  39           1HB      PRO  39   9.718  10.568   3.566
  233    HG3  PRO  39           1HG      PRO  39  10.750  10.357   1.407
  234    HD3  PRO  39           1HD      PRO  39  10.307   8.182   2.235
  235    H    LEU  40           H        LEU  40   6.785   9.004   0.666
  236    HA   LEU  40           HA       LEU  40   4.972  11.229   0.254
  237    HB3  LEU  40           1HB      LEU  40   4.373   8.680  -1.147
  238    HG   LEU  40           HG       LEU  40   4.568   9.792  -3.140
  239   HD11  LEU  40          1HD1      LEU  40   3.098  11.570  -3.015
  240   HD12  LEU  40          2HD1      LEU  40   3.755  12.192  -1.484
  241   HD13  LEU  40          3HD1      LEU  40   2.755  10.738  -1.488
  242   HD21  LEU  40          3HD2      LEU  40   6.802  10.710  -2.918
  243   HD22  LEU  40          1HD2      LEU  40   6.217  11.974  -1.807
  244   HD23  LEU  40          2HD2      LEU  40   5.682  11.950  -3.509
  245    H    LEU  41           H        LEU  41   4.503   7.767   1.027
  246    HA   LEU  41           HA       LEU  41   1.725   7.909   1.652
  247    HB3  LEU  41           1HB      LEU  41   2.406   5.861   3.175
  248    HG   LEU  41           HG       LEU  41   2.179   4.310   1.457
  249   HD11  LEU  41          1HD1      LEU  41   0.583   6.675   0.445
  250   HD12  LEU  41          2HD1      LEU  41   0.167   5.677   1.856
  251   HD13  LEU  41          3HD1      LEU  41   0.229   4.958   0.239
  252   HD21  LEU  41          3HD2      LEU  41   3.129   6.448  -0.462
  253   HD22  LEU  41          1HD2      LEU  41   2.443   4.886  -0.955
  254   HD23  LEU  41          2HD2      LEU  41   3.945   4.967  -0.008
  255    H    ALA  42           H        ALA  42   4.642   8.215   3.727
  256    HA   ALA  42           HA       ALA  42   3.335   8.577   6.195
  257    HB1  ALA  42           3HB      ALA  42   5.872   9.979   5.260
  258    HB2  ALA  42           1HB      ALA  42   5.417   9.613   6.932
  259    HB3  ALA  42           2HB      ALA  42   5.807   8.299   5.810
  260    H    GLU  43           H        GLU  43   3.889  11.063   3.679
  261    HA   GLU  43           HA       GLU  43   2.861  13.252   5.287
  262    HB3  GLU  43           1HB      GLU  43   2.669  14.363   2.974
  263    HG3  GLU  43           1HG      GLU  43   5.231  14.340   2.680
  264    H    VAL  44           H        VAL  44   1.362  11.219   2.683
  265    HA   VAL  44           HA       VAL  44  -1.174  12.581   2.861
  266    HB   VAL  44           HB       VAL  44  -0.757  11.505   0.844
  267   HG11  VAL  44          1HG1      VAL  44  -0.598   8.784   2.158
  268   HG12  VAL  44          2HG1      VAL  44  -0.490   9.204   0.431
  269   HG13  VAL  44          3HG1      VAL  44   0.748   9.750   1.511
  270   HG21  VAL  44          3HG2      VAL  44  -2.714  10.141   0.482
  271   HG22  VAL  44          1HG2      VAL  44  -2.817   9.743   2.213
  272   HG23  VAL  44          2HG2      VAL  44  -3.130  11.392   1.672
  273    H    PHE  45           H        PHE  45  -0.091   9.476   4.274
  274    HA   PHE  45           HA       PHE  45  -2.547   8.701   5.390
  275    HB3  PHE  45           1HB      PHE  45  -0.189   7.765   6.923
  276    HD1  PHE  45           HD2      PHE  45  -2.767   6.915   7.606
  277    HD2  PHE  45           HD1      PHE  45  -0.370   5.593   4.261
  278    HE1  PHE  45           HE2      PHE  45  -4.073   4.859   7.490
  279    HE2  PHE  45           HE1      PHE  45  -1.686   3.491   4.178
  280    HZ   PHE  45           HZ       PHE  45  -3.543   3.110   5.779
  281    H    SER  46           H        SER  46  -0.293  11.056   6.644
  282    HA   SER  46           HA       SER  46  -1.033  11.039   9.413
  283    HB3  SER  46           1HB      SER  46  -0.272  13.430   9.358
  284    HG   SER  46           HG       SER  46   1.563  11.716   7.984
  285    H    ASP  47           H        ASP  47  -2.890  12.112   6.630
  286    HA   ASP  47           HA       ASP  47  -4.855  13.506   8.397
  287    HB3  ASP  47           1HB      ASP  47  -4.931  13.254   5.381
  288    H    TYR  48           H        TYR  48  -4.320  10.381   7.180
  289    HA   TYR  48           HA       TYR  48  -7.213   9.638   7.435
  290    HB3  TYR  48           1HB      TYR  48  -7.051   8.181   5.544
  291    HD1  TYR  48           HD1      TYR  48  -8.631  10.183   5.196
  292    HD2  TYR  48           HD2      TYR  48  -4.493  10.187   4.021
  293    HE1  TYR  48           HE1      TYR  48  -9.083  12.059   3.634
  294    HE2  TYR  48           HE2      TYR  48  -4.904  12.190   2.581
  295    HH   TYR  48           HH       TYR  48  -6.460  13.639   1.738
  296    HA   PRO  49           HA       PRO  49  -4.178   6.817   9.864
  297    HB3  PRO  49           1HB      PRO  49  -3.655   8.251  11.577
  298    HG3  PRO  49           1HG      PRO  49  -5.115  10.033  12.193
  299    HD3  PRO  49           1HD      PRO  49  -4.697  10.223   9.878
  300    H    GLU  50           H        GLU  50  -7.658   7.387   9.893
  301    HA   GLU  50           HA       GLU  50  -8.451   4.949  11.138
  302    HB3  GLU  50           1HB      GLU  50  -9.906   6.904  10.852
  303    HG3  GLU  50           1HG      GLU  50 -10.143   6.067   7.918
  304    H    VAL  51           H        VAL  51  -6.970   5.401   8.040
  305    HA   VAL  51           HA       VAL  51  -8.079   2.939   6.844
  306    HB   VAL  51           HB       VAL  51  -5.853   4.774   5.885
  307   HG11  VAL  51          1HG1      VAL  51  -7.341   2.597   4.361
  308   HG12  VAL  51          2HG1      VAL  51  -6.179   3.743   3.678
  309   HG13  VAL  51          3HG1      VAL  51  -5.631   2.553   4.843
  310   HG21  VAL  51          3HG2      VAL  51  -8.021   5.944   5.919
  311   HG22  VAL  51          1HG2      VAL  51  -7.549   5.585   4.262
  312   HG23  VAL  51          2HG2      VAL  51  -8.777   4.580   5.060
  313    H    GLY  52           H        GLY  52  -6.892   0.969   6.631
  314    HA2  GLY  52           1HA      GLY  52  -4.670   0.518   8.555
  315    HA3  GLY  52           2HA      GLY  52  -5.524  -0.721   7.613
  316    H    HIS  53           H        HIS  53  -2.573  -0.312   7.887
  317    HA   HIS  53           HA       HIS  53  -2.025  -0.190   4.955
  318    HB2  HIS  53           1HB      HIS  53  -1.317   1.929   6.314
  319    HB3  HIS  53           2HB      HIS  53  -0.035   0.906   6.949
  320    HD1  HIS  53           HD1      HIS  53   1.826   2.450   5.618
  321    HD2  HIS  53           HD2      HIS  53  -1.068   0.547   3.238
  322    HE1  HIS  53           HE1      HIS  53   2.623   2.619   3.162
  323    H    LEU  54           H        LEU  54  -1.461  -2.218   4.398
  324    HA   LEU  54           HA       LEU  54   0.259  -3.840   6.206
  325    HB3  LEU  54           1HB      LEU  54  -1.401  -4.513   3.758
  326    HG   LEU  54           HG       LEU  54   0.516  -6.024   3.703
  327   HD11  LEU  54          1HD1      LEU  54   1.298  -5.900   6.051
  328   HD12  LEU  54          2HD1      LEU  54   1.030  -7.566   5.540
  329   HD13  LEU  54          3HD1      LEU  54  -0.173  -6.762   6.581
  330   HD21  LEU  54          3HD2      LEU  54  -1.771  -6.854   3.193
  331   HD22  LEU  54          1HD2      LEU  54  -1.927  -7.401   4.871
  332   HD23  LEU  54          2HD2      LEU  54  -0.697  -8.117   3.807
  333    H    LYS  55           H        LYS  55   2.376  -3.639   5.978
  334    HA   LYS  55           HA       LYS  55   3.544  -2.694   3.406
  335    HB3  LYS  55           1HB      LYS  55   5.634  -2.643   4.745
  336    HG3  LYS  55           1HG      LYS  55   4.299  -0.612   4.423
  337    HD3  LYS  55           1HD      LYS  55   2.373  -0.933   5.820
  338    HE3  LYS  55           1HE      LYS  55   4.382  -1.162   8.104
  339    HZ1  LYS  55           3HZ      LYS  55   2.393  -1.400   9.492
  340    HZ2  LYS  55           1HZ      LYS  55   1.396  -1.171   8.216
  341    HZ3  LYS  55           2HZ      LYS  55   2.341   0.058   8.767
  342    H    VAL  56           H        VAL  56   3.713  -4.374   2.024
  343    HA   VAL  56           HA       VAL  56   4.706  -7.033   2.966
  344    HB   VAL  56           HB       VAL  56   3.828  -6.141   0.190
  345   HG11  VAL  56          1HG1      VAL  56   5.324  -8.168   0.266
  346   HG12  VAL  56          2HG1      VAL  56   4.121  -8.957   1.314
  347   HG13  VAL  56          3HG1      VAL  56   3.718  -8.509  -0.352
  348   HG21  VAL  56          3HG2      VAL  56   2.198  -7.638   2.290
  349   HG22  VAL  56          1HG2      VAL  56   1.886  -5.990   1.693
  350   HG23  VAL  56          2HG2      VAL  56   1.722  -7.363   0.604
  351    H    GLU  57           H        GLU  57   6.686  -7.478   3.027
  352    HA   GLU  57           HA       GLU  57   8.703  -5.849   1.762
  353    HB3  GLU  57           1HB      GLU  57   9.218  -8.488   3.150
  354    HG3  GLU  57           1HG      GLU  57  10.617  -5.799   3.049
  355    H    ASP  58           H        ASP  58   8.013  -6.068  -0.394
  356    HA   ASP  58           HA       ASP  58   7.872  -8.652  -1.755
  357    HB3  ASP  58           1HB      ASP  58   7.485  -5.877  -2.941
  358    H    GLY  59           H        GLY  59  10.509  -7.874  -0.853
  359    HA2  GLY  59           1HA      GLY  59  12.084  -6.759  -3.046
  360    HA3  GLY  59           2HA      GLY  59  12.674  -7.349  -1.468
  361    HA   PRO  60           HA       PRO  60  14.152 -10.951  -3.381
  362    HB3  PRO  60           1HB      PRO  60  14.678 -11.649  -1.217
  363    HG3  PRO  60           1HG      PRO  60  13.005 -11.719   0.495
  364    HD3  PRO  60           1HD      PRO  60  13.023  -9.503  -0.289
  365    H    GLY  61           H        GLY  61  12.539 -10.516  -5.098
  366    HA2  GLY  61           1HA      GLY  61  11.194 -11.384  -6.820
  367    HA3  GLY  61           2HA      GLY  61  10.898 -12.860  -5.862
  368    H    ARG  62           H        ARG  62   8.831 -11.769  -7.187
  369    HA   ARG  62           HA       ARG  62   7.309  -9.874  -5.603
  370    HB3  ARG  62           1HB      ARG  62   5.475 -10.349  -7.125
  371    HG3  ARG  62           1HG      ARG  62   6.441  -9.994  -9.348
  372    HD3  ARG  62           1HD      ARG  62   6.358  -8.023  -7.753
  373    HE   ARG  62           HE       ARG  62   8.072  -7.964  -6.247
  374   HH11  ARG  62          1HH1      ARG  62   9.571  -8.514  -9.424
  375   HH12  ARG  62          2HH1      ARG  62  11.184  -8.380  -8.793
  376   HH21  ARG  62          1HH2      ARG  62  10.165  -7.880  -5.490
  377   HH22  ARG  62          2HH2      ARG  62  11.519  -7.996  -6.577
  378    H    ARG  63           H        ARG  63   6.309 -10.228  -3.784
  379    HA   ARG  63           HA       ARG  63   5.773 -12.966  -2.791
  380    HB3  ARG  63           1HB      ARG  63   5.651 -10.323  -1.274
  381    HG3  ARG  63           1HG      ARG  63   6.334 -13.155  -0.332
  382    HD3  ARG  63           1HD      ARG  63   5.948 -12.246   1.934
  383    HE   ARG  63           HE       ARG  63   7.846 -10.244   0.867
  384   HH11  ARG  63          1HH1      ARG  63   7.585 -13.560   2.062
  385   HH12  ARG  63          2HH1      ARG  63   9.305 -13.696   2.283
  386   HH21  ARG  63          1HH2      ARG  63   9.940 -10.429   1.233
  387   HH22  ARG  63          2HH2      ARG  63  10.647 -11.903   1.872
  388    H    LEU  64           H        LEU  64   3.679 -10.826  -1.225
  389    HA   LEU  64           HA       LEU  64   1.251 -11.855  -2.334
  390    HB3  LEU  64           1HB      LEU  64   1.730  -9.317  -0.754
  391    HG   LEU  64           HG       LEU  64  -0.571  -9.509  -1.594
  392   HD11  LEU  64          1HD1      LEU  64  -0.891 -11.902  -1.880
  393   HD12  LEU  64          2HD1      LEU  64  -2.081 -11.299  -0.729
  394   HD13  LEU  64          3HD1      LEU  64  -0.645 -12.180  -0.146
  395   HD21  LEU  64          3HD2      LEU  64  -0.242 -10.025   1.383
  396   HD22  LEU  64          1HD2      LEU  64  -1.707  -9.382   0.626
  397   HD23  LEU  64          2HD2      LEU  64  -0.219  -8.448   0.568
  398    H    GLY  65           H        GLY  65   3.229  -9.056  -3.369
  399    HA2  GLY  65           1HA      GLY  65   1.303  -7.798  -5.035
  400    HA3  GLY  65           2HA      GLY  65   3.060  -7.736  -5.237
  401    H    ARG  66           H        ARG  66   2.988 -10.806  -5.549
  402    HA   ARG  66           HA       ARG  66   2.669 -11.077  -8.400
  403    HB3  ARG  66           1HB      ARG  66   2.568 -13.264  -6.275
  404    HG3  ARG  66           1HG      ARG  66   3.807 -13.271  -9.054
  405    HD3  ARG  66           1HD      ARG  66   3.912 -15.701  -8.736
  406    HE   ARG  66           HE       ARG  66   5.237 -14.116  -6.566
  407   HH11  ARG  66          1HH1      ARG  66   5.366 -17.072  -8.527
  408   HH12  ARG  66          2HH1      ARG  66   6.966 -17.454  -7.963
  409   HH21  ARG  66          1HH2      ARG  66   7.212 -14.666  -5.896
  410   HH22  ARG  66          2HH2      ARG  66   8.007 -16.112  -6.487
  411    H    SER  67           H        SER  67   0.572 -11.891  -5.596
  412    HA   SER  67           HA       SER  67  -1.536 -13.093  -7.171
  413    HB3  SER  67           1HB      SER  67  -2.750 -13.144  -5.054
  414    HG   SER  67           HG       SER  67  -1.075 -14.659  -5.083
  415    H    PHE  68           H        PHE  68  -0.851  -9.807  -6.086
  416    HA   PHE  68           HA       PHE  68  -3.441  -8.731  -6.887
  417    HB3  PHE  68           1HB      PHE  68  -2.037  -6.535  -6.498
  418    HD1  PHE  68           HD2      PHE  68  -1.388  -8.893  -3.743
  419    HD2  PHE  68           HD1      PHE  68  -4.157  -6.126  -5.466
  420    HE1  PHE  68           HE2      PHE  68  -2.653  -8.865  -1.604
  421    HE2  PHE  68           HE1      PHE  68  -5.403  -6.019  -3.322
  422    HZ   PHE  68           HZ       PHE  68  -4.662  -7.401  -1.383
  423    H    GLN  69           H        GLN  69  -0.710  -9.697  -8.665
  424    HA   GLN  69           HA       GLN  69   0.093  -9.294 -10.751
  425    HB3  GLN  69           1HB      GLN  69  -1.418  -8.750 -12.527
  426    HG3  GLN  69           1HG      GLN  69  -2.011 -10.889 -10.775
  427   HE21  GLN  69          2HE2      GLN  69  -3.598 -10.446  -9.069
  428   HE22  GLN  69          1HE2      GLN  69  -5.260 -10.105  -9.471
  429    H    VAL  70           H        VAL  70   1.020  -7.556  -8.973
  430    HA   VAL  70           HA       VAL  70   0.564  -4.785  -9.348
  431    HB   VAL  70           HB       VAL  70   2.848  -6.410  -8.223
  432   HG11  VAL  70          1HG1      VAL  70   4.035  -4.459  -8.995
  433   HG12  VAL  70          2HG1      VAL  70   2.765  -3.383  -8.384
  434   HG13  VAL  70          3HG1      VAL  70   3.784  -4.282  -7.254
  435   HG21  VAL  70          3HG2      VAL  70   2.028  -5.561  -6.114
  436   HG22  VAL  70          1HG2      VAL  70   0.894  -4.464  -6.928
  437   HG23  VAL  70          2HG2      VAL  70   0.649  -6.212  -7.009
  438    H    LYS  71           H        LYS  71   1.328  -3.241 -10.667
  439    HA   LYS  71           HA       LYS  71   2.147  -4.168 -13.279
  440    HB3  LYS  71           1HB      LYS  71   1.573  -1.936 -14.016
  441    HG3  LYS  71           1HG      LYS  71  -0.669  -1.619 -13.250
  442    HD3  LYS  71           1HD      LYS  71  -0.001  -4.589 -13.166
  443    HE3  LYS  71           1HE      LYS  71  -2.658  -3.335 -13.909
  444    HZ1  LYS  71           3HZ      LYS  71  -1.893  -6.001 -12.843
  445    HZ2  LYS  71           1HZ      LYS  71  -2.183  -5.704 -14.433
  446    HZ3  LYS  71           2HZ      LYS  71  -3.405  -5.578 -13.356
  447    H    LEU  72           H        LEU  72   3.588  -1.764 -11.074
  448    HA   LEU  72           HA       LEU  72   6.202  -1.929 -12.530
  449    HB3  LEU  72           1HB      LEU  72   5.183   0.195 -10.611
  450    HG   LEU  72           HG       LEU  72   7.719   0.168 -10.908
  451   HD11  LEU  72          1HD1      LEU  72   8.614   0.914 -13.112
  452   HD12  LEU  72          2HD1      LEU  72   7.004   0.708 -13.827
  453   HD13  LEU  72          3HD1      LEU  72   7.896  -0.700 -13.188
  454   HD21  LEU  72          3HD2      LEU  72   6.461   2.251 -10.412
  455   HD22  LEU  72          1HD2      LEU  72   6.254   2.532 -12.158
  456   HD23  LEU  72          2HD2      LEU  72   7.876   2.554 -11.424
  457    H    TRP  73           H        TRP  73   6.486  -0.701  -9.474
  458    HA   TRP  73           HA       TRP  73   6.292  -3.179  -7.966
  459    HB3  TRP  73           1HB      TRP  73   8.973  -1.793  -8.052
  460    HD1  TRP  73           HD       TRP  73   7.778  -5.393  -7.268
  461    HE1  TRP  73           HE1      TRP  73   8.637  -6.054  -4.939
  462    HE3  TRP  73           HE3      TRP  73   9.920  -0.947  -5.924
  463    HZ2  TRP  73           HZ2      TRP  73  10.465  -4.930  -2.974
  464    HZ3  TRP  73           HZ3      TRP  73  11.142  -0.752  -3.777
  465    HH2  TRP  73           HH       TRP  73  11.516  -2.735  -2.359
  466    HA   PRO  74           HA       PRO  74   6.498   0.421  -4.907
  467    HB3  PRO  74           1HB      PRO  74   8.045   2.063  -5.301
  468    HG3  PRO  74           1HG      PRO  74   8.600   2.707  -7.564
  469    HD3  PRO  74           1HD      PRO  74   8.837   0.370  -7.509
  470    H    THR  75           H        THR  75   4.431  -0.322  -4.843
  471    HA   THR  75           HA       THR  75   2.202   1.084  -6.223
  472    HB   THR  75           HB       THR  75   2.893  -1.885  -6.500
  473    HG1  THR  75           HG1      THR  75   3.609   0.192  -7.877
  474   HG21  THR  75          3HG2      THR  75   0.907  -1.891  -8.090
  475   HG22  THR  75          1HG2      THR  75   0.457  -0.312  -7.419
  476   HG23  THR  75          2HG2      THR  75   0.481  -1.750  -6.380
  477    H    PHE  76           H        PHE  76   0.365   0.980  -5.103
  478    HA   PHE  76           HA       PHE  76   0.086  -0.914  -2.884
  479    HB3  PHE  76           1HB      PHE  76   0.899   0.727  -1.489
  480    HD1  PHE  76           HD1      PHE  76   2.651   1.859  -2.820
  481    HD2  PHE  76           HD2      PHE  76  -1.401   3.292  -2.486
  482    HE1  PHE  76           HE1      PHE  76   3.374   4.074  -3.715
  483    HE2  PHE  76           HE2      PHE  76  -0.670   5.498  -3.284
  484    HZ   PHE  76           HZ       PHE  76   1.686   5.876  -3.983
  485    H    VAL  77           H        VAL  77  -1.833  -1.708  -2.684
  486    HA   VAL  77           HA       VAL  77  -3.993  -0.784  -4.524
  487    HB   VAL  77           HB       VAL  77  -3.494  -3.526  -3.278
  488   HG11  VAL  77          1HG1      VAL  77  -5.892  -3.210  -3.584
  489   HG12  VAL  77          2HG1      VAL  77  -5.639  -2.554  -5.217
  490   HG13  VAL  77          3HG1      VAL  77  -5.309  -4.256  -4.891
  491   HG21  VAL  77          3HG2      VAL  77  -2.885  -4.232  -5.527
  492   HG22  VAL  77          1HG2      VAL  77  -3.274  -2.651  -6.193
  493   HG23  VAL  77          2HG2      VAL  77  -1.883  -2.844  -5.135
  494    H    PHE  78           H        PHE  78  -5.804   0.023  -3.741
  495    HA   PHE  78           HA       PHE  78  -6.221   0.125  -0.796
  496    HB3  PHE  78           1HB      PHE  78  -8.003   1.752  -1.366
  497    HD1  PHE  78           HD2      PHE  78  -5.225   2.176  -3.843
  498    HD2  PHE  78           HD1      PHE  78  -6.822   3.410  -0.029
  499    HE1  PHE  78           HE2      PHE  78  -3.438   3.880  -3.631
  500    HE2  PHE  78           HE1      PHE  78  -5.060   5.181   0.104
  501    HZ   PHE  78           HZ       PHE  78  -3.400   5.410  -1.732
  502    H    LEU  79           H        LEU  79  -7.300  -1.504   0.076
  503    HA   LEU  79           HA       LEU  79  -9.510  -2.821  -1.417
  504    HB3  LEU  79           1HB      LEU  79  -9.488  -4.505   0.370
  505    HG   LEU  79           HG       LEU  79  -6.650  -4.165  -0.559
  506   HD11  LEU  79          1HD1      LEU  79  -7.068  -5.900   1.186
  507   HD12  LEU  79          2HD1      LEU  79  -6.647  -6.659  -0.374
  508   HD13  LEU  79          3HD1      LEU  79  -8.338  -6.603   0.145
  509   HD21  LEU  79          3HD2      LEU  79  -8.969  -5.448  -2.005
  510   HD22  LEU  79          1HD2      LEU  79  -7.294  -5.750  -2.437
  511   HD23  LEU  79          2HD2      LEU  79  -7.923  -4.112  -2.585
  512    H    ARG  80           H        ARG  80 -11.399  -3.174  -0.334
  513    HA   ARG  80           HA       ARG  80 -12.138  -2.218   2.269
  514    HB3  ARG  80           1HB      ARG  80 -13.669  -0.784   0.081
  515    HG3  ARG  80           1HG      ARG  80 -13.226  -0.299   3.054
  516    HD3  ARG  80           1HD      ARG  80 -14.733   1.439   1.054
  517    HE   ARG  80           HE       ARG  80 -15.353   1.273   3.636
  518   HH11  ARG  80          1HH1      ARG  80 -13.489   3.913   2.088
  519   HH12  ARG  80          2HH1      ARG  80 -14.025   5.046   3.286
  520   HH21  ARG  80          1HH2      ARG  80 -15.936   2.816   5.118
  521   HH22  ARG  80          2HH2      ARG  80 -15.345   4.447   4.959
  522    H    ASP  81           H        ASP  81 -13.863  -3.472   2.975
  523    HA   ASP  81           HA       ASP  81 -15.071  -5.400   3.042
  524    HB3  ASP  81           1HB      ASP  81 -15.696  -5.175   0.092
  525    H    GLY  82           H        GLY  82 -12.220  -5.450   2.597
  526    HA2  GLY  82           1HA      GLY  82 -10.427  -6.724   1.894
  527    HA3  GLY  82           2HA      GLY  82 -11.564  -8.093   1.813
  528    H    ARG  83           H        ARG  83 -12.145  -5.364  -0.289
  529    HA   ARG  83           HA       ARG  83 -11.269  -6.934  -2.681
  530    HB3  ARG  83           1HB      ARG  83 -13.539  -6.071  -3.625
  531    HG3  ARG  83           1HG      ARG  83 -13.107  -8.295  -1.635
  532    HD3  ARG  83           1HD      ARG  83 -15.760  -7.671  -2.986
  533    HE   ARG  83           HE       ARG  83 -15.976  -9.943  -2.889
  534   HH11  ARG  83          1HH1      ARG  83 -14.261  -9.072   0.123
  535   HH12  ARG  83          2HH1      ARG  83 -13.918 -10.761   0.460
  536   HH21  ARG  83          1HH2      ARG  83 -15.544 -12.074  -2.259
  537   HH22  ARG  83          2HH2      ARG  83 -14.526 -12.342  -0.855
  538    H    GLU  84           H        GLU  84 -10.493  -5.796  -4.314
  539    HA   GLU  84           HA       GLU  84  -9.386  -3.261  -3.796
  540    HB3  GLU  84           1HB      GLU  84  -9.637  -4.754  -6.409
  541    HG3  GLU  84           1HG      GLU  84  -7.958  -2.336  -5.687
  542    H    VAL  85           H        VAL  85 -10.224  -1.409  -3.601
  543    HA   VAL  85           HA       VAL  85 -12.540  -0.512  -5.246
  544    HB   VAL  85           HB       VAL  85 -12.511   1.506  -3.779
  545   HG11  VAL  85          1HG1      VAL  85 -13.626   0.433  -1.926
  546   HG12  VAL  85          2HG1      VAL  85 -14.021  -0.432  -3.411
  547   HG13  VAL  85          3HG1      VAL  85 -12.829  -1.129  -2.291
  548   HG21  VAL  85          3HG2      VAL  85 -11.300   1.559  -1.703
  549   HG22  VAL  85          1HG2      VAL  85 -10.658  -0.071  -1.938
  550   HG23  VAL  85          2HG2      VAL  85 -10.095   1.263  -2.958
  551    H    ALA  86           H        ALA  86  -9.097  -0.155  -4.936
  552    HA   ALA  86           HA       ALA  86  -8.761   1.156  -7.456
  553    HB1  ALA  86           3HB      ALA  86  -7.763   3.289  -6.532
  554    HB2  ALA  86           1HB      ALA  86  -9.496   3.177  -6.222
  555    HB3  ALA  86           2HB      ALA  86  -8.318   2.802  -4.927
  556    H    ARG  87           H        ARG  87  -6.391   1.930  -7.620
  557    HA   ARG  87           HA       ARG  87  -4.602   1.170  -5.505
  558    HB3  ARG  87           1HB      ARG  87  -4.716  -0.963  -6.664
  559    HG3  ARG  87           1HG      ARG  87  -3.555   0.566  -9.046
  560    HD3  ARG  87           1HD      ARG  87  -2.434  -1.587  -8.325
  561    HE   ARG  87           HE       ARG  87  -5.101  -2.643  -8.560
  562   HH11  ARG  87          1HH1      ARG  87  -1.774  -3.602  -9.429
  563   HH12  ARG  87          2HH1      ARG  87  -2.197  -5.300  -9.356
  564   HH21  ARG  87          1HH2      ARG  87  -5.463  -4.820  -8.345
  565   HH22  ARG  87          2HH2      ARG  87  -4.192  -5.963  -8.782
  566    H    VAL  88           H        VAL  88  -2.550   2.119  -5.724
  567    HA   VAL  88           HA       VAL  88  -2.261   4.197  -7.897
  568    HB   VAL  88           HB       VAL  88  -1.585   4.381  -4.978
  569   HG11  VAL  88          1HG1      VAL  88   0.268   5.443  -6.194
  570   HG12  VAL  88          2HG1      VAL  88  -0.878   6.340  -7.214
  571   HG13  VAL  88          3HG1      VAL  88  -0.728   6.717  -5.486
  572   HG21  VAL  88          3HG2      VAL  88  -3.041   6.234  -4.749
  573   HG22  VAL  88          1HG2      VAL  88  -3.341   6.303  -6.514
  574   HG23  VAL  88          2HG2      VAL  88  -3.955   4.953  -5.544
  575    H    VAL  89           H        VAL  89  -0.300   4.243  -8.863
  576    HA   VAL  89           HA       VAL  89   1.958   2.631  -7.827
  577    HB   VAL  89           HB       VAL  89   1.009   1.060  -9.295
  578   HG11  VAL  89          1HG1      VAL  89   0.371   1.456 -11.645
  579   HG12  VAL  89          2HG1      VAL  89  -0.629   2.369 -10.515
  580   HG13  VAL  89          3HG1      VAL  89   0.658   3.194 -11.422
  581   HG21  VAL  89          3HG2      VAL  89   3.491   1.513  -9.635
  582   HG22  VAL  89          1HG2      VAL  89   2.665   0.714 -10.988
  583   HG23  VAL  89          2HG2      VAL  89   3.059   2.446 -11.079
  584    H    ARG  90           H        ARG  90   3.913   3.506  -8.185
  585    HA   ARG  90           HA       ARG  90   5.466   5.099  -8.549
  586    HB3  ARG  90           1HB      ARG  90   4.069   5.645 -11.195
  587    HG3  ARG  90           1HG      ARG  90   7.027   5.474 -10.425
  588    HD3  ARG  90           1HD      ARG  90   5.613   6.367 -12.989
  589    HE   ARG  90           HE       ARG  90   8.241   6.972 -12.067
  590   HH11  ARG  90          1HH1      ARG  90   6.750   5.675 -15.013
  591   HH12  ARG  90          2HH1      ARG  90   8.018   6.310 -16.024
  592   HH21  ARG  90          1HH2      ARG  90   9.834   7.724 -13.428
  593   HH22  ARG  90          2HH2      ARG  90   9.731   7.437 -15.139
  594    HA   PRO  91           HA       PRO  91   2.269   8.393  -7.181
  595    HB3  PRO  91           1HB      PRO  91   2.251   7.708  -5.061
  596    HG3  PRO  91           1HG      PRO  91   4.090   6.559  -4.072
  597    HD3  PRO  91           1HD      PRO  91   3.554   5.379  -6.073
  598    H    GLY  92           H        GLY  92   2.620  10.279  -8.306
  599    HA2  GLY  92           1HA      GLY  92   5.293  11.187  -8.984
  600    HA3  GLY  92           2HA      GLY  92   3.742  11.919  -9.465
  601    H    SER  93           H        SER  93   2.885  12.234  -6.665
  602    HA   SER  93           HA       SER  93   4.643  13.768  -5.060
  603    HB3  SER  93           1HB      SER  93   2.628  15.494  -6.552
  604    HG   SER  93           HG       SER  93   3.873  17.164  -5.510
  605    H    ALA  94           H        ALA  94   3.402  14.770  -3.211
  606    HA   ALA  94           HA       ALA  94   1.483  13.005  -2.103
  607    HB1  ALA  94           3HB      ALA  94   2.053  15.947  -1.485
  608    HB2  ALA  94           1HB      ALA  94   1.231  14.796  -0.407
  609    HB3  ALA  94           2HB      ALA  94   2.939  14.561  -0.810
  610    H    SER  95           H        SER  95   0.913  15.922  -4.102
  611    HA   SER  95           HA       SER  95  -1.894  16.162  -3.732
  612    HB3  SER  95           1HB      SER  95  -0.651  17.817  -4.923
  613    HG   SER  95           HG       SER  95   0.246  17.325  -7.011
  614    H    VAL  96           H        VAL  96  -0.082  13.846  -5.759
  615    HA   VAL  96           HA       VAL  96  -2.477  12.813  -7.106
  616    HB   VAL  96           HB       VAL  96   0.369  11.691  -7.001
  617   HG11  VAL  96          1HG1      VAL  96  -1.933  11.100  -8.899
  618   HG12  VAL  96          2HG1      VAL  96  -0.255  10.537  -9.104
  619   HG13  VAL  96          3HG1      VAL  96  -1.208   9.979  -7.722
  620   HG21  VAL  96          3HG2      VAL  96  -0.907  13.544  -9.065
  621   HG22  VAL  96          1HG2      VAL  96   0.452  13.935  -7.990
  622   HG23  VAL  96          2HG2      VAL  96   0.666  12.726  -9.248
  623    H    LEU  97           H        LEU  97  -0.309  11.794  -4.439
  624    HA   LEU  97           HA       LEU  97  -1.660   9.265  -4.019
  625    HB3  LEU  97           1HB      LEU  97  -0.227  10.353  -1.703
  626    HG   LEU  97           HG       LEU  97   0.427   8.113  -3.712
  627   HD11  LEU  97          1HD1      LEU  97   1.569   8.619  -0.946
  628   HD12  LEU  97          2HD1      LEU  97   2.402   8.745  -2.523
  629   HD13  LEU  97          3HD1      LEU  97   1.826   7.179  -1.975
  630   HD21  LEU  97          3HD2      LEU  97  -0.454   6.768  -1.567
  631   HD22  LEU  97          1HD2      LEU  97  -1.610   7.435  -2.732
  632   HD23  LEU  97          2HD2      LEU  97  -1.281   8.288  -1.231
  633    H    GLU  98           H        GLU  98  -1.827  12.380  -2.259
  634    HA   GLU  98           HA       GLU  98  -3.922  11.759  -0.505
  635    HB3  GLU  98           1HB      GLU  98  -4.399  14.242  -0.564
  636    HG3  GLU  98           1HG      GLU  98  -1.430  13.558  -0.265
  637    H    GLU  99           H        GLU  99  -4.160  12.963  -3.887
  638    HA   GLU  99           HA       GLU  99  -6.942  13.310  -4.058
  639    HB3  GLU  99           1HB      GLU  99  -4.842  12.483  -6.083
  640    HG3  GLU  99           1HG      GLU  99  -7.768  13.018  -6.590
  641    H    ALA 100           H        ALA 100  -5.044  10.317  -4.302
  642    HA   ALA 100           HA       ALA 100  -7.402   8.692  -4.953
  643    HB1  ALA 100           3HB      ALA 100  -4.585   7.920  -4.098
  644    HB2  ALA 100           1HB      ALA 100  -5.839   6.808  -4.705
  645    HB3  ALA 100           2HB      ALA 100  -5.191   8.075  -5.773
  646    H    PHE 101           H        PHE 101  -5.395   9.279  -1.995
  647    HA   PHE 101           HA       PHE 101  -6.723   7.480  -0.283
  648    HB3  PHE 101           1HB      PHE 101  -6.110   9.476   1.400
  649    HD1  PHE 101           HD1      PHE 101  -3.553   7.803  -0.915
  650    HD2  PHE 101           HD2      PHE 101  -5.443   7.909   2.986
  651    HE1  PHE 101           HE1      PHE 101  -1.943   6.187  -0.061
  652    HE2  PHE 101           HE2      PHE 101  -3.801   6.256   3.811
  653    HZ   PHE 101           HZ       PHE 101  -2.031   5.395   2.249
  654    H    GLU 102           H        GLU 102  -7.497  10.963  -0.799
  655    HA   GLU 102           HA       GLU 102  -9.766  11.069   0.878
  656    HB3  GLU 102           1HB      GLU 102  -8.811  13.088   0.108
  657    HG3  GLU 102           1HG      GLU 102  -8.580  12.019  -2.438
  658    H    SER 103           H        SER 103  -9.496   9.906  -2.462
  659    HA   SER 103           HA       SER 103 -12.342   9.846  -2.941
  660    HB3  SER 103           1HB      SER 103 -10.109   8.400  -4.396
  661    HG   SER 103           HG       SER 103 -11.611   8.600  -6.154
  662    H    LEU 104           H        LEU 104 -10.003   7.559  -1.606
  663    HA   LEU 104           HA       LEU 104 -11.980   5.316  -1.731
  664    HB3  LEU 104           1HB      LEU 104 -10.026   3.970  -0.858
  665    HG   LEU 104           HG       LEU 104  -9.094   3.489  -2.860
  666   HD11  LEU 104          1HD1      LEU 104 -10.774   3.513  -4.540
  667   HD12  LEU 104          2HD1      LEU 104 -11.475   5.026  -3.938
  668   HD13  LEU 104          3HD1      LEU 104 -11.643   3.522  -3.006
  669   HD21  LEU 104          3HD2      LEU 104  -8.664   5.029  -4.735
  670   HD22  LEU 104          1HD2      LEU 104  -7.905   5.595  -3.252
  671   HD23  LEU 104          2HD2      LEU 104  -9.431   6.336  -3.860
  672    H    VAL 105           H        VAL 105 -10.447   7.403   0.626
  673    HA   VAL 105           HA       VAL 105 -11.581   6.031   2.906
  674    HB   VAL 105           HB       VAL 105  -9.625   7.812   2.710
  675   HG11  VAL 105          1HG1      VAL 105 -11.072   9.698   1.979
  676   HG12  VAL 105          2HG1      VAL 105 -11.917   9.619   3.542
  677   HG13  VAL 105          3HG1      VAL 105 -10.208  10.026   3.497
  678   HG21  VAL 105          3HG2      VAL 105 -10.247   6.489   4.672
  679   HG22  VAL 105          1HG2      VAL 105  -9.652   8.101   5.050
  680   HG23  VAL 105          2HG2      VAL 105 -11.402   7.758   5.150
  681    H    GLY 106           H        GLY 106 -12.750   8.470   0.629
  682    HA2  GLY 106           1HA      GLY 106 -15.001   8.840   0.100
  683    HA3  GLY 106           2HA      GLY 106 -15.506   8.273   1.707
  684    H    GLU 107           H        GLU 107 -12.948  10.683   1.349
  685    HA   GLU 107           HA       GLU 107 -14.621  12.590   2.898
  686    HB3  GLU 107           1HB      GLU 107 -12.226  13.788   2.912
  687    HG3  GLU 107           1HG      GLU 107 -11.545  12.336   4.865
  688    H    GLY 108           H        GLY 108 -13.298  12.335  -0.334
  689    HA2  GLY 108           1HA      GLY 108 -13.766  13.600  -2.209
  690    HA3  GLY 108           2HA      GLY 108 -14.893  14.563  -1.240
  Start of MODEL   13
    1    H1   MET   1           H        MET   1  12.343   6.859   3.654
    2    HA   MET   1           HA       MET   1  13.054   4.678   5.034
    3    HB3  MET   1           1HB      MET   1  14.581   6.500   4.449
    4    HG3  MET   1           1HG      MET   1  13.558   7.889   6.965
    5    HE1  MET   1           3HE      MET   1  14.103  10.810   5.984
    6    HE2  MET   1           1HE      MET   1  14.412  10.242   7.644
    7    HE3  MET   1           2HE      MET   1  15.668  11.142   6.747
    8    H    LYS   2           H        LYS   2  10.702   6.775   6.309
    9    HA   LYS   2           HA       LYS   2  11.110   6.297   9.135
   10    HB3  LYS   2           1HB      LYS   2   8.673   7.262   7.572
   11    HG3  LYS   2           1HG      LYS   2   8.084   6.720   9.948
   12    HD3  LYS   2           1HD      LYS   2  10.174   8.846  10.593
   13    HE3  LYS   2           1HE      LYS   2   8.168   7.387  12.376
   14    HZ1  LYS   2           3HZ      LYS   2  10.251   7.927  13.514
   15    HZ2  LYS   2           1HZ      LYS   2   9.062   8.886  14.077
   16    HZ3  LYS   2           2HZ      LYS   2  10.172   9.489  13.041
   17    H    THR   3           H        THR   3   9.019   4.817   6.691
   18    HA   THR   3           HA       THR   3   7.608   3.025   8.446
   19    HB   THR   3           HB       THR   3   7.890   2.571   5.476
   20    HG1  THR   3           HG1      THR   3   6.225   4.241   5.282
   21   HG21  THR   3          3HG2      THR   3   6.291   1.122   6.665
   22   HG22  THR   3          1HG2      THR   3   5.420   2.257   5.637
   23   HG23  THR   3          2HG2      THR   3   5.507   2.538   7.390
   24    H    ARG   4           H        ARG   4   7.600   0.622   7.899
   25    HA   ARG   4           HA       ARG   4  10.108  -0.612   7.050
   26    HB3  ARG   4           1HB      ARG   4  10.654  -0.225   9.304
   27    HG3  ARG   4           1HG      ARG   4   8.582  -2.084  10.415
   28    HD3  ARG   4           1HD      ARG   4  10.542  -0.989  11.610
   29    HE   ARG   4           HE       ARG   4   9.352   1.423  10.661
   30   HH11  ARG   4          1HH1      ARG   4  10.731   0.241  13.696
   31   HH12  ARG   4          2HH1      ARG   4  11.240   1.830  14.184
   32   HH21  ARG   4          1HH2      ARG   4  10.109   3.435  11.309
   33   HH22  ARG   4          2HH2      ARG   4  10.885   3.603  12.858
   34    H    TYR   5           H        TYR   5   9.926  -2.860   6.685
   35    HA   TYR   5           HA       TYR   5   7.170  -3.572   5.789
   36    HB3  TYR   5           1HB      TYR   5   8.677  -5.011   4.158
   37    HD1  TYR   5           HD1      TYR   5   9.331  -1.313   4.506
   38    HD2  TYR   5           HD2      TYR   5   7.286  -4.479   2.433
   39    HE1  TYR   5           HE1      TYR   5   8.392   0.350   2.906
   40    HE2  TYR   5           HE2      TYR   5   6.338  -2.807   0.826
   41    HH   TYR   5           HH       TYR   5   6.419  -0.593   0.097
   42    H    SER   6           H        SER   6   6.672  -5.898   5.425
   43    HA   SER   6           HA       SER   6   8.146  -7.733   7.251
   44    HB3  SER   6           1HB      SER   6   5.128  -7.529   7.036
   45    HG   SER   6           HG       SER   6   5.365  -8.932   8.956
   46    H    ALA   7           H        ALA   7   8.584  -9.679   6.512
   47    HA   ALA   7           HA       ALA   7   7.592 -10.631   3.916
   48    HB1  ALA   7           3HB      ALA   7   9.204 -12.443   4.335
   49    HB2  ALA   7           1HB      ALA   7   9.970 -10.873   4.651
   50    HB3  ALA   7           2HB      ALA   7   9.429 -11.902   5.998
   51    H    GLU   8           H        GLU   8   6.371 -10.758   7.099
   52    HA   GLU   8           HA       GLU   8   5.331 -13.502   6.930
   53    HB3  GLU   8           1HB      GLU   8   4.661 -13.146   9.264
   54    HG3  GLU   8           1HG      GLU   8   7.490 -12.128   8.843
   55    H    ALA   9           H        ALA   9   4.293 -11.356   5.155
   56    HA   ALA   9           HA       ALA   9   1.661 -10.583   5.962
   57    HB1  ALA   9           3HB      ALA   9   2.815  -9.319   4.275
   58    HB2  ALA   9           1HB      ALA   9   3.030 -10.727   3.231
   59    HB3  ALA   9           2HB      ALA   9   1.407 -10.074   3.479
   60    HA   PRO  10           HA       PRO  10  -0.836 -14.135   5.141
   61    HB3  PRO  10           1HB      PRO  10  -2.609 -12.872   5.927
   62    HG3  PRO  10           1HG      PRO  10  -2.890 -10.544   5.241
   63    HD3  PRO  10           1HD      PRO  10  -0.770 -10.853   6.288
   64    H    ALA  11           H        ALA  11  -1.895 -15.406   3.480
   65    HA   ALA  11           HA       ALA  11  -1.048 -14.935   0.702
   66    HB1  ALA  11           3HB      ALA  11  -2.952 -16.992   1.917
   67    HB2  ALA  11           1HB      ALA  11  -2.290 -17.038   0.269
   68    HB3  ALA  11           2HB      ALA  11  -1.215 -17.225   1.668
   69    H    ARG  12           H        ARG  12  -2.676 -14.842  -1.090
   70    HA   ARG  12           HA       ARG  12  -4.237 -12.535  -0.797
   71    HB3  ARG  12           1HB      ARG  12  -5.061 -14.353  -3.010
   72    HG3  ARG  12           1HG      ARG  12  -4.462 -12.476  -4.433
   73    HD3  ARG  12           1HD      ARG  12  -5.733 -10.552  -3.570
   74    HE   ARG  12           HE       ARG  12  -6.872 -12.978  -4.114
   75   HH11  ARG  12          1HH1      ARG  12  -7.779 -10.373  -1.861
   76   HH12  ARG  12          2HH1      ARG  12  -9.465 -10.846  -1.937
   77   HH21  ARG  12          1HH2      ARG  12  -9.116 -13.436  -4.105
   78   HH22  ARG  12          2HH2      ARG  12 -10.157 -12.445  -3.105
   79    H    ASP  13           H        ASP  13  -5.282 -15.942  -0.555
   80    HA   ASP  13           HA       ASP  13  -8.092 -15.372  -0.330
   81    HB3  ASP  13           1HB      ASP  13  -6.508 -17.780   0.632
   82    H    GLU  14           H        GLU  14  -5.490 -15.699   2.119
   83    HA   GLU  14           HA       GLU  14  -7.226 -15.605   4.442
   84    HB3  GLU  14           1HB      GLU  14  -5.083 -15.046   5.604
   85    HG3  GLU  14           1HG      GLU  14  -4.758 -17.324   3.617
   86    H    LEU  15           H        LEU  15  -5.622 -13.229   2.405
   87    HA   LEU  15           HA       LEU  15  -6.222 -10.833   3.934
   88    HB3  LEU  15           1HB      LEU  15  -5.248 -11.443   1.103
   89    HG   LEU  15           HG       LEU  15  -5.347  -8.811   2.603
   90   HD11  LEU  15          1HD1      LEU  15  -3.504  -8.013   1.127
   91   HD12  LEU  15          2HD1      LEU  15  -3.245  -9.680   0.566
   92   HD13  LEU  15          3HD1      LEU  15  -2.967  -9.248   2.266
   93   HD21  LEU  15          3HD2      LEU  15  -5.709  -7.960   0.296
   94   HD22  LEU  15          1HD2      LEU  15  -6.965  -9.105   0.756
   95   HD23  LEU  15          2HD2      LEU  15  -5.648  -9.605  -0.345
   96    H    ASP  16           H        ASP  16  -7.875 -12.606   1.313
   97    HA   ASP  16           HA       ASP  16  -9.844 -10.700   0.628
   98    HB3  ASP  16           1HB      ASP  16 -10.288 -13.701   0.796
   99    H    ARG  17           H        ARG  17  -9.494 -12.481   3.573
  100    HA   ARG  17           HA       ARG  17 -12.257 -12.410   4.470
  101    HB3  ARG  17           1HB      ARG  17 -11.368 -13.133   6.599
  102    HG3  ARG  17           1HG      ARG  17 -10.094 -15.146   6.056
  103    HD3  ARG  17           1HD      ARG  17 -12.195 -14.719   3.900
  104    HE   ARG  17           HE       ARG  17 -11.580 -17.285   5.280
  105   HH11  ARG  17          1HH1      ARG  17 -11.415 -15.513   2.215
  106   HH12  ARG  17          2HH1      ARG  17 -10.756 -16.894   1.370
  107   HH21  ARG  17          1HH2      ARG  17 -10.679 -18.977   4.120
  108   HH22  ARG  17          2HH2      ARG  17 -10.220 -18.727   2.459
  109    H    LEU  18           H        LEU  18  -9.764  -9.986   4.272
  110    HA   LEU  18           HA       LEU  18 -10.553  -8.516   6.626
  111    HB3  LEU  18           1HB      LEU  18  -8.356  -8.326   5.506
  112    HG   LEU  18           HG       LEU  18  -9.200  -7.737   3.115
  113   HD11  LEU  18          1HD1      LEU  18  -9.500  -5.015   4.454
  114   HD12  LEU  18          2HD1      LEU  18 -10.745  -5.878   3.522
  115   HD13  LEU  18          3HD1      LEU  18  -9.327  -5.240   2.711
  116   HD21  LEU  18          3HD2      LEU  18  -6.838  -7.622   3.900
  117   HD22  LEU  18          1HD2      LEU  18  -7.128  -5.985   4.493
  118   HD23  LEU  18          2HD2      LEU  18  -7.203  -6.338   2.743
  119    H    ALA  19           H        ALA  19 -11.522  -6.325   6.671
  120    HA   ALA  19           HA       ALA  19 -13.656  -5.904   4.606
  121    HB1  ALA  19           3HB      ALA  19 -14.122  -6.077   7.616
  122    HB2  ALA  19           1HB      ALA  19 -15.338  -5.713   6.361
  123    HB3  ALA  19           2HB      ALA  19 -14.581  -7.312   6.429
  124    H    GLY  20           H        GLY  20 -11.634  -4.389   7.111
  125    HA2  GLY  20           1HA      GLY  20 -12.924  -1.785   6.786
  126    HA3  GLY  20           2HA      GLY  20 -11.443  -2.127   7.711
  127    HA   PRO  21           HA       PRO  21 -10.384   0.036   3.567
  128    HB3  PRO  21           1HB      PRO  21 -10.304   2.354   3.840
  129    HG3  PRO  21           1HG      PRO  21 -12.476   1.915   4.676
  130    HD3  PRO  21           1HD      PRO  21 -12.830   0.330   6.370
  131    H    THR  22           H        THR  22  -8.532  -1.037   3.087
  132    HA   THR  22           HA       THR  22  -6.166  -0.863   4.926
  133    HB   THR  22           HB       THR  22  -7.141  -3.432   3.609
  134    HG1  THR  22           HG1      THR  22  -8.415  -2.821   5.376
  135   HG21  THR  22          3HG2      THR  22  -4.706  -3.403   3.842
  136   HG22  THR  22          1HG2      THR  22  -5.383  -4.443   5.088
  137   HG23  THR  22          2HG2      THR  22  -4.835  -2.807   5.506
  138    H    LEU  23           H        LEU  23  -4.499  -0.098   3.863
  139    HA   LEU  23           HA       LEU  23  -4.334  -0.325   0.928
  140    HB3  LEU  23           1HB      LEU  23  -2.632   1.179   2.957
  141    HG   LEU  23           HG       LEU  23  -1.392   0.833   0.853
  142   HD11  LEU  23          1HD1      LEU  23  -2.552   2.055  -1.218
  143   HD12  LEU  23          2HD1      LEU  23  -4.016   1.612  -0.347
  144   HD13  LEU  23          3HD1      LEU  23  -2.850   0.362  -0.816
  145   HD21  LEU  23          3HD2      LEU  23  -1.177   2.975   2.021
  146   HD22  LEU  23          1HD2      LEU  23  -2.501   3.637   1.021
  147   HD23  LEU  23          2HD2      LEU  23  -0.967   3.133   0.268
  148    H    VAL  24           H        VAL  24  -3.243  -1.951   0.021
  149    HA   VAL  24           HA       VAL  24  -1.195  -3.446   1.607
  150    HB   VAL  24           HB       VAL  24  -2.462  -4.357  -1.001
  151   HG11  VAL  24          1HG1      VAL  24  -1.641  -6.571  -0.295
  152   HG12  VAL  24          2HG1      VAL  24  -0.291  -5.430  -0.331
  153   HG13  VAL  24          3HG1      VAL  24  -1.016  -5.884   1.221
  154   HG21  VAL  24          3HG2      VAL  24  -4.289  -4.136   0.617
  155   HG22  VAL  24          1HG2      VAL  24  -3.924  -5.827   0.322
  156   HG23  VAL  24          2HG2      VAL  24  -3.357  -5.059   1.827
  157    H    GLU  25           H        GLU  25   0.763  -2.875   1.371
  158    HA   GLU  25           HA       GLU  25   1.673  -1.358  -1.031
  159    HB3  GLU  25           1HB      GLU  25   2.215  -1.298   1.950
  160    HG3  GLU  25           1HG      GLU  25   4.472  -1.163   0.893
  161    H    PHE  26           H        PHE  26   3.255  -2.131  -2.263
  162    HA   PHE  26           HA       PHE  26   4.684  -4.613  -1.423
  163    HB3  PHE  26           1HB      PHE  26   4.806  -5.075  -3.846
  164    HD1  PHE  26           HD1      PHE  26   3.699  -6.914  -2.513
  165    HD2  PHE  26           HD2      PHE  26   1.500  -3.535  -4.040
  166    HE1  PHE  26           HE1      PHE  26   1.562  -8.121  -2.138
  167    HE2  PHE  26           HE2      PHE  26  -0.632  -4.749  -3.652
  168    HZ   PHE  26           HZ       PHE  26  -0.594  -7.027  -2.657
  169    H    GLY  27           H        GLY  27   6.836  -4.531  -1.185
  170    HA2  GLY  27           1HA      GLY  27   8.765  -3.277  -2.722
  171    HA3  GLY  27           2HA      GLY  27   8.288  -2.054  -1.565
  172    H    THR  28           H        THR  28  10.332  -2.077  -0.530
  173    HA   THR  28           HA       THR  28  10.606  -4.079   1.614
  174    HB   THR  28           HB       THR  28  13.031  -4.346   1.298
  175    HG1  THR  28           HG1      THR  28  13.898  -3.673  -0.735
  176   HG21  THR  28          3HG2      THR  28  13.067  -5.878  -0.540
  177   HG22  THR  28          1HG2      THR  28  11.644  -5.127  -1.285
  178   HG23  THR  28          2HG2      THR  28  11.496  -6.009   0.250
  179    H    ASP  29           H        ASP  29  12.546  -3.215   3.105
  180    HA   ASP  29           HA       ASP  29  11.853  -0.400   3.669
  181    HB3  ASP  29           1HB      ASP  29  11.879  -2.020   5.497
  182    H    TRP  30           H        TRP  30  14.034  -1.895   1.656
  183    HA   TRP  30           HA       TRP  30  16.216   0.095   2.111
  184    HB3  TRP  30           1HB      TRP  30  16.896  -1.965   2.973
  185    HD1  TRP  30           HD       TRP  30  15.581  -4.133   3.322
  186    HE1  TRP  30           HE1      TRP  30  15.106  -6.240   1.951
  187    HE3  TRP  30           HE3      TRP  30  17.315  -2.528  -1.216
  188    HZ2  TRP  30           HZ2      TRP  30  15.375  -7.095  -0.788
  189    HZ3  TRP  30           HZ3      TRP  30  17.197  -4.010  -3.183
  190    HH2  TRP  30           HH       TRP  30  16.217  -6.291  -3.006
  191    H    CYS  31           H        CYS  31  14.121  -1.098  -0.462
  192    HA   CYS  31           HA       CYS  31  15.936  -0.486  -2.623
  193    HB2  CYS  31           1HB      CYS  31  13.976  -1.926  -2.904
  194    HB3  CYS  31           2HB      CYS  31  12.904  -0.561  -2.558
  195    H    GLY  32           H        GLY  32  16.081   1.341  -3.933
  196    HA2  GLY  32           1HA      GLY  32  15.866   3.953  -2.728
  197    HA3  GLY  32           2HA      GLY  32  16.258   3.593  -4.418
  198    H    HIS  33           H        HIS  33  13.633   2.117  -4.830
  199    HA   HIS  33           HA       HIS  33  11.814   4.281  -5.426
  200    HB2  HIS  33           1HB      HIS  33  11.256   1.326  -4.838
  201    HB3  HIS  33           2HB      HIS  33  10.147   2.477  -5.562
  202    HD1  HIS  33           HD1      HIS  33  12.539  -0.109  -6.535
  203    HD2  HIS  33           HD2      HIS  33  10.983   3.460  -8.087
  204    HE1  HIS  33           HE1      HIS  33  12.622  -0.341  -9.091
  205    H    CYS  34           H        CYS  34  12.007   1.949  -2.740
  206    HA   CYS  34           HA       CYS  34   9.779   2.983  -1.260
  207    HB3  CYS  34           1HB      CYS  34  11.121   1.661   0.604
  208    HG   CYS  34           HG       CYS  34   9.884  -0.412   0.116
  209    H    GLN  35           H        GLN  35  13.230   3.883  -1.206
  210    HA   GLN  35           HA       GLN  35  12.980   5.292   1.304
  211    HB3  GLN  35           1HB      GLN  35  15.078   6.418   0.722
  212    HG3  GLN  35           1HG      GLN  35  16.548   4.626   0.433
  213   HE21  GLN  35          2HE2      GLN  35  14.389   2.045   0.448
  214   HE22  GLN  35          1HE2      GLN  35  14.371   1.838   2.214
  215    H    ALA  36           H        ALA  36  12.024   6.088  -1.886
  216    HA   ALA  36           HA       ALA  36  11.492   8.935  -1.311
  217    HB1  ALA  36           3HB      ALA  36  11.076   7.251  -3.817
  218    HB2  ALA  36           1HB      ALA  36  10.894   9.001  -3.699
  219    HB3  ALA  36           2HB      ALA  36  12.493   8.262  -3.466
  220    H    ALA  37           H        ALA  37   9.659   5.885  -1.873
  221    HA   ALA  37           HA       ALA  37   7.089   7.298  -1.816
  222    HB1  ALA  37           3HB      ALA  37   6.115   5.111  -2.166
  223    HB2  ALA  37           1HB      ALA  37   7.475   5.370  -3.287
  224    HB3  ALA  37           2HB      ALA  37   7.699   4.320  -1.869
  225    H    GLN  38           H        GLN  38   9.031   5.508   0.552
  226    HA   GLN  38           HA       GLN  38   6.955   5.054   2.473
  227    HB3  GLN  38           1HB      GLN  38   8.949   5.106   4.106
  228    HG3  GLN  38           1HG      GLN  38   8.975   3.207   1.722
  229   HE21  GLN  38          2HE2      GLN  38  11.492   3.737   2.283
  230   HE22  GLN  38          1HE2      GLN  38  12.191   2.565   3.405
  231    HA   PRO  39           HA       PRO  39   7.865   9.236   4.572
  232    HB3  PRO  39           1HB      PRO  39  10.030   9.998   4.254
  233    HG3  PRO  39           1HG      PRO  39  11.117   9.762   2.136
  234    HD3  PRO  39           1HD      PRO  39  10.441   7.601   2.777
  235    H    LEU  40           H        LEU  40   7.091   8.808   1.202
  236    HA   LEU  40           HA       LEU  40   5.359  11.131   0.860
  237    HB3  LEU  40           1HB      LEU  40   4.681   8.646  -0.641
  238    HG   LEU  40           HG       LEU  40   4.807   9.831  -2.565
  239   HD11  LEU  40          1HD1      LEU  40   3.041  10.707  -0.855
  240   HD12  LEU  40          2HD1      LEU  40   3.367  11.629  -2.326
  241   HD13  LEU  40          3HD1      LEU  40   4.056  12.156  -0.768
  242   HD21  LEU  40          3HD2      LEU  40   5.943  12.005  -2.888
  243   HD22  LEU  40          1HD2      LEU  40   7.072  10.749  -2.359
  244   HD23  LEU  40          2HD2      LEU  40   6.505  11.976  -1.205
  245    H    LEU  41           H        LEU  41   4.782   7.661   1.493
  246    HA   LEU  41           HA       LEU  41   2.001   7.833   2.105
  247    HB3  LEU  41           1HB      LEU  41   2.631   5.747   3.598
  248    HG   LEU  41           HG       LEU  41   2.400   4.217   1.859
  249   HD11  LEU  41          1HD1      LEU  41   0.421   5.626   2.242
  250   HD12  LEU  41          2HD1      LEU  41   0.487   4.918   0.617
  251   HD13  LEU  41          3HD1      LEU  41   0.867   6.624   0.841
  252   HD21  LEU  41          3HD2      LEU  41   4.169   4.806   0.405
  253   HD22  LEU  41          1HD2      LEU  41   3.433   6.350  -0.025
  254   HD23  LEU  41          2HD2      LEU  41   2.688   4.822  -0.558
  255    H    ALA  42           H        ALA  42   4.874   7.976   4.247
  256    HA   ALA  42           HA       ALA  42   3.550   8.374   6.685
  257    HB1  ALA  42           3HB      ALA  42   5.640   9.303   7.468
  258    HB2  ALA  42           1HB      ALA  42   6.004   7.989   6.327
  259    HB3  ALA  42           2HB      ALA  42   6.147   9.690   5.817
  260    H    GLU  43           H        GLU  43   4.222  10.886   4.215
  261    HA   GLU  43           HA       GLU  43   3.217  13.083   5.838
  262    HB3  GLU  43           1HB      GLU  43   3.084  14.238   3.526
  263    HG3  GLU  43           1HG      GLU  43   5.654  14.131   3.264
  264    H    VAL  44           H        VAL  44   1.709  11.123   3.184
  265    HA   VAL  44           HA       VAL  44  -0.815  12.529   3.393
  266    HB   VAL  44           HB       VAL  44  -0.433  11.490   1.362
  267   HG11  VAL  44          1HG1      VAL  44  -0.246   9.175   0.916
  268   HG12  VAL  44          2HG1      VAL  44   1.065   9.709   1.913
  269   HG13  VAL  44          3HG1      VAL  44  -0.255   8.751   2.641
  270   HG21  VAL  44          3HG2      VAL  44  -2.511   9.737   2.723
  271   HG22  VAL  44          1HG2      VAL  44  -2.794  11.400   2.197
  272   HG23  VAL  44          2HG2      VAL  44  -2.406  10.149   0.999
  273    H    PHE  45           H        PHE  45   0.232   9.404   4.766
  274    HA   PHE  45           HA       PHE  45  -2.207   8.620   5.919
  275    HB3  PHE  45           1HB      PHE  45   0.093   7.674   7.467
  276    HD1  PHE  45           HD2      PHE  45  -2.452   6.798   8.008
  277    HD2  PHE  45           HD1      PHE  45   0.001   5.581   4.673
  278    HE1  PHE  45           HE2      PHE  45  -3.778   4.752   7.792
  279    HE2  PHE  45           HE1      PHE  45  -1.314   3.493   4.476
  280    HZ   PHE  45           HZ       PHE  45  -3.224   3.067   6.019
  281    H    SER  46           H        SER  46   0.034  11.016   7.142
  282    HA   SER  46           HA       SER  46  -0.662  10.922   9.927
  283    HB3  SER  46           1HB      SER  46   0.076  13.318   9.910
  284    HG   SER  46           HG       SER  46   1.902  11.677   8.461
  285    H    ASP  47           H        ASP  47  -2.570  11.976   7.203
  286    HA   ASP  47           HA       ASP  47  -4.540  13.335   8.992
  287    HB3  ASP  47           1HB      ASP  47  -4.581  13.180   5.967
  288    H    TYR  48           H        TYR  48  -3.985  10.255   7.716
  289    HA   TYR  48           HA       TYR  48  -6.855   9.452   7.982
  290    HB3  TYR  48           1HB      TYR  48  -6.722   8.067   6.034
  291    HD1  TYR  48           HD2      TYR  48  -8.337  10.044   5.663
  292    HD2  TYR  48           HD1      TYR  48  -4.177  10.121   4.566
  293    HE1  TYR  48           HE2      TYR  48  -8.771  11.982   4.171
  294    HE2  TYR  48           HE1      TYR  48  -4.574  12.147   3.185
  295    HH   TYR  48           HH       TYR  48  -6.097  13.685   2.447
  296    HA   PRO  49           HA       PRO  49  -3.619   6.634  10.144
  297    HB3  PRO  49           1HB      PRO  49  -3.023   8.042  11.860
  298    HG3  PRO  49           1HG      PRO  49  -4.535   9.719  12.676
  299    HD3  PRO  49           1HD      PRO  49  -4.213   9.994  10.331
  300    H    GLU  50           H        GLU  50  -7.105   7.065  10.439
  301    HA   GLU  50           HA       GLU  50  -7.675   4.536  11.641
  302    HB3  GLU  50           1HB      GLU  50  -9.247   6.384  11.640
  303    HG3  GLU  50           1HG      GLU  50  -9.671   5.841   8.654
  304    H    VAL  51           H        VAL  51  -6.532   5.208   8.425
  305    HA   VAL  51           HA       VAL  51  -7.706   2.786   7.212
  306    HB   VAL  51           HB       VAL  51  -5.514   4.644   6.190
  307   HG11  VAL  51          1HG1      VAL  51  -7.076   2.468   4.718
  308   HG12  VAL  51          2HG1      VAL  51  -5.977   3.642   3.954
  309   HG13  VAL  51          3HG1      VAL  51  -5.326   2.459   5.064
  310   HG21  VAL  51          3HG2      VAL  51  -7.696   5.785   6.392
  311   HG22  VAL  51          1HG2      VAL  51  -7.281   5.534   4.693
  312   HG23  VAL  51          2HG2      VAL  51  -8.469   4.472   5.472
  313    H    GLY  52           H        GLY  52  -6.607   0.807   6.878
  314    HA2  GLY  52           1HA      GLY  52  -4.342   0.181   8.677
  315    HA3  GLY  52           2HA      GLY  52  -5.262  -0.948   7.664
  316    H    HIS  53           H        HIS  53  -2.288  -0.629   7.936
  317    HA   HIS  53           HA       HIS  53  -1.740  -0.342   5.018
  318    HB2  HIS  53           1HB      HIS  53  -1.112   1.749   6.402
  319    HB3  HIS  53           2HB      HIS  53   0.149   0.746   7.116
  320    HD1  HIS  53           HD1      HIS  53   1.986   2.407   5.960
  321    HD2  HIS  53           HD2      HIS  53  -0.569   0.359   3.324
  322    HE1  HIS  53           HE1      HIS  53   3.013   2.600   3.609
  323    H    LEU  54           H        LEU  54  -1.069  -2.271   4.341
  324    HA   LEU  54           HA       LEU  54   0.528  -3.973   6.175
  325    HB3  LEU  54           1HB      LEU  54  -1.183  -4.826   3.801
  326    HG   LEU  54           HG       LEU  54  -1.488  -6.932   5.065
  327   HD11  LEU  54          1HD1      LEU  54   0.594  -8.005   4.499
  328   HD12  LEU  54          2HD1      LEU  54   1.461  -6.463   4.425
  329   HD13  LEU  54          3HD1      LEU  54   0.164  -6.823   3.254
  330   HD21  LEU  54          3HD2      LEU  54   0.839  -6.075   6.860
  331   HD22  LEU  54          1HD2      LEU  54  -0.084  -7.589   6.916
  332   HD23  LEU  54          2HD2      LEU  54  -0.873  -6.061   7.344
  333    H    LYS  55           H        LYS  55   2.613  -3.711   5.791
  334    HA   LYS  55           HA       LYS  55   3.618  -3.011   3.093
  335    HB3  LYS  55           1HB      LYS  55   5.774  -2.843   4.293
  336    HG3  LYS  55           1HG      LYS  55   4.325  -0.827   4.046
  337    HD3  LYS  55           1HD      LYS  55   2.561  -1.176   5.682
  338    HE3  LYS  55           1HE      LYS  55   4.758  -1.138   7.813
  339    HZ1  LYS  55           3HZ      LYS  55   2.673  -0.115   8.548
  340    HZ2  LYS  55           1HZ      LYS  55   2.862  -1.557   9.304
  341    HZ3  LYS  55           2HZ      LYS  55   1.804  -1.424   8.068
  342    H    VAL  56           H        VAL  56   3.679  -4.739   1.811
  343    HA   VAL  56           HA       VAL  56   4.551  -7.412   2.764
  344    HB   VAL  56           HB       VAL  56   3.672  -6.502  -0.022
  345   HG11  VAL  56          1HG1      VAL  56   3.852  -9.291   1.217
  346   HG12  VAL  56          2HG1      VAL  56   3.250  -8.905  -0.418
  347   HG13  VAL  56          3HG1      VAL  56   4.948  -8.631  -0.013
  348   HG21  VAL  56          3HG2      VAL  56   1.464  -7.347   0.405
  349   HG22  VAL  56          1HG2      VAL  56   1.915  -7.853   2.050
  350   HG23  VAL  56          2HG2      VAL  56   1.834  -6.125   1.609
  351    H    GLU  57           H        GLU  57   6.537  -7.850   2.901
  352    HA   GLU  57           HA       GLU  57   8.581  -6.457   1.422
  353    HB3  GLU  57           1HB      GLU  57   9.040  -9.032   2.951
  354    HG3  GLU  57           1HG      GLU  57  10.477  -6.369   2.711
  355    H    ASP  58           H        ASP  58   8.877  -6.762  -0.685
  356    HA   ASP  58           HA       ASP  58   8.103  -9.235  -2.039
  357    HB3  ASP  58           1HB      ASP  58   9.259  -6.641  -3.136
  358    H    GLY  59           H        GLY  59  11.013  -8.034  -0.794
  359    HA2  GLY  59           1HA      GLY  59  12.986  -8.838  -2.695
  360    HA3  GLY  59           2HA      GLY  59  13.251  -8.563  -0.959
  361    HA   PRO  60           HA       PRO  60  13.163 -13.004  -0.203
  362    HB3  PRO  60           1HB      PRO  60  11.670 -13.843   1.434
  363    HG3  PRO  60           1HG      PRO  60  12.484 -11.723   2.231
  364    HD3  PRO  60           1HD      PRO  60  12.137  -9.751   0.980
  365    H    GLY  61           H        GLY  61  10.912 -11.816  -2.521
  366    HA2  GLY  61           1HA      GLY  61  10.466 -12.796  -4.589
  367    HA3  GLY  61           2HA      GLY  61  10.881 -14.405  -3.960
  368    H    ARG  62           H        ARG  62   8.638 -12.429  -2.147
  369    HA   ARG  62           HA       ARG  62   6.592 -14.363  -2.108
  370    HB3  ARG  62           1HB      ARG  62   5.138 -12.407  -1.353
  371    HG3  ARG  62           1HG      ARG  62   7.754 -12.688   0.168
  372    HD3  ARG  62           1HD      ARG  62   6.165 -10.993   1.066
  373    HE   ARG  62           HE       ARG  62   4.001 -11.820   0.416
  374   HH11  ARG  62          1HH1      ARG  62   5.218 -13.460   3.325
  375   HH12  ARG  62          2HH1      ARG  62   3.614 -14.052   3.698
  376   HH21  ARG  62          1HH2      ARG  62   2.040 -12.741   0.954
  377   HH22  ARG  62          2HH2      ARG  62   1.909 -13.651   2.423
  378    H    ARG  63           H        ARG  63   4.756 -14.746  -3.157
  379    HA   ARG  63           HA       ARG  63   4.392 -13.569  -5.836
  380    HB3  ARG  63           1HB      ARG  63   2.839 -15.490  -6.170
  381    HG3  ARG  63           1HG      ARG  63   5.583 -16.275  -5.108
  382    HD3  ARG  63           1HD      ARG  63   3.737 -17.580  -7.152
  383    HE   ARG  63           HE       ARG  63   6.554 -17.821  -6.867
  384   HH11  ARG  63          1HH1      ARG  63   3.772 -19.982  -7.177
  385   HH12  ARG  63          2HH1      ARG  63   4.720 -21.238  -7.908
  386   HH21  ARG  63          1HH2      ARG  63   7.712 -19.467  -7.846
  387   HH22  ARG  63          2HH2      ARG  63   6.917 -20.940  -8.307
  388    H    LEU  64           H        LEU  64   3.140 -12.599  -2.904
  389    HA   LEU  64           HA       LEU  64   0.375 -12.287  -3.507
  390    HB3  LEU  64           1HB      LEU  64   2.081 -10.467  -1.768
  391    HG   LEU  64           HG       LEU  64  -0.273  -9.651  -2.030
  392   HD11  LEU  64          1HD1      LEU  64  -1.453 -11.737  -2.504
  393   HD12  LEU  64          2HD1      LEU  64  -2.117 -11.072  -1.005
  394   HD13  LEU  64          3HD1      LEU  64  -0.975 -12.428  -0.940
  395   HD21  LEU  64          3HD2      LEU  64   1.015  -9.439   0.113
  396   HD22  LEU  64          1HD2      LEU  64   0.258 -10.920   0.690
  397   HD23  LEU  64          2HD2      LEU  64  -0.737  -9.488   0.358
  398    H    GLY  65           H        GLY  65   3.096  -9.945  -4.088
  399    HA2  GLY  65           1HA      GLY  65   1.489  -8.001  -5.424
  400    HA3  GLY  65           2HA      GLY  65   3.245  -8.193  -5.610
  401    H    ARG  66           H        ARG  66   3.056 -10.919  -6.699
  402    HA   ARG  66           HA       ARG  66   2.443 -10.467  -9.479
  403    HB3  ARG  66           1HB      ARG  66   2.839 -13.073  -7.952
  404    HG3  ARG  66           1HG      ARG  66   3.168 -12.441 -10.921
  405    HD3  ARG  66           1HD      ARG  66   3.552 -15.016  -9.316
  406    HE   ARG  66           HE       ARG  66   2.952 -15.847 -11.393
  407   HH11  ARG  66          1HH1      ARG  66   5.442 -13.390 -11.923
  408   HH12  ARG  66          2HH1      ARG  66   5.698 -13.875 -13.569
  409   HH21  ARG  66          1HH2      ARG  66   3.363 -16.452 -13.500
  410   HH22  ARG  66          2HH2      ARG  66   4.541 -15.602 -14.448
  411    H    SER  67           H        SER  67   0.620 -12.035  -6.807
  412    HA   SER  67           HA       SER  67  -1.647 -12.856  -8.432
  413    HB3  SER  67           1HB      SER  67  -2.734 -13.259  -6.280
  414    HG   SER  67           HG       SER  67   0.028 -13.998  -6.089
  415    H    PHE  68           H        PHE  68  -0.849  -9.892  -6.638
  416    HA   PHE  68           HA       PHE  68  -3.383  -8.573  -7.094
  417    HB3  PHE  68           1HB      PHE  68  -1.645  -6.567  -6.499
  418    HD1  PHE  68           HD1      PHE  68  -1.598  -9.257  -3.976
  419    HD2  PHE  68           HD2      PHE  68  -3.708  -5.876  -5.535
  420    HE1  PHE  68           HE1      PHE  68  -2.862  -9.095  -1.852
  421    HE2  PHE  68           HE2      PHE  68  -4.996  -5.685  -3.413
  422    HZ   PHE  68           HZ       PHE  68  -4.567  -7.291  -1.556
  423    H    GLN  69           H        GLN  69  -0.796  -9.263  -9.172
  424    HA   GLN  69           HA       GLN  69  -0.059  -8.553 -11.179
  425    HB3  GLN  69           1HB      GLN  69  -1.577  -7.597 -12.777
  426    HG3  GLN  69           1HG      GLN  69  -2.267  -9.982 -11.444
  427   HE21  GLN  69          2HE2      GLN  69  -3.736  -9.751  -9.590
  428   HE22  GLN  69          1HE2      GLN  69  -5.387  -9.245  -9.820
  429    H    VAL  70           H        VAL  70   0.946  -7.159  -9.085
  430    HA   VAL  70           HA       VAL  70   0.752  -4.348  -9.028
  431    HB   VAL  70           HB       VAL  70   2.902  -6.336  -8.311
  432   HG11  VAL  70          1HG1      VAL  70   4.302  -4.497  -8.927
  433   HG12  VAL  70          2HG1      VAL  70   3.226  -3.333  -8.139
  434   HG13  VAL  70          3HG1      VAL  70   4.170  -4.480  -7.161
  435   HG21  VAL  70          3HG2      VAL  70   0.850  -6.038  -6.904
  436   HG22  VAL  70          1HG2      VAL  70   2.345  -5.638  -6.055
  437   HG23  VAL  70          2HG2      VAL  70   1.300  -4.333  -6.658
  438    H    LYS  71           H        LYS  71   1.333  -2.740 -10.277
  439    HA   LYS  71           HA       LYS  71   2.016  -3.497 -12.994
  440    HB3  LYS  71           1HB      LYS  71   1.374  -0.676 -12.114
  441    HG3  LYS  71           1HG      LYS  71   1.610  -1.654 -14.623
  442    HD3  LYS  71           1HD      LYS  71  -0.594  -2.103 -15.566
  443    HE3  LYS  71           1HE      LYS  71  -0.162  -3.976 -13.187
  444    HZ1  LYS  71           3HZ      LYS  71  -1.618  -4.420 -15.727
  445    HZ2  LYS  71           1HZ      LYS  71  -2.311  -4.275 -14.257
  446    HZ3  LYS  71           2HZ      LYS  71  -1.346  -5.549 -14.573
  447    H    LEU  72           H        LEU  72   3.297  -0.915 -10.903
  448    HA   LEU  72           HA       LEU  72   6.014  -1.465 -11.991
  449    HB3  LEU  72           1HB      LEU  72   5.256   1.104 -10.550
  450    HG   LEU  72           HG       LEU  72   7.743   0.416 -10.852
  451   HD11  LEU  72          1HD1      LEU  72   7.599  -0.497 -13.140
  452   HD12  LEU  72          2HD1      LEU  72   8.726   0.859 -13.068
  453   HD13  LEU  72          3HD1      LEU  72   7.104   1.098 -13.755
  454   HD21  LEU  72          3HD2      LEU  72   8.404   2.713 -11.522
  455   HD22  LEU  72          1HD2      LEU  72   7.097   2.704 -10.328
  456   HD23  LEU  72          2HD2      LEU  72   6.727   3.013 -12.041
  457    H    TRP  73           H        TRP  73   7.638  -1.626 -10.282
  458    HA   TRP  73           HA       TRP  73   6.792  -3.362  -8.281
  459    HB3  TRP  73           1HB      TRP  73   9.260  -1.666  -8.215
  460    HD1  TRP  73           HD       TRP  73   8.858  -5.478  -8.053
  461    HE1  TRP  73           HE1      TRP  73   9.841  -6.331  -5.847
  462    HE3  TRP  73           HE3      TRP  73   9.886  -0.974  -5.881
  463    HZ2  TRP  73           HZ2      TRP  73  11.231  -5.187  -3.570
  464    HZ3  TRP  73           HZ3      TRP  73  11.016  -0.874  -3.675
  465    HH2  TRP  73           HH       TRP  73  11.750  -2.966  -2.542
  466    HA   PRO  74           HA       PRO  74   6.485  -0.034  -4.976
  467    HB3  PRO  74           1HB      PRO  74   8.106   1.600  -5.146
  468    HG3  PRO  74           1HG      PRO  74   8.617   2.622  -7.294
  469    HD3  PRO  74           1HD      PRO  74   8.945   0.333  -7.563
  470    H    THR  75           H        THR  75   4.400  -0.915  -5.370
  471    HA   THR  75           HA       THR  75   2.328   1.088  -6.168
  472    HB   THR  75           HB       THR  75   2.369  -1.884  -6.865
  473    HG1  THR  75           HG1      THR  75   3.364  -0.737  -8.410
  474   HG21  THR  75          3HG2      THR  75   0.073  -1.406  -6.242
  475   HG22  THR  75          1HG2      THR  75   0.176  -1.476  -8.002
  476   HG23  THR  75          2HG2      THR  75   0.079   0.098  -7.189
  477    H    PHE  76           H        PHE  76   0.603   1.158  -4.923
  478    HA   PHE  76           HA       PHE  76   0.278  -0.867  -2.823
  479    HB3  PHE  76           1HB      PHE  76   1.124   0.691  -1.351
  480    HD1  PHE  76           HD2      PHE  76   2.894   1.811  -2.761
  481    HD2  PHE  76           HD1      PHE  76  -1.079   3.384  -2.213
  482    HE1  PHE  76           HE2      PHE  76   3.677   4.048  -3.548
  483    HE2  PHE  76           HE1      PHE  76  -0.286   5.588  -2.902
  484    HZ   PHE  76           HZ       PHE  76   2.063   5.904  -3.690
  485    H    VAL  77           H        VAL  77  -1.630  -1.638  -2.692
  486    HA   VAL  77           HA       VAL  77  -3.767  -0.572  -4.481
  487    HB   VAL  77           HB       VAL  77  -3.392  -3.397  -3.389
  488   HG11  VAL  77          1HG1      VAL  77  -5.167  -2.394  -5.661
  489   HG12  VAL  77          2HG1      VAL  77  -5.061  -4.050  -5.076
  490   HG13  VAL  77          3HG1      VAL  77  -5.743  -2.790  -4.039
  491   HG21  VAL  77          3HG2      VAL  77  -2.618  -2.229  -6.104
  492   HG22  VAL  77          1HG2      VAL  77  -1.525  -2.917  -4.887
  493   HG23  VAL  77          2HG2      VAL  77  -2.661  -3.954  -5.743
  494    H    PHE  78           H        PHE  78  -5.555   0.211  -3.652
  495    HA   PHE  78           HA       PHE  78  -5.945   0.183  -0.705
  496    HB3  PHE  78           1HB      PHE  78  -7.732   1.855  -1.199
  497    HD1  PHE  78           HD2      PHE  78  -4.957   2.406  -3.647
  498    HD2  PHE  78           HD1      PHE  78  -6.520   3.421   0.251
  499    HE1  PHE  78           HE2      PHE  78  -3.161   4.064  -3.355
  500    HE2  PHE  78           HE1      PHE  78  -4.756   5.181   0.456
  501    HZ   PHE  78           HZ       PHE  78  -3.092   5.492  -1.383
  502    H    LEU  79           H        LEU  79  -7.110  -1.364   0.146
  503    HA   LEU  79           HA       LEU  79  -9.313  -2.648  -1.380
  504    HB3  LEU  79           1HB      LEU  79  -8.980  -4.280   0.696
  505    HG   LEU  79           HG       LEU  79  -8.935  -5.000  -1.598
  506   HD11  LEU  79          1HD1      LEU  79  -5.987  -4.251  -1.680
  507   HD12  LEU  79          2HD1      LEU  79  -7.291  -3.383  -2.531
  508   HD13  LEU  79          3HD1      LEU  79  -6.953  -5.055  -2.950
  509   HD21  LEU  79          3HD2      LEU  79  -6.620  -5.992   0.084
  510   HD22  LEU  79          1HD2      LEU  79  -7.363  -6.874  -1.280
  511   HD23  LEU  79          2HD2      LEU  79  -8.310  -6.527   0.183
  512    H    ARG  80           H        ARG  80 -11.260  -3.010  -0.270
  513    HA   ARG  80           HA       ARG  80 -11.833  -2.176   2.429
  514    HB3  ARG  80           1HB      ARG  80 -13.103  -0.523   0.212
  515    HG3  ARG  80           1HG      ARG  80 -13.109  -0.206   3.235
  516    HD3  ARG  80           1HD      ARG  80 -14.227   1.608   1.036
  517    HE   ARG  80           HE       ARG  80 -15.421   1.336   3.402
  518   HH11  ARG  80          1HH1      ARG  80 -13.262   4.010   2.391
  519   HH12  ARG  80          2HH1      ARG  80 -13.990   5.091   3.543
  520   HH21  ARG  80          1HH2      ARG  80 -16.283   2.846   4.816
  521   HH22  ARG  80          2HH2      ARG  80 -15.661   4.466   4.844
  522    H    ASP  81           H        ASP  81 -13.620  -3.281   3.103
  523    HA   ASP  81           HA       ASP  81 -15.164  -4.921   3.170
  524    HB3  ASP  81           1HB      ASP  81 -16.008  -4.229   0.338
  525    H    GLY  82           H        GLY  82 -12.457  -5.401   1.968
  526    HA2  GLY  82           1HA      GLY  82 -11.290  -7.379   1.571
  527    HA3  GLY  82           2HA      GLY  82 -12.804  -8.211   1.166
  528    H    ARG  83           H        ARG  83 -13.071  -5.609  -0.740
  529    HA   ARG  83           HA       ARG  83 -11.690  -6.875  -3.063
  530    HB3  ARG  83           1HB      ARG  83 -13.332  -5.456  -4.397
  531    HG3  ARG  83           1HG      ARG  83 -14.423  -7.563  -2.501
  532    HD3  ARG  83           1HD      ARG  83 -16.189  -7.979  -4.098
  533    HE   ARG  83           HE       ARG  83 -16.727  -5.179  -4.216
  534   HH11  ARG  83          1HH2      ARG  83 -16.322  -7.686  -1.714
  535   HH12  ARG  83          2HH2      ARG  83 -17.237  -6.737  -0.559
  536   HH21  ARG  83          1HH1      ARG  83 -17.959  -4.115  -2.614
  537   HH22  ARG  83          2HH1      ARG  83 -18.128  -4.877  -1.046
  538    H    GLU  84           H        GLU  84 -10.797  -5.544  -4.569
  539    HA   GLU  84           HA       GLU  84  -9.257  -3.238  -3.605
  540    HB3  GLU  84           1HB      GLU  84  -9.463  -4.555  -6.309
  541    HG3  GLU  84           1HG      GLU  84  -7.811  -2.126  -5.520
  542    H    VAL  85           H        VAL  85  -9.895  -1.234  -3.542
  543    HA   VAL  85           HA       VAL  85 -12.287  -0.322  -5.123
  544    HB   VAL  85           HB       VAL  85 -12.248   1.656  -3.589
  545   HG11  VAL  85          1HG1      VAL  85 -13.788  -0.261  -3.341
  546   HG12  VAL  85          2HG1      VAL  85 -12.637  -1.022  -2.227
  547   HG13  VAL  85          3HG1      VAL  85 -13.408   0.529  -1.804
  548   HG21  VAL  85          3HG2      VAL  85 -11.088   1.606  -1.472
  549   HG22  VAL  85          1HG2      VAL  85 -10.470  -0.014  -1.757
  550   HG23  VAL  85          2HG2      VAL  85  -9.849   1.344  -2.721
  551    H    ALA  86           H        ALA  86  -8.832   0.071  -4.795
  552    HA   ALA  86           HA       ALA  86  -8.540   1.496  -7.271
  553    HB1  ALA  86           3HB      ALA  86  -8.080   3.003  -4.653
  554    HB2  ALA  86           1HB      ALA  86  -7.583   3.602  -6.238
  555    HB3  ALA  86           2HB      ALA  86  -9.294   3.430  -5.890
  556    H    ARG  87           H        ARG  87  -6.181   2.288  -7.417
  557    HA   ARG  87           HA       ARG  87  -4.372   1.441  -5.339
  558    HB3  ARG  87           1HB      ARG  87  -4.455  -0.630  -6.587
  559    HG3  ARG  87           1HG      ARG  87  -3.368   0.995  -8.944
  560    HD3  ARG  87           1HD      ARG  87  -2.269  -1.184  -8.334
  561    HE   ARG  87           HE       ARG  87  -4.971  -2.178  -8.424
  562   HH11  ARG  87          1HH1      ARG  87  -1.725  -3.199  -9.492
  563   HH12  ARG  87          2HH1      ARG  87  -2.164  -4.887  -9.359
  564   HH21  ARG  87          1HH2      ARG  87  -5.388  -4.370  -8.278
  565   HH22  ARG  87          2HH2      ARG  87  -4.118  -5.518  -8.661
  566    H    VAL  88           H        VAL  88  -2.279   2.361  -5.547
  567    HA   VAL  88           HA       VAL  88  -2.035   4.568  -7.602
  568    HB   VAL  88           HB       VAL  88  -1.244   4.550  -4.700
  569   HG11  VAL  88          1HG1      VAL  88  -0.540   6.628  -6.840
  570   HG12  VAL  88          2HG1      VAL  88  -0.288   6.852  -5.101
  571   HG13  VAL  88          3HG1      VAL  88   0.629   5.605  -5.962
  572   HG21  VAL  88          3HG2      VAL  88  -3.593   5.243  -5.189
  573   HG22  VAL  88          1HG2      VAL  88  -2.611   6.456  -4.366
  574   HG23  VAL  88          2HG2      VAL  88  -2.954   6.614  -6.109
  575    H    VAL  89           H        VAL  89  -0.445   4.235  -8.922
  576    HA   VAL  89           HA       VAL  89   1.827   2.374  -8.264
  577    HB   VAL  89           HB       VAL  89   0.712   3.255 -10.963
  578   HG11  VAL  89          1HG1      VAL  89   2.189   1.556 -11.972
  579   HG12  VAL  89          2HG1      VAL  89   3.135   2.760 -11.104
  580   HG13  VAL  89          3HG1      VAL  89   2.846   1.169 -10.360
  581   HG21  VAL  89          3HG2      VAL  89  -0.865   1.715  -9.835
  582   HG22  VAL  89          1HG2      VAL  89  -0.144   1.014 -11.277
  583   HG23  VAL  89          2HG2      VAL  89   0.445   0.517  -9.682
  584    H    ARG  90           H        ARG  90   3.747   3.371  -7.987
  585    HA   ARG  90           HA       ARG  90   5.379   4.908  -7.857
  586    HB3  ARG  90           1HB      ARG  90   4.609   5.746 -10.663
  587    HG3  ARG  90           1HG      ARG  90   7.299   5.403  -9.250
  588    HD3  ARG  90           1HD      ARG  90   6.604   6.757 -11.898
  589    HE   ARG  90           HE       ARG  90   8.835   7.152 -10.315
  590   HH11  ARG  90          1HH1      ARG  90   8.402   5.755 -13.545
  591   HH12  ARG  90          2HH1      ARG  90  10.011   6.175 -14.047
  592   HH21  ARG  90          1HH2      ARG  90  10.893   7.676 -11.035
  593   HH22  ARG  90          2HH2      ARG  90  11.390   7.287 -12.653
  594    HA   PRO  91           HA       PRO  91   2.564   8.457  -6.635
  595    HB3  PRO  91           1HB      PRO  91   2.620   7.870  -4.480
  596    HG3  PRO  91           1HG      PRO  91   4.415   6.613  -3.548
  597    HD3  PRO  91           1HD      PRO  91   3.800   5.402  -5.481
  598    H    GLY  92           H        GLY  92   2.924  10.285  -7.806
  599    HA2  GLY  92           1HA      GLY  92   5.612  11.170  -8.512
  600    HA3  GLY  92           2HA      GLY  92   4.072  11.915  -9.006
  601    H    SER  93           H        SER  93   3.197  12.203  -6.210
  602    HA   SER  93           HA       SER  93   4.948  13.696  -4.558
  603    HB3  SER  93           1HB      SER  93   2.991  15.442  -6.078
  604    HG   SER  93           HG       SER  93   4.223  17.092  -4.982
  605    H    ALA  94           H        ALA  94   3.669  14.753  -2.738
  606    HA   ALA  94           HA       ALA  94   1.689  13.005  -1.676
  607    HB1  ALA  94           3HB      ALA  94   1.472  14.780   0.039
  608    HB2  ALA  94           1HB      ALA  94   3.171  14.480  -0.342
  609    HB3  ALA  94           2HB      ALA  94   2.362  15.911  -1.013
  610    H    SER  95           H        SER  95   1.298  15.901  -3.727
  611    HA   SER  95           HA       SER  95  -1.526  16.231  -3.405
  612    HB3  SER  95           1HB      SER  95  -0.164  17.902  -4.501
  613    HG   SER  95           HG       SER  95   0.746  17.445  -6.599
  614    H    VAL  96           H        VAL  96   0.254  13.772  -5.222
  615    HA   VAL  96           HA       VAL  96  -2.177  12.815  -6.627
  616    HB   VAL  96           HB       VAL  96   0.640  11.625  -6.511
  617   HG11  VAL  96          1HG1      VAL  96  -0.048  10.404  -8.559
  618   HG12  VAL  96          2HG1      VAL  96  -1.017   9.938  -7.155
  619   HG13  VAL  96          3HG1      VAL  96  -1.702  11.038  -8.369
  620   HG21  VAL  96          3HG2      VAL  96   0.762  13.826  -7.571
  621   HG22  VAL  96          1HG2      VAL  96   0.949  12.564  -8.786
  622   HG23  VAL  96          2HG2      VAL  96  -0.607  13.413  -8.630
  623    H    LEU  97           H        LEU  97   0.011  11.795  -3.965
  624    HA   LEU  97           HA       LEU  97  -1.387   9.317  -3.507
  625    HB3  LEU  97           1HB      LEU  97   0.057  10.351  -1.180
  626    HG   LEU  97           HG       LEU  97   0.703   8.157  -3.235
  627   HD11  LEU  97          1HD1      LEU  97   1.848   8.566  -0.444
  628   HD12  LEU  97          2HD1      LEU  97   2.692   8.746  -2.012
  629   HD13  LEU  97          3HD1      LEU  97   2.103   7.165  -1.526
  630   HD21  LEU  97          3HD2      LEU  97  -1.332   7.463  -2.286
  631   HD22  LEU  97          1HD2      LEU  97  -1.010   8.265  -0.754
  632   HD23  LEU  97          2HD2      LEU  97  -0.175   6.763  -1.137
  633    H    GLU  98           H        GLU  98  -1.527  12.437  -1.729
  634    HA   GLU  98           HA       GLU  98  -3.583  11.765   0.084
  635    HB3  GLU  98           1HB      GLU  98  -4.056  14.230   0.090
  636    HG3  GLU  98           1HG      GLU  98  -1.075  13.615   0.239
  637    H    GLU  99           H        GLU  99  -3.883  13.025  -3.286
  638    HA   GLU  99           HA       GLU  99  -6.670  13.413  -3.389
  639    HB3  GLU  99           1HB      GLU  99  -4.614  12.627  -5.494
  640    HG3  GLU  99           1HG      GLU  99  -7.559  13.179  -5.866
  641    H    ALA 100           H        ALA 100  -4.786  10.418  -3.750
  642    HA   ALA 100           HA       ALA 100  -7.170   8.814  -4.381
  643    HB1  ALA 100           3HB      ALA 100  -5.606   6.947  -4.196
  644    HB2  ALA 100           1HB      ALA 100  -4.948   8.231  -5.230
  645    HB3  ALA 100           2HB      ALA 100  -4.342   8.036  -3.564
  646    H    PHE 101           H        PHE 101  -5.149   9.401  -1.429
  647    HA   PHE 101           HA       PHE 101  -6.426   7.481   0.223
  648    HB3  PHE 101           1HB      PHE 101  -5.790   9.408   1.981
  649    HD1  PHE 101           HD2      PHE 101  -3.279   7.780  -0.444
  650    HD2  PHE 101           HD1      PHE 101  -5.077   7.818   3.499
  651    HE1  PHE 101           HE2      PHE 101  -1.681   6.117   0.327
  652    HE2  PHE 101           HE1      PHE 101  -3.469   6.104   4.230
  653    HZ   PHE 101           HZ       PHE 101  -1.732   5.265   2.616
  654    H    GLU 102           H        GLU 102  -7.228  10.968  -0.141
  655    HA   GLU 102           HA       GLU 102  -9.495  10.964   1.558
  656    HB3  GLU 102           1HB      GLU 102  -8.546  13.043   0.924
  657    HG3  GLU 102           1HG      GLU 102  -8.418  12.145  -1.735
  658    H    SER 103           H        SER 103  -9.211  10.034  -1.846
  659    HA   SER 103           HA       SER 103 -12.055   9.910  -2.310
  660    HB3  SER 103           1HB      SER 103  -9.807   8.550  -3.849
  661    HG   SER 103           HG       SER 103 -11.322   8.783  -5.582
  662    H    LEU 104           H        LEU 104  -9.696   7.601  -1.032
  663    HA   LEU 104           HA       LEU 104 -11.685   5.371  -1.234
  664    HB3  LEU 104           1HB      LEU 104  -9.702   3.994  -0.472
  665    HG   LEU 104           HG       LEU 104  -8.821   3.601  -2.520
  666   HD11  LEU 104          1HD1      LEU 104 -11.400   3.638  -2.592
  667   HD12  LEU 104          2HD1      LEU 104 -10.566   3.668  -4.146
  668   HD13  LEU 104          3HD1      LEU 104 -11.237   5.164  -3.494
  669   HD21  LEU 104          3HD2      LEU 104  -8.478   5.207  -4.348
  670   HD22  LEU 104          1HD2      LEU 104  -7.652   5.709  -2.874
  671   HD23  LEU 104          2HD2      LEU 104  -9.197   6.471  -3.383
  672    H    VAL 105           H        VAL 105 -10.151   7.380   1.176
  673    HA   VAL 105           HA       VAL 105 -11.158   5.878   3.427
  674    HB   VAL 105           HB       VAL 105  -9.271   7.719   3.285
  675   HG11  VAL 105          1HG1      VAL 105  -9.902   9.929   3.961
  676   HG12  VAL 105          2HG1      VAL 105 -10.812   9.530   2.510
  677   HG13  VAL 105          3HG1      VAL 105 -11.607   9.486   4.095
  678   HG21  VAL 105          3HG2      VAL 105 -11.086   7.680   5.707
  679   HG22  VAL 105          1HG2      VAL 105  -9.935   6.397   5.273
  680   HG23  VAL 105          2HG2      VAL 105  -9.330   8.021   5.623
  681    H    GLY 106           H        GLY 106 -12.554   8.203   1.204
  682    HA2  GLY 106           1HA      GLY 106 -14.817   8.554   0.836
  683    HA3  GLY 106           2HA      GLY 106 -15.221   8.005   2.479
  684    H    GLU 107           H        GLU 107 -12.696  10.411   2.046
  685    HA   GLU 107           HA       GLU 107 -14.352  12.444   3.432
  686    HB3  GLU 107           1HB      GLU 107 -11.983  13.638   3.304
  687    HG3  GLU 107           1HG      GLU 107 -11.191  12.296   5.296
  688    H    GLY 108           H        GLY 108 -13.184  11.764   0.210
  689    HA2  GLY 108           1HA      GLY 108 -13.413  14.493  -0.780
  690    HA3  GLY 108           2HA      GLY 108 -13.270  13.016  -1.759
  Start of MODEL   14
    1    H1   MET   1           H        MET   1  15.619   7.750   9.121
    2    HA   MET   1           HA       MET   1  13.592   7.226  10.362
    3    HB3  MET   1           1HB      MET   1  13.859   9.586   9.712
    4    HG3  MET   1           1HG      MET   1  12.127   8.875   7.307
    5    HE1  MET   1           3HE      MET   1  10.170  12.074   8.204
    6    HE2  MET   1           1HE      MET   1  10.111  10.374   7.708
    7    HE3  MET   1           2HE      MET   1  10.659  10.812   9.345
    8    H    LYS   2           H        LYS   2  13.564   6.147   7.168
    9    HA   LYS   2           HA       LYS   2  10.855   5.717   6.614
   10    HB3  LYS   2           1HB      LYS   2  12.742   5.604   4.999
   11    HG3  LYS   2           1HG      LYS   2  13.640   3.357   4.433
   12    HD3  LYS   2           1HD      LYS   2  14.582   4.258   7.199
   13    HE3  LYS   2           1HE      LYS   2  15.523   2.080   6.667
   14    HZ1  LYS   2           3HZ      LYS   2  17.131   2.087   4.726
   15    HZ2  LYS   2           1HZ      LYS   2  16.327   3.387   4.125
   16    HZ3  LYS   2           2HZ      LYS   2  15.558   1.960   4.317
   17    H    THR   3           H        THR   3   9.336   4.183   6.984
   18    HA   THR   3           HA       THR   3   9.601   2.522   9.339
   19    HB   THR   3           HB       THR   3   7.254   2.713   7.413
   20    HG1  THR   3           HG1      THR   3   7.877   4.269   9.710
   21   HG21  THR   3          3HG2      THR   3   7.457   1.997  10.380
   22   HG22  THR   3          1HG2      THR   3   7.003   0.906   9.048
   23   HG23  THR   3          2HG2      THR   3   5.950   2.261   9.473
   24    H    ARG   4           H        ARG   4   9.655   0.323   9.538
   25    HA   ARG   4           HA       ARG   4  10.776  -1.082   7.251
   26    HB3  ARG   4           1HB      ARG   4  11.095  -2.929   8.972
   27    HG3  ARG   4           1HG      ARG   4  12.931  -1.406   8.443
   28    HD3  ARG   4           1HD      ARG   4  12.105   0.798   9.094
   29    HE   ARG   4           HE       ARG   4  11.606  -0.458  11.684
   30   HH11  ARG   4          1HH1      ARG   4  12.268   2.695  10.223
   31   HH12  ARG   4          2HH1      ARG   4  11.738   3.546  11.651
   32   HH21  ARG   4          1HH2      ARG   4  10.867   0.717  13.436
   33   HH22  ARG   4          2HH2      ARG   4  10.926   2.452  13.409
   34    H    TYR   5           H        TYR   5  10.112  -2.839   6.270
   35    HA   TYR   5           HA       TYR   5   7.290  -3.482   6.098
   36    HB3  TYR   5           1HB      TYR   5   8.385  -5.095   4.301
   37    HD1  TYR   5           HD1      TYR   5   9.659  -1.551   4.314
   38    HD2  TYR   5           HD2      TYR   5   6.707  -4.339   2.935
   39    HE1  TYR   5           HE1      TYR   5   8.869   0.124   2.663
   40    HE2  TYR   5           HE2      TYR   5   5.875  -2.645   1.274
   41    HH   TYR   5           HH       TYR   5   7.509   0.535   0.883
   42    H    SER   6           H        SER   6   6.522  -5.762   5.766
   43    HA   SER   6           HA       SER   6   7.844  -7.723   7.588
   44    HB3  SER   6           1HB      SER   6   5.544  -8.600   8.037
   45    HG   SER   6           HG       SER   6   6.289  -7.075   9.535
   46    H    ALA   7           H        ALA   7   8.180  -9.765   6.841
   47    HA   ALA   7           HA       ALA   7   7.610 -10.296   3.955
   48    HB1  ALA   7           3HB      ALA   7   9.407 -11.957   4.167
   49    HB2  ALA   7           1HB      ALA   7   9.972 -10.380   4.733
   50    HB3  ALA   7           2HB      ALA   7   9.529 -11.644   5.902
   51    H    GLU   8           H        GLU   8   6.751 -11.347   7.141
   52    HA   GLU   8           HA       GLU   8   5.660 -13.930   6.377
   53    HB3  GLU   8           1HB      GLU   8   6.721 -13.702   8.515
   54    HG3  GLU   8           1HG      GLU   8   5.223 -12.439  10.319
   55    H    ALA   9           H        ALA   9   4.494 -11.611   5.012
   56    HA   ALA   9           HA       ALA   9   1.971 -10.894   6.036
   57    HB1  ALA   9           3HB      ALA   9   3.164  -9.609   4.309
   58    HB2  ALA   9           1HB      ALA   9   2.997 -10.964   3.168
   59    HB3  ALA   9           2HB      ALA   9   1.560 -10.082   3.699
   60    HA   PRO  10           HA       PRO  10  -0.818 -14.215   4.921
   61    HB3  PRO  10           1HB      PRO  10  -2.371 -13.004   6.144
   62    HG3  PRO  10           1HG      PRO  10  -2.587 -10.592   5.831
   63    HD3  PRO  10           1HD      PRO  10  -0.360 -11.002   6.497
   64    H    ALA  11           H        ALA  11  -2.217 -15.001   3.178
   65    HA   ALA  11           HA       ALA  11  -1.153 -14.316   0.522
   66    HB1  ALA  11           3HB      ALA  11  -3.127 -16.452   1.448
   67    HB2  ALA  11           1HB      ALA  11  -2.332 -16.384  -0.144
   68    HB3  ALA  11           2HB      ALA  11  -1.359 -16.666   1.308
   69    H    ARG  12           H        ARG  12  -2.571 -14.103  -1.380
   70    HA   ARG  12           HA       ARG  12  -4.345 -11.931  -1.154
   71    HB3  ARG  12           1HB      ARG  12  -4.728 -13.671  -3.539
   72    HG3  ARG  12           1HG      ARG  12  -4.009 -11.666  -4.753
   73    HD3  ARG  12           1HD      ARG  12  -5.908 -10.715  -2.574
   74    HE   ARG  12           HE       ARG  12  -5.186  -9.016  -4.229
   75   HH11  ARG  12          1HH1      ARG  12  -7.527 -11.398  -5.436
   76   HH12  ARG  12          2HH1      ARG  12  -8.090 -10.318  -6.680
   77   HH21  ARG  12          1HH2      ARG  12  -6.012  -7.686  -5.801
   78   HH22  ARG  12          2HH2      ARG  12  -7.261  -8.242  -6.869
   79    H    ASP  13           H        ASP  13  -5.087 -15.390  -1.128
   80    HA   ASP  13           HA       ASP  13  -7.975 -15.107  -1.199
   81    HB3  ASP  13           1HB      ASP  13  -7.931 -17.494  -0.509
   82    H    GLU  14           H        GLU  14  -5.633 -14.698   1.367
   83    HA   GLU  14           HA       GLU  14  -7.626 -14.974   3.535
   84    HB3  GLU  14           1HB      GLU  14  -5.683 -14.424   4.958
   85    HG3  GLU  14           1HG      GLU  14  -5.098 -16.677   3.004
   86    H    LEU  15           H        LEU  15  -5.878 -12.459   1.683
   87    HA   LEU  15           HA       LEU  15  -6.812 -10.174   3.128
   88    HB3  LEU  15           1HB      LEU  15  -6.717  -9.180   0.669
   89    HG   LEU  15           HG       LEU  15  -5.013  -8.758   2.487
   90   HD11  LEU  15          1HD1      LEU  15  -2.815  -9.864   2.249
   91   HD12  LEU  15          2HD1      LEU  15  -3.484 -10.970   1.049
   92   HD13  LEU  15          3HD1      LEU  15  -4.056 -11.049   2.734
   93   HD21  LEU  15          3HD2      LEU  15  -4.952  -7.669   0.282
   94   HD22  LEU  15          1HD2      LEU  15  -4.025  -9.035  -0.380
   95   HD23  LEU  15          2HD2      LEU  15  -3.322  -7.975   0.876
   96    H    ASP  16           H        ASP  16  -8.441 -12.220   0.762
   97    HA   ASP  16           HA       ASP  16 -10.705 -10.626   0.192
   98    HB3  ASP  16           1HB      ASP  16 -10.439 -13.656   0.381
   99    H    ARG  17           H        ARG  17  -9.878 -12.266   3.137
  100    HA   ARG  17           HA       ARG  17 -12.593 -12.372   4.240
  101    HB3  ARG  17           1HB      ARG  17 -11.500 -13.203   6.237
  102    HG3  ARG  17           1HG      ARG  17 -10.315 -15.176   5.444
  103    HD3  ARG  17           1HD      ARG  17 -11.827 -16.089   3.734
  104    HE   ARG  17           HE       ARG  17 -12.640 -15.397   6.235
  105   HH11  ARG  17          1HH1      ARG  17 -14.410 -15.388   3.179
  106   HH12  ARG  17          2HH1      ARG  17 -15.939 -15.678   3.958
  107   HH21  ARG  17          1HH2      ARG  17 -14.638 -15.782   7.174
  108   HH22  ARG  17          2HH2      ARG  17 -16.061 -15.913   6.187
  109    H    LEU  18           H        LEU  18 -10.210  -9.880   3.961
  110    HA   LEU  18           HA       LEU  18 -10.785  -8.589   6.498
  111    HB3  LEU  18           1HB      LEU  18  -8.690  -8.397   5.121
  112    HG   LEU  18           HG       LEU  18  -9.713  -7.322   2.982
  113   HD11  LEU  18          1HD1      LEU  18  -9.831  -4.942   4.858
  114   HD12  LEU  18          2HD1      LEU  18 -11.103  -5.540   3.772
  115   HD13  LEU  18          3HD1      LEU  18  -9.681  -4.768   3.099
  116   HD21  LEU  18          3HD2      LEU  18  -7.686  -5.894   2.737
  117   HD22  LEU  18          1HD2      LEU  18  -7.304  -7.463   3.458
  118   HD23  LEU  18          2HD2      LEU  18  -7.403  -6.016   4.489
  119    H    ALA  19           H        ALA  19 -11.599  -6.260   6.651
  120    HA   ALA  19           HA       ALA  19 -13.988  -5.822   4.895
  121    HB1  ALA  19           3HB      ALA  19 -14.707  -7.090   6.868
  122    HB2  ALA  19           1HB      ALA  19 -13.981  -5.870   7.945
  123    HB3  ALA  19           2HB      ALA  19 -15.357  -5.437   6.899
  124    H    GLY  20           H        GLY  20 -11.899  -4.242   7.388
  125    HA2  GLY  20           1HA      GLY  20 -13.045  -1.635   6.848
  126    HA3  GLY  20           2HA      GLY  20 -11.637  -1.985   7.866
  127    HA   PRO  21           HA       PRO  21 -10.435   0.037   3.700
  128    HB3  PRO  21           1HB      PRO  21 -11.277   2.146   4.093
  129    HG3  PRO  21           1HG      PRO  21 -11.689   2.916   6.292
  130    HD3  PRO  21           1HD      PRO  21 -12.776   0.822   6.204
  131    H    THR  22           H        THR  22  -8.679  -1.124   3.363
  132    HA   THR  22           HA       THR  22  -6.269  -0.821   5.150
  133    HB   THR  22           HB       THR  22  -7.244  -3.378   3.825
  134    HG1  THR  22           HG1      THR  22  -8.537  -2.817   5.561
  135   HG21  THR  22          3HG2      THR  22  -4.803  -3.360   4.095
  136   HG22  THR  22          1HG2      THR  22  -5.516  -4.412   5.320
  137   HG23  THR  22          2HG2      THR  22  -4.952  -2.784   5.771
  138    H    LEU  23           H        LEU  23  -4.702   0.137   4.026
  139    HA   LEU  23           HA       LEU  23  -4.480  -0.255   1.104
  140    HB3  LEU  23           1HB      LEU  23  -2.787   1.347   3.065
  141    HG   LEU  23           HG       LEU  23  -1.490   0.919   1.032
  142   HD11  LEU  23          1HD1      LEU  23  -2.878   0.291  -0.651
  143   HD12  LEU  23          2HD1      LEU  23  -2.605   1.959  -1.151
  144   HD13  LEU  23          3HD1      LEU  23  -4.095   1.531  -0.290
  145   HD21  LEU  23          3HD2      LEU  23  -2.695   3.688   0.966
  146   HD22  LEU  23          1HD2      LEU  23  -1.143   3.191   0.257
  147   HD23  LEU  23          2HD2      LEU  23  -1.353   3.139   2.009
  148    H    VAL  24           H        VAL  24  -3.250  -1.814   0.252
  149    HA   VAL  24           HA       VAL  24  -1.247  -3.227   1.977
  150    HB   VAL  24           HB       VAL  24  -2.639  -4.211  -0.556
  151   HG11  VAL  24          1HG1      VAL  24  -0.416  -5.255  -0.192
  152   HG12  VAL  24          2HG1      VAL  24  -0.896  -5.688   1.468
  153   HG13  VAL  24          3HG1      VAL  24  -1.710  -6.416   0.063
  154   HG21  VAL  24          3HG2      VAL  24  -3.935  -5.689   0.926
  155   HG22  VAL  24          1HG2      VAL  24  -3.199  -4.942   2.360
  156   HG23  VAL  24          2HG2      VAL  24  -4.271  -4.007   1.290
  157    H    GLU  25           H        GLU  25   0.757  -2.678   1.653
  158    HA   GLU  25           HA       GLU  25   1.563  -1.398  -0.913
  159    HB3  GLU  25           1HB      GLU  25   2.594  -1.175   1.931
  160    HG3  GLU  25           1HG      GLU  25   3.409   0.514  -0.460
  161    H    PHE  26           H        PHE  26   3.059  -2.261  -2.174
  162    HA   PHE  26           HA       PHE  26   4.649  -4.587  -1.231
  163    HB3  PHE  26           1HB      PHE  26   4.866  -5.148  -3.580
  164    HD1  PHE  26           HD1      PHE  26   3.085  -6.323  -1.732
  165    HD2  PHE  26           HD2      PHE  26   2.112  -3.691  -5.005
  166    HE1  PHE  26           HE1      PHE  26   0.717  -7.069  -1.635
  167    HE2  PHE  26           HE2      PHE  26  -0.212  -4.555  -4.995
  168    HZ   PHE  26           HZ       PHE  26  -0.939  -6.151  -3.245
  169    H    GLY  27           H        GLY  27   6.765  -4.370  -0.901
  170    HA2  GLY  27           1HA      GLY  27   8.578  -2.730  -2.331
  171    HA3  GLY  27           2HA      GLY  27   8.026  -1.817  -0.947
  172    H    THR  28           H        THR  28  10.307  -1.880  -0.312
  173    HA   THR  28           HA       THR  28  10.732  -3.922   1.732
  174    HB   THR  28           HB       THR  28  13.118  -4.216   1.236
  175    HG1  THR  28           HG1      THR  28  13.792  -3.606  -0.912
  176   HG21  THR  28          3HG2      THR  28  12.986  -5.790  -0.581
  177   HG22  THR  28          1HG2      THR  28  11.489  -5.057  -1.178
  178   HG23  THR  28          2HG2      THR  28  11.511  -5.900   0.379
  179    H    ASP  29           H        ASP  29  12.835  -3.115   3.046
  180    HA   ASP  29           HA       ASP  29  12.249  -0.293   3.679
  181    HB3  ASP  29           1HB      ASP  29  12.441  -1.940   5.495
  182    H    TRP  30           H        TRP  30  14.224  -1.842   1.486
  183    HA   TRP  30           HA       TRP  30  16.465   0.124   1.712
  184    HB3  TRP  30           1HB      TRP  30  17.159  -1.966   2.527
  185    HD1  TRP  30           HD       TRP  30  15.839  -4.116   2.966
  186    HE1  TRP  30           HE1      TRP  30  15.187  -6.180   1.607
  187    HE3  TRP  30           HE3      TRP  30  17.249  -2.489  -1.682
  188    HZ2  TRP  30           HZ2      TRP  30  15.108  -6.953  -1.193
  189    HZ3  TRP  30           HZ3      TRP  30  16.886  -3.905  -3.659
  190    HH2  TRP  30           HH       TRP  30  15.807  -6.142  -3.444
  191    H    CYS  31           H        CYS  31  14.162  -1.113  -0.667
  192    HA   CYS  31           HA       CYS  31  15.763  -0.512  -2.977
  193    HB2  CYS  31           1HB      CYS  31  13.750  -1.896  -3.130
  194    HB3  CYS  31           2HB      CYS  31  12.738  -0.534  -2.631
  195    H    GLY  32           H        GLY  32  15.972   1.298  -4.244
  196    HA2  GLY  32           1HA      GLY  32  15.809   3.905  -3.030
  197    HA3  GLY  32           2HA      GLY  32  16.218   3.564  -4.707
  198    H    HIS  33           H        HIS  33  13.489   2.117  -5.063
  199    HA   HIS  33           HA       HIS  33  11.769   4.426  -5.591
  200    HB2  HIS  33           1HB      HIS  33  10.971   1.499  -5.177
  201    HB3  HIS  33           2HB      HIS  33  10.034   2.771  -5.946
  202    HD1  HIS  33           HD1      HIS  33  12.214  -0.042  -6.810
  203    HD2  HIS  33           HD2      HIS  33  11.024   3.649  -8.408
  204    HE1  HIS  33           HE1      HIS  33  12.294  -0.309  -9.363
  205    H    CYS  34           H        CYS  34  11.980   1.921  -3.056
  206    HA   CYS  34           HA       CYS  34   9.745   2.814  -1.516
  207    HB3  CYS  34           1HB      CYS  34  11.174   1.522   0.307
  208    HG   CYS  34           HG       CYS  34  10.141   0.268  -2.635
  209    H    GLN  35           H        GLN  35  13.198   3.745  -1.364
  210    HA   GLN  35           HA       GLN  35  12.971   5.149   1.084
  211    HB3  GLN  35           1HB      GLN  35  14.994   6.396   0.417
  212    HG3  GLN  35           1HG      GLN  35  16.551   4.710   0.037
  213   HE21  GLN  35          2HE2      GLN  35  14.359   2.113   0.182
  214   HE22  GLN  35          1HE2      GLN  35  14.461   1.884   1.937
  215    H    ALA  36           H        ALA  36  11.888   6.025  -2.072
  216    HA   ALA  36           HA       ALA  36  11.334   8.876  -1.439
  217    HB1  ALA  36           3HB      ALA  36  10.835   7.197  -3.943
  218    HB2  ALA  36           1HB      ALA  36  10.632   8.956  -3.787
  219    HB3  ALA  36           2HB      ALA  36  12.252   8.234  -3.653
  220    H    ALA  37           H        ALA  37   9.533   5.804  -2.011
  221    HA   ALA  37           HA       ALA  37   6.942   7.133  -1.815
  222    HB1  ALA  37           3HB      ALA  37   7.669   4.188  -1.927
  223    HB2  ALA  37           1HB      ALA  37   6.042   4.904  -2.136
  224    HB3  ALA  37           2HB      ALA  37   7.311   5.250  -3.321
  225    H    GLN  38           H        GLN  38   9.003   5.328   0.443
  226    HA   GLN  38           HA       GLN  38   7.074   4.719   2.458
  227    HB3  GLN  38           1HB      GLN  38   9.181   4.879   3.968
  228    HG3  GLN  38           1HG      GLN  38   9.067   2.984   1.582
  229   HE21  GLN  38          2HE2      GLN  38   9.889   1.650   4.725
  230   HE22  GLN  38          1HE2      GLN  38  11.588   1.481   4.348
  231    HA   PRO  39           HA       PRO  39   7.833   8.908   4.610
  232    HB3  PRO  39           1HB      PRO  39   9.969   9.727   4.333
  233    HG3  PRO  39           1HG      PRO  39  11.092   9.571   2.241
  234    HD3  PRO  39           1HD      PRO  39  10.465   7.387   2.873
  235    H    LEU  40           H        LEU  40   7.039   8.551   1.234
  236    HA   LEU  40           HA       LEU  40   5.332  10.888   0.968
  237    HB3  LEU  40           1HB      LEU  40   4.623   8.473  -0.614
  238    HG   LEU  40           HG       LEU  40   4.757   9.721  -2.502
  239   HD11  LEU  40          1HD1      LEU  40   3.013  10.567  -0.779
  240   HD12  LEU  40          2HD1      LEU  40   3.363  11.544  -2.210
  241   HD13  LEU  40          3HD1      LEU  40   4.054  11.981  -0.622
  242   HD21  LEU  40          3HD2      LEU  40   5.912  11.860  -2.794
  243   HD22  LEU  40          1HD2      LEU  40   7.024  10.579  -2.299
  244   HD23  LEU  40          2HD2      LEU  40   6.501  11.792  -1.113
  245    H    LEU  41           H        LEU  41   4.700   7.393   1.467
  246    HA   LEU  41           HA       LEU  41   1.932   7.634   2.032
  247    HB3  LEU  41           1HB      LEU  41   2.468   5.424   3.420
  248    HG   LEU  41           HG       LEU  41   2.299   4.002   1.582
  249   HD11  LEU  41          1HD1      LEU  41   0.460   4.799   0.305
  250   HD12  LEU  41          2HD1      LEU  41   0.804   6.488   0.717
  251   HD13  LEU  41          3HD1      LEU  41   0.310   5.346   1.985
  252   HD21  LEU  41          3HD2      LEU  41   4.141   4.698   0.231
  253   HD22  LEU  41          1HD2      LEU  41   3.378   6.249  -0.137
  254   HD23  LEU  41          2HD2      LEU  41   2.679   4.737  -0.762
  255    H    ALA  42           H        ALA  42   4.766   7.695   4.166
  256    HA   ALA  42           HA       ALA  42   3.411   7.889   6.649
  257    HB1  ALA  42           3HB      ALA  42   5.528   8.788   7.496
  258    HB2  ALA  42           1HB      ALA  42   5.864   7.482   6.328
  259    HB3  ALA  42           2HB      ALA  42   6.053   9.187   5.851
  260    H    GLU  43           H        GLU  43   4.128  10.497   4.306
  261    HA   GLU  43           HA       GLU  43   3.185  12.615   6.057
  262    HB3  GLU  43           1HB      GLU  43   3.116  13.914   3.825
  263    HG3  GLU  43           1HG      GLU  43   5.666  13.812   3.625
  264    H    VAL  44           H        VAL  44   1.671  10.892   3.245
  265    HA   VAL  44           HA       VAL  44  -0.802  12.319   3.495
  266    HB   VAL  44           HB       VAL  44  -0.426  11.357   1.445
  267   HG11  VAL  44          1HG1      VAL  44  -0.317   9.066   0.880
  268   HG12  VAL  44          2HG1      VAL  44   0.995   9.495   1.946
  269   HG13  VAL  44          3HG1      VAL  44  -0.392   8.560   2.590
  270   HG21  VAL  44          3HG2      VAL  44  -2.456  10.136   0.986
  271   HG22  VAL  44          1HG2      VAL  44  -2.594   9.639   2.680
  272   HG23  VAL  44          2HG2      VAL  44  -2.809  11.333   2.249
  273    H    PHE  45           H        PHE  45   0.117   9.132   4.817
  274    HA   PHE  45           HA       PHE  45  -2.369   8.403   5.940
  275    HB3  PHE  45           1HB      PHE  45  -0.574   7.301   7.721
  276    HD1  PHE  45           HD2      PHE  45  -2.858   6.123   7.356
  277    HD2  PHE  45           HD1      PHE  45   0.486   5.833   4.634
  278    HE1  PHE  45           HE2      PHE  45  -3.671   3.931   6.543
  279    HE2  PHE  45           HE1      PHE  45  -0.327   3.647   3.886
  280    HZ   PHE  45           HZ       PHE  45  -2.424   2.691   4.813
  281    H    SER  46           H        SER  46  -0.070  10.754   7.285
  282    HA   SER  46           HA       SER  46  -1.070  10.781   9.964
  283    HB3  SER  46           1HB      SER  46  -0.145  13.109  10.012
  284    HG   SER  46           HG       SER  46   2.032  12.399   9.602
  285    H    ASP  47           H        ASP  47  -2.600  11.985   7.045
  286    HA   ASP  47           HA       ASP  47  -4.562  13.546   8.651
  287    HB3  ASP  47           1HB      ASP  47  -4.469  13.269   5.642
  288    H    TYR  48           H        TYR  48  -4.136  10.396   7.527
  289    HA   TYR  48           HA       TYR  48  -7.050   9.753   7.699
  290    HB3  TYR  48           1HB      TYR  48  -6.895   8.260   5.816
  291    HD1  TYR  48           HD2      TYR  48  -8.454  10.242   5.374
  292    HD2  TYR  48           HD1      TYR  48  -4.282  10.276   4.365
  293    HE1  TYR  48           HE2      TYR  48  -8.849  12.142   3.832
  294    HE2  TYR  48           HE1      TYR  48  -4.621  12.299   2.974
  295    HH   TYR  48           HH       TYR  48  -6.141  13.822   2.161
  296    HA   PRO  49           HA       PRO  49  -4.071   6.946  10.218
  297    HB3  PRO  49           1HB      PRO  49  -3.628   8.423  11.934
  298    HG3  PRO  49           1HG      PRO  49  -5.169  10.171  12.491
  299    HD3  PRO  49           1HD      PRO  49  -4.671  10.348  10.198
  300    H    GLU  50           H        GLU  50  -7.578   7.445  10.178
  301    HA   GLU  50           HA       GLU  50  -8.273   4.939  11.380
  302    HB3  GLU  50           1HB      GLU  50  -9.815   6.837  11.192
  303    HG3  GLU  50           1HG      GLU  50 -10.015   6.157   8.220
  304    H    VAL  51           H        VAL  51  -6.803   5.528   8.326
  305    HA   VAL  51           HA       VAL  51  -7.786   3.022   7.081
  306    HB   VAL  51           HB       VAL  51  -5.642   4.969   6.134
  307   HG11  VAL  51          1HG1      VAL  51  -6.977   2.643   4.670
  308   HG12  VAL  51          2HG1      VAL  51  -5.887   3.837   3.940
  309   HG13  VAL  51          3HG1      VAL  51  -5.272   2.735   5.167
  310   HG21  VAL  51          3HG2      VAL  51  -7.317   5.688   4.475
  311   HG22  VAL  51          1HG2      VAL  51  -8.524   4.615   5.224
  312   HG23  VAL  51          2HG2      VAL  51  -7.867   6.010   6.119
  313    H    GLY  52           H        GLY  52  -6.607   1.122   7.067
  314    HA2  GLY  52           1HA      GLY  52  -4.259   0.846   8.899
  315    HA3  GLY  52           2HA      GLY  52  -5.205  -0.459   8.150
  316    H    HIS  53           H        HIS  53  -2.272  -0.125   8.201
  317    HA   HIS  53           HA       HIS  53  -1.835  -0.150   5.243
  318    HB2  HIS  53           1HB      HIS  53  -0.835   1.834   6.646
  319    HB3  HIS  53           2HB      HIS  53   0.333   0.657   7.201
  320    HD1  HIS  53           HD1      HIS  53   2.248   2.116   5.844
  321    HD2  HIS  53           HD2      HIS  53  -0.821   0.465   3.496
  322    HE1  HIS  53           HE1      HIS  53   2.945   2.370   3.381
  323    H    LEU  54           H        LEU  54  -1.116  -2.059   4.509
  324    HA   LEU  54           HA       LEU  54   0.317  -3.946   6.338
  325    HB3  LEU  54           1HB      LEU  54  -1.406  -4.448   3.895
  326    HG   LEU  54           HG       LEU  54   0.351  -6.158   3.945
  327   HD11  LEU  54          1HD1      LEU  54   1.073  -6.087   6.276
  328   HD12  LEU  54          2HD1      LEU  54   0.546  -7.731   5.873
  329   HD13  LEU  54          3HD1      LEU  54  -0.517  -6.672   6.824
  330   HD21  LEU  54          3HD2      LEU  54  -1.950  -6.795   3.308
  331   HD22  LEU  54          1HD2      LEU  54  -2.309  -7.208   4.998
  332   HD23  LEU  54          2HD2      LEU  54  -1.099  -8.135   4.080
  333    H    LYS  55           H        LYS  55   2.417  -3.440   6.082
  334    HA   LYS  55           HA       LYS  55   3.670  -2.780   3.504
  335    HB3  LYS  55           1HB      LYS  55   5.724  -2.909   4.947
  336    HG3  LYS  55           1HG      LYS  55   3.579  -0.911   5.251
  337    HD3  LYS  55           1HD      LYS  55   4.897   0.426   6.787
  338    HE3  LYS  55           1HE      LYS  55   4.151  -2.312   7.907
  339    HZ1  LYS  55           3HZ      LYS  55   5.576  -1.108   9.447
  340    HZ2  LYS  55           1HZ      LYS  55   4.062  -1.227  10.047
  341    HZ3  LYS  55           2HZ      LYS  55   4.569   0.194   9.429
  342    H    VAL  56           H        VAL  56   3.615  -4.607   2.105
  343    HA   VAL  56           HA       VAL  56   4.642  -7.205   3.177
  344    HB   VAL  56           HB       VAL  56   3.390  -6.693   0.459
  345   HG11  VAL  56          1HG1      VAL  56   3.203  -9.232   0.509
  346   HG12  VAL  56          2HG1      VAL  56   4.855  -8.631   0.395
  347   HG13  VAL  56          3HG1      VAL  56   4.224  -9.222   1.948
  348   HG21  VAL  56          3HG2      VAL  56   1.660  -6.331   2.038
  349   HG22  VAL  56          1HG2      VAL  56   1.466  -8.009   1.524
  350   HG23  VAL  56          2HG2      VAL  56   2.216  -7.666   3.091
  351    H    GLU  57           H        GLU  57   6.570  -7.726   3.029
  352    HA   GLU  57           HA       GLU  57   8.527  -6.321   1.495
  353    HB3  GLU  57           1HB      GLU  57   9.017  -8.990   2.815
  354    HG3  GLU  57           1HG      GLU  57  10.533  -6.371   2.609
  355    H    ASP  58           H        ASP  58   8.193  -6.430  -0.637
  356    HA   ASP  58           HA       ASP  58   7.360  -8.967  -1.930
  357    HB3  ASP  58           1HB      ASP  58   7.227  -6.213  -3.173
  358    H    GLY  59           H        GLY  59  10.234  -7.785  -1.414
  359    HA2  GLY  59           1HA      GLY  59  11.477  -7.749  -4.083
  360    HA3  GLY  59           2HA      GLY  59  12.288  -7.597  -2.515
  361    HA   PRO  60           HA       PRO  60  13.254 -12.008  -2.416
  362    HB3  PRO  60           1HB      PRO  60  12.667 -13.169  -0.448
  363    HG3  PRO  60           1HG      PRO  60  13.261 -10.960   0.300
  364    HD3  PRO  60           1HD      PRO  60  12.102  -9.076  -0.493
  365    H    GLY  61           H        GLY  61  12.348 -14.371  -2.721
  366    HA2  GLY  61           1HA      GLY  61  10.739 -14.494  -5.099
  367    HA3  GLY  61           2HA      GLY  61  11.254 -15.871  -4.110
  368    H    ARG  62           H        ARG  62   9.914 -14.756  -1.683
  369    HA   ARG  62           HA       ARG  62   7.115 -15.510  -2.170
  370    HB3  ARG  62           1HB      ARG  62   8.380 -14.398   0.372
  371    HG3  ARG  62           1HG      ARG  62   5.889 -16.077  -0.176
  372    HD3  ARG  62           1HD      ARG  62   6.846 -14.985   2.504
  373    HE   ARG  62           HE       ARG  62   4.896 -17.202   2.126
  374   HH11  ARG  62          1HH1      ARG  62   5.301 -13.820   3.242
  375   HH12  ARG  62          2HH1      ARG  62   3.627 -13.768   3.752
  376   HH21  ARG  62          1HH2      ARG  62   2.786 -16.963   2.932
  377   HH22  ARG  62          2HH2      ARG  62   2.318 -15.424   3.616
  378    H    ARG  63           H        ARG  63   5.589 -14.122  -2.804
  379    HA   ARG  63           HA       ARG  63   5.815 -11.177  -2.393
  380    HB3  ARG  63           1HB      ARG  63   5.226 -10.846  -4.799
  381    HG3  ARG  63           1HG      ARG  63   7.846 -12.377  -4.558
  382    HD3  ARG  63           1HD      ARG  63   7.220 -11.753  -6.854
  383    HE   ARG  63           HE       ARG  63   6.795  -9.073  -5.667
  384   HH11  ARG  63          1HH1      ARG  63   7.159 -10.757  -8.770
  385   HH12  ARG  63          2HH1      ARG  63   6.276  -9.518  -9.608
  386   HH21  ARG  63          1HH2      ARG  63   5.705  -7.624  -6.725
  387   HH22  ARG  63          2HH2      ARG  63   5.443  -7.724  -8.468
  388    H    LEU  64           H        LEU  64   3.915 -10.046  -2.680
  389    HA   LEU  64           HA       LEU  64   1.344 -11.602  -2.967
  390    HB3  LEU  64           1HB      LEU  64   1.824  -9.073  -1.354
  391    HG   LEU  64           HG       LEU  64  -0.514  -9.320  -2.079
  392   HD11  LEU  64          1HD1      LEU  64  -0.764 -11.717  -2.453
  393   HD12  LEU  64          2HD1      LEU  64  -1.897 -11.221  -1.202
  394   HD13  LEU  64          3HD1      LEU  64  -0.401 -12.057  -0.740
  395   HD21  LEU  64          3HD2      LEU  64  -0.132  -8.342   0.090
  396   HD22  LEU  64          1HD2      LEU  64  -0.024  -9.951   0.859
  397   HD23  LEU  64          2HD2      LEU  64  -1.557  -9.377   0.189
  398    H    GLY  65           H        GLY  65   3.179  -8.651  -3.912
  399    HA2  GLY  65           1HA      GLY  65   1.155  -7.499  -5.568
  400    HA3  GLY  65           2HA      GLY  65   2.907  -7.251  -5.725
  401    H    ARG  66           H        ARG  66   3.190 -10.254  -6.141
  402    HA   ARG  66           HA       ARG  66   2.866 -10.660  -8.938
  403    HB3  ARG  66           1HB      ARG  66   2.933 -12.645  -6.625
  404    HG3  ARG  66           1HG      ARG  66   3.687 -13.080  -9.557
  405    HD3  ARG  66           1HD      ARG  66   3.826 -15.473  -8.843
  406    HE   ARG  66           HE       ARG  66   5.906 -14.070  -8.860
  407   HH11  ARG  66          1HH1      ARG  66   4.853 -15.578  -5.810
  408   HH12  ARG  66          2HH1      ARG  66   6.490 -15.569  -5.192
  409   HH21  ARG  66          1HH2      ARG  66   7.953 -14.209  -7.976
  410   HH22  ARG  66          2HH2      ARG  66   8.153 -14.814  -6.343
  411    H    SER  67           H        SER  67   0.677 -11.490  -6.202
  412    HA   SER  67           HA       SER  67  -1.358 -12.669  -8.011
  413    HB3  SER  67           1HB      SER  67  -2.543 -13.154  -5.891
  414    HG   SER  67           HG       SER  67   0.230 -13.842  -5.665
  415    H    PHE  68           H        PHE  68  -0.682  -9.539  -6.838
  416    HA   PHE  68           HA       PHE  68  -3.406  -8.549  -7.531
  417    HB3  PHE  68           1HB      PHE  68  -2.175  -6.298  -7.082
  418    HD1  PHE  68           HD1      PHE  68  -1.360  -8.630  -4.345
  419    HD2  PHE  68           HD2      PHE  68  -4.303  -6.005  -6.037
  420    HE1  PHE  68           HE1      PHE  68  -2.599  -8.678  -2.197
  421    HE2  PHE  68           HE2      PHE  68  -5.598  -6.071  -3.904
  422    HZ   PHE  68           HZ       PHE  68  -4.745  -7.390  -1.983
  423    H    GLN  69           H        GLN  69  -0.675  -9.563  -9.219
  424    HA   GLN  69           HA       GLN  69   0.193  -9.194 -11.287
  425    HB3  GLN  69           1HB      GLN  69  -1.488  -8.754 -13.065
  426    HG3  GLN  69           1HG      GLN  69  -1.077 -11.015 -12.033
  427   HE21  GLN  69          2HE2      GLN  69  -4.032  -9.470 -10.581
  428   HE22  GLN  69          1HE2      GLN  69  -4.141 -10.731  -9.362
  429    H    VAL  70           H        VAL  70   0.934  -7.272  -9.629
  430    HA   VAL  70           HA       VAL  70   0.246  -4.595 -10.154
  431    HB   VAL  70           HB       VAL  70   2.624  -5.967  -8.889
  432   HG11  VAL  70          1HG1      VAL  70   3.642  -3.922  -9.680
  433   HG12  VAL  70          2HG1      VAL  70   2.259  -2.960  -9.091
  434   HG13  VAL  70          3HG1      VAL  70   3.343  -3.778  -7.945
  435   HG21  VAL  70          3HG2      VAL  70   0.438  -4.169  -7.747
  436   HG22  VAL  70          1HG2      VAL  70   0.358  -5.934  -7.786
  437   HG23  VAL  70          2HG2      VAL  70   1.629  -5.141  -6.859
  438    H    LYS  71           H        LYS  71   0.981  -2.942 -11.370
  439    HA   LYS  71           HA       LYS  71   2.156  -3.547 -13.957
  440    HB3  LYS  71           1HB      LYS  71   1.806  -1.169 -14.386
  441    HG3  LYS  71           1HG      LYS  71  -0.519  -0.832 -14.003
  442    HD3  LYS  71           1HD      LYS  71   0.227  -2.736 -15.653
  443    HE3  LYS  71           1HE      LYS  71  -1.315  -4.277 -13.501
  444    HZ1  LYS  71           3HZ      LYS  71  -0.293  -5.227 -16.116
  445    HZ2  LYS  71           1HZ      LYS  71  -1.879  -4.981 -15.754
  446    HZ3  LYS  71           2HZ      LYS  71  -1.029  -6.144 -14.977
  447    H    LEU  72           H        LEU  72   3.274  -1.516 -11.246
  448    HA   LEU  72           HA       LEU  72   6.102  -1.955 -12.041
  449    HB3  LEU  72           1HB      LEU  72   5.112   0.718 -10.991
  450    HG   LEU  72           HG       LEU  72   7.642   0.056 -10.970
  451   HD11  LEU  72          1HD1      LEU  72   7.724  -0.971 -13.222
  452   HD12  LEU  72          2HD1      LEU  72   8.817   0.417 -13.114
  453   HD13  LEU  72          3HD1      LEU  72   7.261   0.579 -13.953
  454   HD21  LEU  72          3HD2      LEU  72   8.298   2.334 -11.643
  455   HD22  LEU  72          1HD2      LEU  72   6.839   2.348 -10.640
  456   HD23  LEU  72          2HD2      LEU  72   6.698   2.575 -12.400
  457    H    TRP  73           H        TRP  73   7.445  -2.250 -10.262
  458    HA   TRP  73           HA       TRP  73   6.226  -3.636  -8.194
  459    HB3  TRP  73           1HB      TRP  73   8.963  -2.394  -8.201
  460    HD1  TRP  73           HD       TRP  73   7.686  -5.954  -7.331
  461    HE1  TRP  73           HE1      TRP  73   8.529  -6.570  -4.984
  462    HE3  TRP  73           HE3      TRP  73   9.862  -1.497  -6.094
  463    HZ2  TRP  73           HZ2      TRP  73  10.309  -5.391  -3.011
  464    HZ3  TRP  73           HZ3      TRP  73  11.089  -1.266  -3.968
  465    HH2  TRP  73           HH       TRP  73  11.423  -3.200  -2.479
  466    HA   PRO  74           HA       PRO  74   6.604  -0.219  -4.982
  467    HB3  PRO  74           1HB      PRO  74   8.373   1.198  -5.468
  468    HG3  PRO  74           1HG      PRO  74   8.659   2.119  -7.677
  469    HD3  PRO  74           1HD      PRO  74   8.658  -0.195  -8.017
  470    H    THR  75           H        THR  75   4.432  -1.008  -5.266
  471    HA   THR  75           HA       THR  75   2.374   1.016  -6.047
  472    HB   THR  75           HB       THR  75   2.578  -1.916  -6.820
  473    HG1  THR  75           HG1      THR  75   3.331  -0.717  -8.406
  474   HG21  THR  75          3HG2      THR  75   0.238  -1.690  -6.115
  475   HG22  THR  75          1HG2      THR  75   0.340  -1.685  -7.873
  476   HG23  THR  75          2HG2      THR  75   0.088  -0.156  -7.004
  477    H    PHE  76           H        PHE  76   0.570   1.005  -4.865
  478    HA   PHE  76           HA       PHE  76   0.260  -0.980  -2.708
  479    HB3  PHE  76           1HB      PHE  76   1.072   0.642  -1.269
  480    HD1  PHE  76           HD1      PHE  76   2.856   1.741  -2.635
  481    HD2  PHE  76           HD2      PHE  76  -1.156   3.281  -2.247
  482    HE1  PHE  76           HE1      PHE  76   3.625   3.953  -3.482
  483    HE2  PHE  76           HE2      PHE  76  -0.377   5.473  -3.000
  484    HZ   PHE  76           HZ       PHE  76   1.990   5.796  -3.705
  485    H    VAL  77           H        VAL  77  -1.675  -1.740  -2.520
  486    HA   VAL  77           HA       VAL  77  -3.820  -0.748  -4.340
  487    HB   VAL  77           HB       VAL  77  -3.456  -3.533  -3.201
  488   HG11  VAL  77          1HG1      VAL  77  -5.814  -2.936  -3.799
  489   HG12  VAL  77          2HG1      VAL  77  -5.270  -2.459  -5.405
  490   HG13  VAL  77          3HG1      VAL  77  -5.150  -4.138  -4.917
  491   HG21  VAL  77          3HG2      VAL  77  -2.714  -4.168  -5.475
  492   HG22  VAL  77          1HG2      VAL  77  -2.839  -2.485  -6.005
  493   HG23  VAL  77          2HG2      VAL  77  -1.638  -2.950  -4.801
  494    H    PHE  78           H        PHE  78  -5.600   0.049  -3.517
  495    HA   PHE  78           HA       PHE  78  -5.964   0.117  -0.561
  496    HB3  PHE  78           1HB      PHE  78  -7.790   1.713  -1.102
  497    HD1  PHE  78           HD2      PHE  78  -5.034   2.202  -3.605
  498    HD2  PHE  78           HD1      PHE  78  -6.599   3.383   0.241
  499    HE1  PHE  78           HE2      PHE  78  -3.277   3.919  -3.400
  500    HE2  PHE  78           HE1      PHE  78  -4.865   5.162   0.372
  501    HZ   PHE  78           HZ       PHE  78  -3.230   5.434  -1.492
  502    H    LEU  79           H        LEU  79  -7.089  -1.473   0.369
  503    HA   LEU  79           HA       LEU  79  -9.253  -2.835  -1.144
  504    HB3  LEU  79           1HB      LEU  79  -9.048  -4.492   0.851
  505    HG   LEU  79           HG       LEU  79  -8.491  -5.063  -1.490
  506   HD11  LEU  79          1HD1      LEU  79  -5.765  -4.032  -0.675
  507   HD12  LEU  79          2HD1      LEU  79  -6.809  -3.510  -2.022
  508   HD13  LEU  79          3HD1      LEU  79  -6.030  -5.101  -2.058
  509   HD21  LEU  79          3HD2      LEU  79  -6.663  -6.216   0.645
  510   HD22  LEU  79          1HD2      LEU  79  -7.061  -6.983  -0.903
  511   HD23  LEU  79          2HD2      LEU  79  -8.334  -6.717   0.301
  512    H    ARG  80           H        ARG  80 -11.171  -3.205  -0.153
  513    HA   ARG  80           HA       ARG  80 -11.882  -2.427   2.527
  514    HB3  ARG  80           1HB      ARG  80 -13.309  -0.771   0.415
  515    HG3  ARG  80           1HG      ARG  80 -12.830  -0.455   3.402
  516    HD3  ARG  80           1HD      ARG  80 -14.290   1.414   1.485
  517    HE   ARG  80           HE       ARG  80 -14.850   1.149   4.116
  518   HH11  ARG  80          1HH1      ARG  80 -13.094   3.800   2.477
  519   HH12  ARG  80          2HH1      ARG  80 -13.656   4.956   3.637
  520   HH21  ARG  80          1HH2      ARG  80 -15.454   2.728   5.578
  521   HH22  ARG  80          2HH2      ARG  80 -14.937   4.373   5.346
  522    H    ASP  81           H        ASP  81 -13.726  -3.451   3.135
  523    HA   ASP  81           HA       ASP  81 -15.331  -5.061   3.158
  524    HB3  ASP  81           1HB      ASP  81 -16.017  -4.276   0.299
  525    H    GLY  82           H        GLY  82 -12.628  -5.768   2.233
  526    HA2  GLY  82           1HA      GLY  82 -11.555  -7.772   1.755
  527    HA3  GLY  82           2HA      GLY  82 -13.104  -8.499   1.283
  528    H    ARG  83           H        ARG  83 -12.966  -5.733  -0.522
  529    HA   ARG  83           HA       ARG  83 -11.777  -7.126  -2.875
  530    HB3  ARG  83           1HB      ARG  83 -13.224  -5.442  -4.138
  531    HG3  ARG  83           1HG      ARG  83 -13.850  -7.892  -3.771
  532    HD3  ARG  83           1HD      ARG  83 -15.747  -6.470  -1.861
  533    HE   ARG  83           HE       ARG  83 -16.386  -8.655  -3.519
  534   HH11  ARG  83          1HH1      ARG  83 -16.447  -8.001  -0.038
  535   HH12  ARG  83          2HH1      ARG  83 -17.734  -9.144   0.237
  536   HH21  ARG  83          1HH2      ARG  83 -18.033 -10.129  -3.082
  537   HH22  ARG  83          2HH2      ARG  83 -18.604 -10.318  -1.453
  538    H    GLU  84           H        GLU  84 -10.628  -5.871  -4.331
  539    HA   GLU  84           HA       GLU  84  -9.107  -3.532  -3.369
  540    HB3  GLU  84           1HB      GLU  84  -9.260  -5.017  -5.996
  541    HG3  GLU  84           1HG      GLU  84  -7.748  -2.447  -5.415
  542    H    VAL  85           H        VAL  85  -9.840  -1.542  -3.353
  543    HA   VAL  85           HA       VAL  85 -12.249  -0.753  -4.969
  544    HB   VAL  85           HB       VAL  85 -12.279   1.274  -3.522
  545   HG11  VAL  85          1HG1      VAL  85 -12.590  -1.398  -2.087
  546   HG12  VAL  85          2HG1      VAL  85 -13.396   0.134  -1.677
  547   HG13  VAL  85          3HG1      VAL  85 -13.760  -0.687  -3.206
  548   HG21  VAL  85          3HG2      VAL  85 -10.452  -0.269  -1.646
  549   HG22  VAL  85          1HG2      VAL  85  -9.893   1.104  -2.623
  550   HG23  VAL  85          2HG2      VAL  85 -11.149   1.337  -1.391
  551    H    ALA  86           H        ALA  86  -8.822  -0.224  -4.677
  552    HA   ALA  86           HA       ALA  86  -8.585   1.147  -7.191
  553    HB1  ALA  86           3HB      ALA  86  -8.160   2.770  -4.633
  554    HB2  ALA  86           1HB      ALA  86  -7.702   3.309  -6.250
  555    HB3  ALA  86           2HB      ALA  86  -9.413   3.083  -5.874
  556    H    ARG  87           H        ARG  87  -6.236   2.016  -7.340
  557    HA   ARG  87           HA       ARG  87  -4.392   1.222  -5.277
  558    HB3  ARG  87           1HB      ARG  87  -4.488  -0.870  -6.502
  559    HG3  ARG  87           1HG      ARG  87  -3.385   0.703  -8.870
  560    HD3  ARG  87           1HD      ARG  87  -2.274  -1.467  -8.163
  561    HE   ARG  87           HE       ARG  87  -4.918  -2.536  -8.316
  562   HH11  ARG  87          1HH1      ARG  87  -1.769  -3.396  -9.718
  563   HH12  ARG  87          2HH1      ARG  87  -2.185  -5.097  -9.761
  564   HH21  ARG  87          1HH2      ARG  87  -5.295  -4.734  -8.302
  565   HH22  ARG  87          2HH2      ARG  87  -4.104  -5.817  -9.024
  566    H    VAL  88           H        VAL  88  -2.343   2.177  -5.501
  567    HA   VAL  88           HA       VAL  88  -2.106   4.314  -7.631
  568    HB   VAL  88           HB       VAL  88  -1.338   4.376  -4.731
  569   HG11  VAL  88          1HG1      VAL  88  -0.334   6.676  -5.203
  570   HG12  VAL  88          2HG1      VAL  88   0.564   5.379  -5.992
  571   HG13  VAL  88          3HG1      VAL  88  -0.562   6.363  -6.937
  572   HG21  VAL  88          3HG2      VAL  88  -3.001   6.421  -6.214
  573   HG22  VAL  88          1HG2      VAL  88  -3.665   5.087  -5.246
  574   HG23  VAL  88          2HG2      VAL  88  -2.685   6.323  -4.456
  575    H    VAL  89           H        VAL  89  -0.484   3.986  -8.924
  576    HA   VAL  89           HA       VAL  89   1.803   2.171  -8.217
  577    HB   VAL  89           HB       VAL  89   0.722   2.995 -10.944
  578   HG11  VAL  89          1HG1      VAL  89   2.915   0.992 -10.281
  579   HG12  VAL  89          2HG1      VAL  89   2.229   1.278 -11.894
  580   HG13  VAL  89          3HG1      VAL  89   3.122   2.559 -11.086
  581   HG21  VAL  89          3HG2      VAL  89  -0.027   0.694 -11.265
  582   HG22  VAL  89          1HG2      VAL  89   0.455   0.279  -9.615
  583   HG23  VAL  89          2HG2      VAL  89  -0.854   1.441  -9.899
  584    H    ARG  90           H        ARG  90   3.757   3.128  -8.032
  585    HA   ARG  90           HA       ARG  90   5.458   4.619  -8.087
  586    HB3  ARG  90           1HB      ARG  90   4.400   5.497 -10.780
  587    HG3  ARG  90           1HG      ARG  90   7.206   5.008  -9.678
  588    HD3  ARG  90           1HD      ARG  90   6.332   6.478 -12.199
  589    HE   ARG  90           HE       ARG  90   9.043   5.404 -11.509
  590   HH11  ARG  90          1HH1      ARG  90   7.119   8.286 -12.264
  591   HH12  ARG  90          2HH1      ARG  90   8.530   9.279 -12.499
  592   HH21  ARG  90          1HH2      ARG  90  10.810   6.741 -11.822
  593   HH22  ARG  90          2HH2      ARG  90  10.597   8.414 -12.224
  594    HA   PRO  91           HA       PRO  91   2.704   8.217  -6.652
  595    HB3  PRO  91           1HB      PRO  91   2.755   7.642  -4.493
  596    HG3  PRO  91           1HG      PRO  91   4.482   6.211  -3.643
  597    HD3  PRO  91           1HD      PRO  91   3.697   5.116  -5.591
  598    H    GLY  92           H        GLY  92   3.106  10.174  -7.557
  599    HA2  GLY  92           1HA      GLY  92   5.845  10.972  -8.336
  600    HA3  GLY  92           2HA      GLY  92   4.303  11.726  -8.824
  601    H    SER  93           H        SER  93   3.341  12.082  -6.099
  602    HA   SER  93           HA       SER  93   5.014  13.691  -4.434
  603    HB3  SER  93           1HB      SER  93   3.574  15.822  -5.011
  604    HG   SER  93           HG       SER  93   5.782  15.001  -6.619
  605    H    ALA  94           H        ALA  94   3.771  14.537  -2.605
  606    HA   ALA  94           HA       ALA  94   1.719  12.881  -1.677
  607    HB1  ALA  94           3HB      ALA  94   2.335  15.745  -0.851
  608    HB2  ALA  94           1HB      ALA  94   1.459  14.539   0.104
  609    HB3  ALA  94           2HB      ALA  94   3.171  14.293  -0.260
  610    H    SER  95           H        SER  95   1.280  15.940  -3.481
  611    HA   SER  95           HA       SER  95  -1.504  16.161  -3.273
  612    HB3  SER  95           1HB      SER  95  -1.375  17.465  -5.319
  613    HG   SER  95           HG       SER  95  -0.237  18.502  -3.642
  614    H    VAL  96           H        VAL  96   0.247  13.704  -5.107
  615    HA   VAL  96           HA       VAL  96  -2.202  12.876  -6.613
  616    HB   VAL  96           HB       VAL  96   0.636  11.743  -6.628
  617   HG11  VAL  96          1HG1      VAL  96  -1.740  11.149  -8.441
  618   HG12  VAL  96          2HG1      VAL  96  -0.071  10.593  -8.705
  619   HG13  VAL  96          3HG1      VAL  96  -0.978  10.024  -7.298
  620   HG21  VAL  96          3HG2      VAL  96   0.844  12.809  -8.856
  621   HG22  VAL  96          1HG2      VAL  96  -0.753  13.576  -8.630
  622   HG23  VAL  96          2HG2      VAL  96   0.617  14.012  -7.584
  623    H    LEU  97           H        LEU  97  -0.029  11.760  -3.990
  624    HA   LEU  97           HA       LEU  97  -1.405   9.240  -3.636
  625    HB3  LEU  97           1HB      LEU  97   0.002  10.248  -1.260
  626    HG   LEU  97           HG       LEU  97   0.682   8.068  -3.323
  627   HD11  LEU  97          1HD1      LEU  97   1.799   8.475  -0.519
  628   HD12  LEU  97          2HD1      LEU  97   2.647   8.710  -2.083
  629   HD13  LEU  97          3HD1      LEU  97   2.100   7.107  -1.626
  630   HD21  LEU  97          3HD2      LEU  97  -1.024   8.161  -0.828
  631   HD22  LEU  97          1HD2      LEU  97  -0.220   6.658  -1.269
  632   HD23  LEU  97          2HD2      LEU  97  -1.387   7.412  -2.376
  633    H    GLU  98           H        GLU  98  -1.542  12.307  -1.782
  634    HA   GLU  98           HA       GLU  98  -3.647  11.689  -0.023
  635    HB3  GLU  98           1HB      GLU  98  -4.071  14.160  -0.020
  636    HG3  GLU  98           1HG      GLU  98  -1.097  13.484   0.158
  637    H    GLU  99           H        GLU  99  -3.852  12.890  -3.408
  638    HA   GLU  99           HA       GLU  99  -6.643  13.324  -3.547
  639    HB3  GLU  99           1HB      GLU  99  -4.582  12.530  -5.628
  640    HG3  GLU  99           1HG      GLU  99  -7.502  13.156  -6.023
  641    H    ALA 100           H        ALA 100  -4.780  10.311  -3.866
  642    HA   ALA 100           HA       ALA 100  -7.187   8.746  -4.536
  643    HB1  ALA 100           3HB      ALA 100  -4.361   7.916  -3.749
  644    HB2  ALA 100           1HB      ALA 100  -5.639   6.838  -4.364
  645    HB3  ALA 100           2HB      ALA 100  -4.972   8.122  -5.406
  646    H    PHE 101           H        PHE 101  -5.190   9.324  -1.599
  647    HA   PHE 101           HA       PHE 101  -6.467   7.437   0.094
  648    HB3  PHE 101           1HB      PHE 101  -5.849   9.413   1.800
  649    HD1  PHE 101           HD2      PHE 101  -3.319   7.767  -0.568
  650    HD2  PHE 101           HD1      PHE 101  -5.154   7.850   3.352
  651    HE1  PHE 101           HE2      PHE 101  -1.734   6.097   0.230
  652    HE2  PHE 101           HE1      PHE 101  -3.524   6.156   4.135
  653    HZ   PHE 101           HZ       PHE 101  -1.776   5.310   2.537
  654    H    GLU 102           H        GLU 102  -7.258  10.936  -0.350
  655    HA   GLU 102           HA       GLU 102  -9.498  10.956   1.367
  656    HB3  GLU 102           1HB      GLU 102  -8.410  12.966   0.505
  657    HG3  GLU 102           1HG      GLU 102  -8.417  12.127  -1.985
  658    H    SER 103           H        SER 103  -9.230   9.976  -2.006
  659    HA   SER 103           HA       SER 103 -12.077   9.828  -2.487
  660    HB3  SER 103           1HB      SER 103 -10.994   8.331  -4.467
  661    HG   SER 103           HG       SER 103 -10.721  11.170  -4.193
  662    H    LEU 104           H        LEU 104  -9.739   7.580  -1.146
  663    HA   LEU 104           HA       LEU 104 -11.730   5.327  -1.342
  664    HB3  LEU 104           1HB      LEU 104  -9.718   3.972  -0.547
  665    HG   LEU 104           HG       LEU 104  -8.854   3.527  -2.603
  666   HD11  LEU 104          1HD1      LEU 104 -11.409   3.354  -2.483
  667   HD12  LEU 104          2HD1      LEU 104 -10.701   3.331  -4.098
  668   HD13  LEU 104          3HD1      LEU 104 -11.458   4.812  -3.498
  669   HD21  LEU 104          3HD2      LEU 104  -8.838   5.051  -4.576
  670   HD22  LEU 104          1HD2      LEU 104  -7.854   5.621  -3.225
  671   HD23  LEU 104          2HD2      LEU 104  -9.457   6.342  -3.566
  672    H    VAL 105           H        VAL 105 -10.154   7.374   1.035
  673    HA   VAL 105           HA       VAL 105 -11.160   5.920   3.304
  674    HB   VAL 105           HB       VAL 105  -9.341   7.822   3.159
  675   HG11  VAL 105          1HG1      VAL 105 -10.053  10.042   3.776
  676   HG12  VAL 105          2HG1      VAL 105 -10.905   9.571   2.308
  677   HG13  VAL 105          3HG1      VAL 105 -11.749   9.542   3.858
  678   HG21  VAL 105          3HG2      VAL 105 -10.028   6.553   5.185
  679   HG22  VAL 105          1HG2      VAL 105  -9.455   8.204   5.466
  680   HG23  VAL 105          2HG2      VAL 105 -11.203   7.843   5.543
  681    H    GLY 106           H        GLY 106 -12.558   8.225   1.068
  682    HA2  GLY 106           1HA      GLY 106 -14.824   8.588   0.631
  683    HA3  GLY 106           2HA      GLY 106 -15.270   7.893   2.208
  684    H    GLU 107           H        GLU 107 -12.812  10.457   1.845
  685    HA   GLU 107           HA       GLU 107 -14.363  12.183   3.644
  686    HB3  GLU 107           1HB      GLU 107 -12.190  13.698   2.972
  687    HG3  GLU 107           1HG      GLU 107 -11.015  12.619   4.921
  688    H    GLY 108           H        GLY 108 -13.568  12.130   0.217
  689    HA2  GLY 108           1HA      GLY 108 -14.631  13.170  -1.553
  690    HA3  GLY 108           2HA      GLY 108 -15.900  13.677  -0.408
  Start of MODEL   15
    1    H1   MET   1           H        MET   1   7.982  -7.755   9.608
    2    HA   MET   1           HA       MET   1   7.662  -7.293  12.133
    3    HB3  MET   1           1HB      MET   1   8.955  -5.214  12.868
    4    HG3  MET   1           1HG      MET   1  11.100  -6.414  13.285
    5    HE1  MET   1           3HE      MET   1   8.554  -5.760  15.061
    6    HE2  MET   1           1HE      MET   1   8.820  -6.918  16.383
    7    HE3  MET   1           2HE      MET   1  10.196  -6.038  15.681
    8    H    LYS   2           H        LYS   2   6.031  -5.940  12.652
    9    HA   LYS   2           HA       LYS   2   4.530  -5.008  10.435
   10    HB3  LYS   2           1HB      LYS   2   3.595  -6.067  12.446
   11    HG3  LYS   2           1HG      LYS   2   4.065  -3.380  13.844
   12    HD3  LYS   2           1HD      LYS   2   2.735  -5.950  14.810
   13    HE3  LYS   2           1HE      LYS   2   3.193  -3.240  16.157
   14    HZ1  LYS   2           3HZ      LYS   2   2.176  -4.330  18.071
   15    HZ2  LYS   2           1HZ      LYS   2   1.886  -5.686  17.208
   16    HZ3  LYS   2           2HZ      LYS   2   1.107  -4.300  16.836
   17    H    THR   3           H        THR   3   6.656  -3.101  12.428
   18    HA   THR   3           HA       THR   3   5.377  -0.525  11.914
   19    HB   THR   3           HB       THR   3   7.435   0.419  12.930
   20    HG1  THR   3           HG1      THR   3   9.009  -0.893  13.615
   21   HG21  THR   3          3HG2      THR   3   7.086  -0.469  15.175
   22   HG22  THR   3          1HG2      THR   3   6.272  -1.907  14.533
   23   HG23  THR   3          2HG2      THR   3   5.528  -0.296  14.366
   24    H    ARG   4           H        ARG   4   8.279  -2.124  10.746
   25    HA   ARG   4           HA       ARG   4   8.709  -0.187   8.559
   26    HB3  ARG   4           1HB      ARG   4  10.537  -0.789  10.019
   27    HG3  ARG   4           1HG      ARG   4  11.019  -3.393   8.674
   28    HD3  ARG   4           1HD      ARG   4  12.364  -2.148  10.517
   29    HE   ARG   4           HE       ARG   4  10.119  -2.332  12.046
   30   HH11  ARG   4          1HH1      ARG   4  13.315  -3.791  12.462
   31   HH12  ARG   4          2HH1      ARG   4  13.082  -4.037  14.164
   32   HH21  ARG   4          1HH2      ARG   4   9.861  -2.728  14.230
   33   HH22  ARG   4          2HH2      ARG   4  11.176  -3.384  15.162
   34    H    TYR   5           H        TYR   5   9.906  -2.048   6.686
   35    HA   TYR   5           HA       TYR   5   7.564  -3.310   5.496
   36    HB3  TYR   5           1HB      TYR   5   9.527  -4.394   4.072
   37    HD1  TYR   5           HD1      TYR   5   9.654  -0.661   4.292
   38    HD2  TYR   5           HD2      TYR   5   7.896  -4.106   2.396
   39    HE1  TYR   5           HE1      TYR   5   8.621   0.810   2.549
   40    HE2  TYR   5           HE2      TYR   5   6.842  -2.628   0.681
   41    HH   TYR   5           HH       TYR   5   6.816  -0.517  -0.225
   42    H    SER   6           H        SER   6   7.071  -5.493   5.273
   43    HA   SER   6           HA       SER   6   8.643  -7.378   6.997
   44    HB3  SER   6           1HB      SER   6   5.621  -7.288   6.796
   45    HG   SER   6           HG       SER   6   5.853  -8.660   8.642
   46    H    ALA   7           H        ALA   7   9.117  -9.285   6.156
   47    HA   ALA   7           HA       ALA   7   8.051 -10.177   3.566
   48    HB1  ALA   7           3HB      ALA   7   9.686 -12.011   3.880
   49    HB2  ALA   7           1HB      ALA   7  10.458 -10.446   4.171
   50    HB3  ALA   7           2HB      ALA   7   9.996 -11.478   5.539
   51    H    GLU   8           H        GLU   8   6.911 -10.364   6.738
   52    HA   GLU   8           HA       GLU   8   5.845 -13.101   6.585
   53    HB3  GLU   8           1HB      GLU   8   5.169 -12.701   8.932
   54    HG3  GLU   8           1HG      GLU   8   7.354 -12.214   9.970
   55    H    ALA   9           H        ALA   9   4.816 -10.932   4.819
   56    HA   ALA   9           HA       ALA   9   2.227 -10.083   5.632
   57    HB1  ALA   9           3HB      ALA   9   1.854  -9.614   3.210
   58    HB2  ALA   9           1HB      ALA   9   3.433  -9.016   3.782
   59    HB3  ALA   9           2HB      ALA   9   3.326 -10.518   2.822
   60    HA   PRO  10           HA       PRO  10  -0.408 -13.575   5.218
   61    HB3  PRO  10           1HB      PRO  10  -2.115 -12.209   5.987
   62    HG3  PRO  10           1HG      PRO  10  -2.349  -9.941   5.166
   63    HD3  PRO  10           1HD      PRO  10  -0.211 -10.284   6.144
   64    H    ALA  11           H        ALA  11  -1.518 -14.956   3.812
   65    HA   ALA  11           HA       ALA  11  -1.021 -14.742   0.908
   66    HB1  ALA  11           3HB      ALA  11  -2.604 -16.753   2.604
   67    HB2  ALA  11           1HB      ALA  11  -2.250 -16.927   0.867
   68    HB3  ALA  11           2HB      ALA  11  -0.920 -16.960   2.050
   69    H    ARG  12           H        ARG  12  -2.904 -14.764  -0.616
   70    HA   ARG  12           HA       ARG  12  -4.590 -12.573  -0.049
   71    HB3  ARG  12           1HB      ARG  12  -5.737 -14.145  -2.214
   72    HG3  ARG  12           1HG      ARG  12  -4.694 -12.262  -3.576
   73    HD3  ARG  12           1HD      ARG  12  -5.841 -10.328  -2.443
   74    HE   ARG  12           HE       ARG  12  -7.113 -11.860  -3.958
   75   HH11  ARG  12          1HH1      ARG  12  -8.032 -12.025  -0.536
   76   HH12  ARG  12          2HH1      ARG  12  -9.732 -12.056  -0.924
   77   HH21  ARG  12          1HH2      ARG  12  -9.318 -12.095  -4.344
   78   HH22  ARG  12          2HH2      ARG  12 -10.417 -12.218  -2.996
   79    H    ASP  13           H        ASP  13  -5.225 -15.982   0.507
   80    HA   ASP  13           HA       ASP  13  -8.056 -15.779   1.005
   81    HB3  ASP  13           1HB      ASP  13  -5.946 -17.680   2.101
   82    H    GLU  14           H        GLU  14  -5.219 -15.154   3.029
   83    HA   GLU  14           HA       GLU  14  -6.751 -14.921   5.523
   84    HB3  GLU  14           1HB      GLU  14  -4.477 -14.108   6.358
   85    HG3  GLU  14           1HG      GLU  14  -3.442 -16.365   6.259
   86    H    LEU  15           H        LEU  15  -5.310 -12.869   3.024
   87    HA   LEU  15           HA       LEU  15  -5.835 -10.291   4.157
   88    HB3  LEU  15           1HB      LEU  15  -5.827 -11.073   1.219
   89    HG   LEU  15           HG       LEU  15  -6.094  -8.571   2.022
   90   HD11  LEU  15          1HD1      LEU  15  -3.075  -8.924   2.278
   91   HD12  LEU  15          2HD1      LEU  15  -4.174  -8.717   3.670
   92   HD13  LEU  15          3HD1      LEU  15  -3.996  -7.418   2.477
   93   HD21  LEU  15          3HD2      LEU  15  -4.005  -9.525   0.030
   94   HD22  LEU  15          1HD2      LEU  15  -4.567  -7.848   0.171
   95   HD23  LEU  15          2HD2      LEU  15  -5.708  -9.123  -0.295
   96    H    ASP  16           H        ASP  16  -7.819 -12.543   2.274
   97    HA   ASP  16           HA       ASP  16  -9.972 -10.884   1.545
   98    HB3  ASP  16           1HB      ASP  16 -10.276 -13.794   2.403
   99    H    ARG  17           H        ARG  17  -9.115 -12.123   4.641
  100    HA   ARG  17           HA       ARG  17 -11.733 -12.022   5.887
  101    HB3  ARG  17           1HB      ARG  17 -10.591 -12.659   7.885
  102    HG3  ARG  17           1HG      ARG  17  -9.317 -14.658   7.249
  103    HD3  ARG  17           1HD      ARG  17 -11.661 -14.125   5.367
  104    HE   ARG  17           HE       ARG  17  -9.903 -15.879   4.567
  105   HH11  ARG  17          1HH1      ARG  17 -12.770 -16.666   6.491
  106   HH12  ARG  17          2HH1      ARG  17 -12.974 -18.207   5.715
  107   HH21  ARG  17          1HH2      ARG  17 -10.280 -17.845   3.542
  108   HH22  ARG  17          2HH2      ARG  17 -11.569 -18.872   4.109
  109    H    LEU  18           H        LEU  18  -9.324  -9.655   5.161
  110    HA   LEU  18           HA       LEU  18  -9.928  -7.914   7.407
  111    HB3  LEU  18           1HB      LEU  18  -7.820  -7.892   6.025
  112    HG   LEU  18           HG       LEU  18  -8.934  -7.365   3.730
  113   HD11  LEU  18          1HD1      LEU  18  -9.005  -4.883   3.247
  114   HD12  LEU  18          2HD1      LEU  18  -9.021  -4.604   5.006
  115   HD13  LEU  18          3HD1      LEU  18 -10.356  -5.468   4.194
  116   HD21  LEU  18          3HD2      LEU  18  -6.503  -7.345   4.172
  117   HD22  LEU  18          1HD2      LEU  18  -6.620  -5.680   4.775
  118   HD23  LEU  18          2HD2      LEU  18  -6.953  -6.043   3.073
  119    H    ALA  19           H        ALA  19 -10.967  -5.764   7.247
  120    HA   ALA  19           HA       ALA  19 -13.164  -5.603   5.230
  121    HB1  ALA  19           3HB      ALA  19 -14.021  -6.841   7.191
  122    HB2  ALA  19           1HB      ALA  19 -13.559  -5.486   8.250
  123    HB3  ALA  19           2HB      ALA  19 -14.820  -5.268   7.022
  124    H    GLY  20           H        GLY  20 -11.270  -3.814   7.674
  125    HA2  GLY  20           1HA      GLY  20 -12.531  -1.278   6.997
  126    HA3  GLY  20           2HA      GLY  20 -11.092  -1.506   8.020
  127    HA   PRO  21           HA       PRO  21 -10.022   0.234   3.714
  128    HB3  PRO  21           1HB      PRO  21 -10.895   2.320   3.978
  129    HG3  PRO  21           1HG      PRO  21 -11.236   3.265   6.144
  130    HD3  PRO  21           1HD      PRO  21 -12.291   1.143   6.194
  131    H    THR  22           H        THR  22  -8.225  -0.905   3.383
  132    HA   THR  22           HA       THR  22  -5.782  -0.415   5.079
  133    HB   THR  22           HB       THR  22  -6.691  -3.089   3.932
  134    HG1  THR  22           HG1      THR  22  -7.912  -2.410   5.717
  135   HG21  THR  22          3HG2      THR  22  -4.833  -3.970   5.350
  136   HG22  THR  22          1HG2      THR  22  -4.344  -2.303   5.724
  137   HG23  THR  22          2HG2      THR  22  -4.241  -2.923   4.061
  138    H    LEU  23           H        LEU  23  -4.231   0.473   3.903
  139    HA   LEU  23           HA       LEU  23  -4.127   0.044   0.981
  140    HB3  LEU  23           1HB      LEU  23  -2.413   1.723   2.848
  141    HG   LEU  23           HG       LEU  23  -1.186   1.347   0.777
  142   HD11  LEU  23          1HD1      LEU  23  -2.428   2.280  -1.390
  143   HD12  LEU  23          2HD1      LEU  23  -3.866   1.829  -0.463
  144   HD13  LEU  23          3HD1      LEU  23  -2.622   0.618  -0.838
  145   HD21  LEU  23          3HD2      LEU  23  -2.523   4.057   0.738
  146   HD22  LEU  23          1HD2      LEU  23  -0.979   3.626  -0.046
  147   HD23  LEU  23          2HD2      LEU  23  -1.112   3.580   1.716
  148    H    VAL  24           H        VAL  24  -2.886  -1.525   0.100
  149    HA   VAL  24           HA       VAL  24  -0.750  -2.804   1.768
  150    HB   VAL  24           HB       VAL  24  -2.153  -3.929  -0.702
  151   HG11  VAL  24          1HG1      VAL  24  -1.103  -6.074   0.019
  152   HG12  VAL  24          2HG1      VAL  24   0.127  -4.855  -0.331
  153   HG13  VAL  24          3HG1      VAL  24  -0.288  -5.222   1.349
  154   HG21  VAL  24          3HG2      VAL  24  -3.797  -3.819   1.110
  155   HG22  VAL  24          1HG2      VAL  24  -3.269  -5.494   0.881
  156   HG23  VAL  24          2HG2      VAL  24  -2.646  -4.542   2.256
  157    H    GLU  25           H        GLU  25   1.200  -2.190   1.352
  158    HA   GLU  25           HA       GLU  25   1.939  -0.944  -1.251
  159    HB3  GLU  25           1HB      GLU  25   3.046  -0.650   1.558
  160    HG3  GLU  25           1HG      GLU  25   3.634   1.023  -0.921
  161    H    PHE  26           H        PHE  26   3.413  -1.821  -2.504
  162    HA   PHE  26           HA       PHE  26   4.984  -4.163  -1.560
  163    HB3  PHE  26           1HB      PHE  26   5.067  -4.804  -3.903
  164    HD1  PHE  26           HD2      PHE  26   3.804  -6.521  -2.511
  165    HD2  PHE  26           HD1      PHE  26   1.854  -3.114  -4.289
  166    HE1  PHE  26           HE2      PHE  26   1.571  -7.541  -2.053
  167    HE2  PHE  26           HE1      PHE  26  -0.359  -4.169  -3.851
  168    HZ   PHE  26           HZ       PHE  26  -0.498  -6.323  -2.686
  169    H    GLY  27           H        GLY  27   7.143  -4.046  -1.498
  170    HA2  GLY  27           1HA      GLY  27   8.973  -2.714  -3.052
  171    HA3  GLY  27           2HA      GLY  27   8.480  -1.492  -1.893
  172    H    THR  28           H        THR  28  10.567  -1.451  -0.933
  173    HA   THR  28           HA       THR  28  10.954  -3.415   1.222
  174    HB   THR  28           HB       THR  28  13.365  -3.600   0.858
  175    HG1  THR  28           HG1      THR  28  14.167  -2.901  -1.201
  176   HG21  THR  28          3HG2      THR  28  13.420  -5.125  -1.023
  177   HG22  THR  28          1HG2      THR  28  11.893  -4.473  -1.649
  178   HG23  THR  28          2HG2      THR  28  11.925  -5.346  -0.107
  179    H    ASP  29           H        ASP  29  12.928  -2.522   2.609
  180    HA   ASP  29           HA       ASP  29  12.186   0.217   3.378
  181    HB3  ASP  29           1HB      ASP  29  14.214  -1.753   4.515
  182    H    TRP  30           H        TRP  30  14.321  -1.115   1.147
  183    HA   TRP  30           HA       TRP  30  16.425   0.973   1.540
  184    HB3  TRP  30           1HB      TRP  30  17.211  -1.055   2.435
  185    HD1  TRP  30           HD       TRP  30  15.898  -3.229   2.849
  186    HE1  TRP  30           HE1      TRP  30  15.515  -5.395   1.532
  187    HE3  TRP  30           HE3      TRP  30  17.594  -1.691  -1.737
  188    HZ2  TRP  30           HZ2      TRP  30  15.770  -6.297  -1.193
  189    HZ3  TRP  30           HZ3      TRP  30  17.499  -3.209  -3.671
  190    HH2  TRP  30           HH       TRP  30  16.585  -5.523  -3.426
  191    H    CYS  31           H        CYS  31  14.266  -0.273  -0.922
  192    HA   CYS  31           HA       CYS  31  15.991   0.311  -3.162
  193    HB2  CYS  31           1HB      CYS  31  14.029  -1.144  -3.390
  194    HB3  CYS  31           2HB      CYS  31  12.969   0.210  -2.983
  195    H    GLY  32           H        GLY  32  16.135   2.113  -4.432
  196    HA2  GLY  32           1HA      GLY  32  15.863   4.741  -3.262
  197    HA3  GLY  32           2HA      GLY  32  16.309   4.374  -4.934
  198    H    HIS  33           H        HIS  33  13.652   2.803  -5.272
  199    HA   HIS  33           HA       HIS  33  11.849   5.000  -5.917
  200    HB2  HIS  33           1HB      HIS  33  11.226   2.051  -5.403
  201    HB3  HIS  33           2HB      HIS  33  10.187   3.248  -6.160
  202    HD1  HIS  33           HD1      HIS  33  12.529   0.590  -7.054
  203    HD2  HIS  33           HD2      HIS  33  11.170   4.214  -8.660
  204    HE1  HIS  33           HE1      HIS  33  12.680   0.339  -9.598
  205    H    CYS  34           H        CYS  34  12.043   2.612  -3.248
  206    HA   CYS  34           HA       CYS  34   9.795   3.587  -1.767
  207    HB3  CYS  34           1HB      CYS  34  11.187   2.401   0.147
  208    HG   CYS  34           HG       CYS  34  10.100   0.248  -0.253
  209    H    GLN  35           H        GLN  35  13.233   4.590  -1.685
  210    HA   GLN  35           HA       GLN  35  12.914   6.093   0.730
  211    HB3  GLN  35           1HB      GLN  35  14.984   7.232   0.159
  212    HG3  GLN  35           1HG      GLN  35  16.508   5.492  -0.102
  213   HE21  GLN  35          2HE2      GLN  35  14.399   2.853  -0.031
  214   HE22  GLN  35          1HE2      GLN  35  14.387   2.680   1.735
  215    H    ALA  36           H        ALA  36  11.964   6.794  -2.500
  216    HA   ALA  36           HA       ALA  36  11.377   9.660  -1.993
  217    HB1  ALA  36           3HB      ALA  36  12.339   8.953  -4.178
  218    HB2  ALA  36           1HB      ALA  36  10.942   7.885  -4.449
  219    HB3  ALA  36           2HB      ALA  36  10.713   9.644  -4.374
  220    H    ALA  37           H        ALA  37   9.596   6.558  -2.434
  221    HA   ALA  37           HA       ALA  37   7.008   7.928  -2.334
  222    HB1  ALA  37           3HB      ALA  37   7.676   4.954  -2.347
  223    HB2  ALA  37           1HB      ALA  37   6.081   5.697  -2.629
  224    HB3  ALA  37           2HB      ALA  37   7.409   5.975  -3.773
  225    H    GLN  38           H        GLN  38   9.027   6.226   0.025
  226    HA   GLN  38           HA       GLN  38   7.004   5.743   1.990
  227    HB3  GLN  38           1HB      GLN  38   9.063   5.906   3.587
  228    HG3  GLN  38           1HG      GLN  38  10.089   3.776   2.647
  229   HE21  GLN  38          2HE2      GLN  38   6.716   3.265   1.660
  230   HE22  GLN  38          1HE2      GLN  38   6.241   2.511   3.117
  231    HA   PRO  39           HA       PRO  39   7.832  10.001   4.001
  232    HB3  PRO  39           1HB      PRO  39   9.947  10.852   3.635
  233    HG3  PRO  39           1HG      PRO  39  11.050  10.561   1.545
  234    HD3  PRO  39           1HD      PRO  39  10.447   8.406   2.336
  235    H    LEU  40           H        LEU  40   6.985   9.433   0.652
  236    HA   LEU  40           HA       LEU  40   5.175  11.687   0.345
  237    HB3  LEU  40           1HB      LEU  40   4.558   9.163  -1.131
  238    HG   LEU  40           HG       LEU  40   4.485  10.348  -3.046
  239   HD11  LEU  40          1HD1      LEU  40   2.787  11.119  -1.224
  240   HD12  LEU  40          2HD1      LEU  40   2.966  12.046  -2.706
  241   HD13  LEU  40          3HD1      LEU  40   3.727  12.627  -1.202
  242   HD21  LEU  40          3HD2      LEU  40   6.679  11.356  -3.018
  243   HD22  LEU  40          1HD2      LEU  40   6.182  12.534  -1.780
  244   HD23  LEU  40          2HD2      LEU  40   5.470  12.593  -3.419
  245    H    LEU  41           H        LEU  41   4.724   8.185   0.970
  246    HA   LEU  41           HA       LEU  41   1.959   8.298   1.599
  247    HB3  LEU  41           1HB      LEU  41   2.667   6.158   3.034
  248    HG   LEU  41           HG       LEU  41   2.463   4.680   1.261
  249   HD11  LEU  41          1HD1      LEU  41   0.541   5.382   0.018
  250   HD12  LEU  41          2HD1      LEU  41   0.881   7.093   0.299
  251   HD13  LEU  41          3HD1      LEU  41   0.436   6.044   1.651
  252   HD21  LEU  41          3HD2      LEU  41   3.445   6.862  -0.579
  253   HD22  LEU  41          1HD2      LEU  41   2.754   5.316  -1.131
  254   HD23  LEU  41          2HD2      LEU  41   4.237   5.347  -0.173
  255    H    ALA  42           H        ALA  42   4.820   8.615   3.687
  256    HA   ALA  42           HA       ALA  42   3.501   8.814   6.187
  257    HB1  ALA  42           3HB      ALA  42   5.972   8.613   5.828
  258    HB2  ALA  42           1HB      ALA  42   6.002  10.293   5.255
  259    HB3  ALA  42           2HB      ALA  42   5.551   9.940   6.934
  260    H    GLU  43           H        GLU  43   4.015  11.373   3.723
  261    HA   GLU  43           HA       GLU  43   2.994  13.522   5.408
  262    HB3  GLU  43           1HB      GLU  43   2.800  14.697   3.111
  263    HG3  GLU  43           1HG      GLU  43   5.372  14.659   2.809
  264    H    VAL  44           H        VAL  44   1.534  11.551   2.747
  265    HA   VAL  44           HA       VAL  44  -1.020  12.851   2.969
  266    HB   VAL  44           HB       VAL  44  -0.589  11.878   0.934
  267   HG11  VAL  44          1HG1      VAL  44  -0.349   9.106   2.115
  268   HG12  VAL  44          2HG1      VAL  44  -0.266   9.616   0.408
  269   HG13  VAL  44          3HG1      VAL  44   0.971  10.133   1.511
  270   HG21  VAL  44          3HG2      VAL  44  -2.593   9.989   2.235
  271   HG22  VAL  44          1HG2      VAL  44  -2.963  11.648   1.747
  272   HG23  VAL  44          2HG2      VAL  44  -2.507  10.454   0.517
  273    H    PHE  45           H        PHE  45   0.108   9.707   4.314
  274    HA   PHE  45           HA       PHE  45  -2.293   8.898   5.565
  275    HB3  PHE  45           1HB      PHE  45  -0.422   7.892   7.290
  276    HD1  PHE  45           HD1      PHE  45  -2.624   6.579   6.958
  277    HD2  PHE  45           HD2      PHE  45   0.699   6.450   4.199
  278    HE1  PHE  45           HE1      PHE  45  -3.302   4.332   6.171
  279    HE2  PHE  45           HE2      PHE  45   0.044   4.198   3.508
  280    HZ   PHE  45           HZ       PHE  45  -1.999   3.142   4.462
  281    H    SER  46           H        SER  46  -0.031  11.375   6.658
  282    HA   SER  46           HA       SER  46  -0.790  11.416   9.422
  283    HB3  SER  46           1HB      SER  46   0.033  13.785   9.342
  284    HG   SER  46           HG       SER  46   1.828  12.009   8.001
  285    H    ASP  47           H        ASP  47  -2.645  12.446   6.624
  286    HA   ASP  47           HA       ASP  47  -4.542  13.932   8.388
  287    HB3  ASP  47           1HB      ASP  47  -4.649  13.662   5.373
  288    H    TYR  48           H        TYR  48  -4.054  10.813   7.177
  289    HA   TYR  48           HA       TYR  48  -6.920  10.047   7.569
  290    HB3  TYR  48           1HB      TYR  48  -6.845   8.584   5.676
  291    HD1  TYR  48           HD2      TYR  48  -8.432  10.613   5.340
  292    HD2  TYR  48           HD1      TYR  48  -4.336  10.550   4.033
  293    HE1  TYR  48           HE2      TYR  48  -8.900  12.499   3.790
  294    HE2  TYR  48           HE1      TYR  48  -4.748  12.558   2.620
  295    HH   TYR  48           HH       TYR  48  -6.290  14.064   1.866
  296    HA   PRO  49           HA       PRO  49  -3.679   7.407   9.908
  297    HB3  PRO  49           1HB      PRO  49  -3.228   8.891  11.584
  298    HG3  PRO  49           1HG      PRO  49  -4.826  10.550  12.250
  299    HD3  PRO  49           1HD      PRO  49  -4.462  10.765   9.914
  300    H    GLU  50           H        GLU  50  -7.206   7.709  10.056
  301    HA   GLU  50           HA       GLU  50  -7.732   5.191  11.302
  302    HB3  GLU  50           1HB      GLU  50  -9.379   7.013  11.122
  303    HG3  GLU  50           1HG      GLU  50  -9.652   6.230   8.177
  304    H    VAL  51           H        VAL  51  -6.381   5.798   8.211
  305    HA   VAL  51           HA       VAL  51  -7.315   3.248   7.014
  306    HB   VAL  51           HB       VAL  51  -5.338   5.312   5.948
  307   HG11  VAL  51          1HG1      VAL  51  -4.938   3.101   4.938
  308   HG12  VAL  51          2HG1      VAL  51  -6.665   2.966   4.515
  309   HG13  VAL  51          3HG1      VAL  51  -5.644   4.208   3.762
  310   HG21  VAL  51          3HG2      VAL  51  -7.183   5.955   4.391
  311   HG22  VAL  51          1HG2      VAL  51  -8.267   4.852   5.258
  312   HG23  VAL  51          2HG2      VAL  51  -7.603   6.277   6.080
  313    H    GLY  52           H        GLY  52  -6.021   1.405   6.948
  314    HA2  GLY  52           1HA      GLY  52  -3.597   1.301   8.671
  315    HA3  GLY  52           2HA      GLY  52  -4.479  -0.072   7.951
  316    H    HIS  53           H        HIS  53  -1.583   0.355   7.930
  317    HA   HIS  53           HA       HIS  53  -1.236   0.322   4.963
  318    HB2  HIS  53           1HB      HIS  53  -0.306   2.392   6.281
  319    HB3  HIS  53           2HB      HIS  53   0.960   1.283   6.786
  320    HD1  HIS  53           HD1      HIS  53   2.705   2.841   5.309
  321    HD2  HIS  53           HD2      HIS  53  -0.380   0.964   3.162
  322    HE1  HIS  53           HE1      HIS  53   3.252   3.077   2.803
  323    H    LEU  54           H        LEU  54  -0.742  -1.713   4.354
  324    HA   LEU  54           HA       LEU  54   0.957  -3.445   6.098
  325    HB3  LEU  54           1HB      LEU  54  -0.884  -4.011   3.752
  326    HG   LEU  54           HG       LEU  54   0.971  -5.607   3.571
  327   HD11  LEU  54          1HD1      LEU  54   0.368  -6.330   6.466
  328   HD12  LEU  54          2HD1      LEU  54   1.873  -5.603   5.842
  329   HD13  LEU  54          3HD1      LEU  54   1.429  -7.254   5.385
  330   HD21  LEU  54          3HD2      LEU  54  -0.354  -7.644   3.699
  331   HD22  LEU  54          1HD2      LEU  54  -1.376  -6.318   3.142
  332   HD23  LEU  54          2HD2      LEU  54  -1.498  -6.875   4.830
  333    H    LYS  55           H        LYS  55   3.080  -3.244   5.725
  334    HA   LYS  55           HA       LYS  55   4.102  -2.437   3.040
  335    HB3  LYS  55           1HB      LYS  55   6.247  -2.359   4.209
  336    HG3  LYS  55           1HG      LYS  55   4.874  -0.317   4.105
  337    HD3  LYS  55           1HD      LYS  55   3.114  -0.638   5.710
  338    HE3  LYS  55           1HE      LYS  55   5.289  -0.784   7.868
  339    HZ1  LYS  55           3HZ      LYS  55   2.332  -1.024   8.049
  340    HZ2  LYS  55           1HZ      LYS  55   3.238   0.209   8.648
  341    HZ3  LYS  55           2HZ      LYS  55   3.386  -1.300   9.281
  342    H    VAL  56           H        VAL  56   4.095  -4.143   1.715
  343    HA   VAL  56           HA       VAL  56   4.966  -6.852   2.605
  344    HB   VAL  56           HB       VAL  56   3.992  -5.922  -0.137
  345   HG11  VAL  56          1HG1      VAL  56   3.575  -8.289  -0.583
  346   HG12  VAL  56          2HG1      VAL  56   5.269  -8.068  -0.159
  347   HG13  VAL  56          3HG1      VAL  56   4.142  -8.731   1.047
  348   HG21  VAL  56          3HG2      VAL  56   2.345  -7.196   2.087
  349   HG22  VAL  56          1HG2      VAL  56   2.204  -5.529   1.490
  350   HG23  VAL  56          2HG2      VAL  56   1.806  -6.863   0.422
  351    H    GLU  57           H        GLU  57   6.946  -7.347   2.647
  352    HA   GLU  57           HA       GLU  57   8.940  -5.900   1.146
  353    HB3  GLU  57           1HB      GLU  57   9.452  -8.453   2.674
  354    HG3  GLU  57           1HG      GLU  57  10.923  -5.826   2.340
  355    H    ASP  58           H        ASP  58   9.200  -6.208  -0.969
  356    HA   ASP  58           HA       ASP  58   8.611  -8.803  -2.254
  357    HB3  ASP  58           1HB      ASP  58   9.479  -6.170  -3.494
  358    H    GLY  59           H        GLY  59  10.082 -10.209  -3.000
  359    HA2  GLY  59           1HA      GLY  59  12.922  -9.613  -3.367
  360    HA3  GLY  59           2HA      GLY  59  12.569 -10.498  -1.903
  361    HA   PRO  60           HA       PRO  60  13.212 -13.687  -5.167
  362    HB3  PRO  60           1HB      PRO  60  15.044 -14.468  -4.023
  363    HG3  PRO  60           1HG      PRO  60  15.200 -14.321  -1.642
  364    HD3  PRO  60           1HD      PRO  60  14.699 -12.114  -2.371
  365    H    GLY  61           H        GLY  61  11.269 -14.021  -2.184
  366    HA2  GLY  61           1HA      GLY  61   9.254 -15.718  -3.603
  367    HA3  GLY  61           2HA      GLY  61   9.305 -15.346  -1.861
  368    H    ARG  62           H        ARG  62   8.014 -14.403  -4.881
  369    HA   ARG  62           HA       ARG  62   7.247 -11.681  -4.040
  370    HB3  ARG  62           1HB      ARG  62   6.146 -11.584  -6.264
  371    HG3  ARG  62           1HG      ARG  62   8.606 -10.947  -5.823
  372    HD3  ARG  62           1HD      ARG  62   9.621 -13.256  -6.055
  373    HE   ARG  62           HE       ARG  62   8.819 -14.417  -7.885
  374   HH11  ARG  62          1HH1      ARG  62   9.863 -11.229  -9.054
  375   HH12  ARG  62          2HH1      ARG  62   9.742 -11.712 -10.715
  376   HH21  ARG  62          1HH2      ARG  62   8.686 -14.957 -10.041
  377   HH22  ARG  62          2HH2      ARG  62   9.105 -13.792 -11.265
  378    H    ARG  63           H        ARG  63   6.248 -12.889  -2.139
  379    HA   ARG  63           HA       ARG  63   4.271 -14.795  -2.386
  380    HB3  ARG  63           1HB      ARG  63   5.652 -14.409  -0.409
  381    HG3  ARG  63           1HG      ARG  63   3.727 -12.164   0.367
  382    HD3  ARG  63           1HD      ARG  63   5.395 -11.750   2.146
  383    HE   ARG  63           HE       ARG  63   3.617 -13.140   2.938
  384   HH11  ARG  63          1HH1      ARG  63   6.438 -15.109   2.063
  385   HH12  ARG  63          2HH1      ARG  63   5.899 -16.431   3.053
  386   HH21  ARG  63          1HH2      ARG  63   3.053 -14.772   4.188
  387   HH22  ARG  63          2HH2      ARG  63   3.963 -16.264   4.231
  388    H    LEU  64           H        LEU  64   3.639 -11.365  -2.571
  389    HA   LEU  64           HA       LEU  64   0.701 -11.915  -2.714
  390    HB3  LEU  64           1HB      LEU  64   1.962  -9.698  -1.069
  391    HG   LEU  64           HG       LEU  64  -0.325  -9.125  -1.729
  392   HD11  LEU  64          1HD1      LEU  64  -1.054 -11.860  -0.582
  393   HD12  LEU  64          2HD1      LEU  64  -1.327 -11.276  -2.242
  394   HD13  LEU  64          3HD1      LEU  64  -2.228 -10.576  -0.900
  395   HD21  LEU  64          3HD2      LEU  64  -1.265  -8.810   0.516
  396   HD22  LEU  64          1HD2      LEU  64   0.488  -8.601   0.582
  397   HD23  LEU  64          2HD2      LEU  64  -0.235 -10.109   1.161
  398    H    GLY  65           H        GLY  65   3.304  -9.559  -3.590
  399    HA2  GLY  65           1HA      GLY  65   1.663  -7.904  -5.205
  400    HA3  GLY  65           2HA      GLY  65   3.418  -8.096  -5.377
  401    H    ARG  66           H        ARG  66   3.062 -11.025  -5.980
  402    HA   ARG  66           HA       ARG  66   2.557 -11.133  -8.800
  403    HB3  ARG  66           1HB      ARG  66   2.536 -13.245  -6.610
  404    HG3  ARG  66           1HG      ARG  66   2.704 -13.625  -9.635
  405    HD3  ARG  66           1HD      ARG  66   2.998 -15.547  -7.278
  406    HE   ARG  66           HE       ARG  66   1.900 -16.998  -8.686
  407   HH11  ARG  66          1HH1      ARG  66   4.152 -15.199 -10.741
  408   HH12  ARG  66          2HH1      ARG  66   3.872 -16.239 -12.104
  409   HH21  ARG  66          1HH2      ARG  66   1.551 -18.263 -10.497
  410   HH22  ARG  66          2HH2      ARG  66   2.420 -17.938 -11.968
  411    H    SER  67           H        SER  67   0.455 -11.888  -5.958
  412    HA   SER  67           HA       SER  67  -1.807 -12.771  -7.516
  413    HB3  SER  67           1HB      SER  67  -2.963 -12.796  -5.406
  414    HG   SER  67           HG       SER  67  -1.500 -14.066  -4.195
  415    H    PHE  68           H        PHE  68  -0.716  -9.611  -6.372
  416    HA   PHE  68           HA       PHE  68  -3.196  -8.276  -7.126
  417    HB3  PHE  68           1HB      PHE  68  -1.606  -6.221  -6.680
  418    HD1  PHE  68           HD2      PHE  68  -3.905  -5.858  -5.876
  419    HD2  PHE  68           HD1      PHE  68  -1.164  -8.466  -3.828
  420    HE1  PHE  68           HE2      PHE  68  -5.359  -5.801  -3.857
  421    HE2  PHE  68           HE1      PHE  68  -2.563  -8.349  -1.776
  422    HZ   PHE  68           HZ       PHE  68  -4.676  -7.018  -1.806
  423    H    GLN  69           H        GLN  69  -0.564  -9.422  -8.910
  424    HA   GLN  69           HA       GLN  69   0.310  -9.027 -10.980
  425    HB3  GLN  69           1HB      GLN  69  -1.136  -8.369 -12.769
  426    HG3  GLN  69           1HG      GLN  69  -1.899 -10.501 -11.049
  427   HE21  GLN  69          2HE2      GLN  69  -3.483  -9.932  -9.354
  428   HE22  GLN  69          1HE2      GLN  69  -5.114  -9.497  -9.791
  429    H    VAL  70           H        VAL  70   1.252  -7.332  -9.088
  430    HA   VAL  70           HA       VAL  70   0.841  -4.572  -9.328
  431    HB   VAL  70           HB       VAL  70   3.185  -6.236  -8.408
  432   HG11  VAL  70          1HG1      VAL  70   3.059  -3.196  -8.405
  433   HG12  VAL  70          2HG1      VAL  70   4.155  -4.127  -7.376
  434   HG13  VAL  70          3HG1      VAL  70   4.320  -4.214  -9.140
  435   HG21  VAL  70          3HG2      VAL  70   2.493  -5.455  -6.205
  436   HG22  VAL  70          1HG2      VAL  70   1.276  -4.381  -6.923
  437   HG23  VAL  70          2HG2      VAL  70   1.095  -6.134  -7.047
  438    H    LYS  71           H        LYS  71   1.308  -3.038 -10.705
  439    HA   LYS  71           HA       LYS  71   2.304  -3.589 -13.357
  440    HB3  LYS  71           1HB      LYS  71   1.871  -1.145 -13.683
  441    HG3  LYS  71           1HG      LYS  71  -0.463  -0.990 -13.188
  442    HD3  LYS  71           1HD      LYS  71   0.435  -2.543 -15.097
  443    HE3  LYS  71           1HE      LYS  71  -1.097  -4.514 -13.319
  444    HZ1  LYS  71           3HZ      LYS  71  -0.567  -6.084 -15.071
  445    HZ2  LYS  71           1HZ      LYS  71   0.175  -4.933 -15.965
  446    HZ3  LYS  71           2HZ      LYS  71  -1.431  -4.848 -15.702
  447    H    LEU  72           H        LEU  72   3.441  -0.611 -11.963
  448    HA   LEU  72           HA       LEU  72   6.273  -1.309 -12.413
  449    HB3  LEU  72           1HB      LEU  72   5.226   1.184 -11.039
  450    HG   LEU  72           HG       LEU  72   7.775   0.710 -11.322
  451   HD11  LEU  72          1HD1      LEU  72   8.723   1.230 -13.548
  452   HD12  LEU  72          2HD1      LEU  72   7.089   1.311 -14.231
  453   HD13  LEU  72          3HD1      LEU  72   7.725  -0.225 -13.612
  454   HD21  LEU  72          3HD2      LEU  72   6.891   2.948 -10.828
  455   HD22  LEU  72          1HD2      LEU  72   6.532   3.205 -12.561
  456   HD23  LEU  72          2HD2      LEU  72   8.216   3.067 -12.000
  457    H    TRP  73           H        TRP  73   7.773  -1.356 -10.627
  458    HA   TRP  73           HA       TRP  73   6.875  -3.088  -8.587
  459    HB3  TRP  73           1HB      TRP  73   9.368  -1.452  -8.654
  460    HD1  TRP  73           HD       TRP  73   8.918  -5.243  -8.262
  461    HE1  TRP  73           HE1      TRP  73  10.005  -5.979  -6.062
  462    HE3  TRP  73           HE3      TRP  73  10.005  -0.623  -6.360
  463    HZ2  TRP  73           HZ2      TRP  73  11.427  -4.714  -3.870
  464    HZ3  TRP  73           HZ3      TRP  73  11.181  -0.419  -4.191
  465    HH2  TRP  73           HH       TRP  73  11.970  -2.435  -2.982
  466    HA   PRO  74           HA       PRO  74   6.818   0.332  -5.344
  467    HB3  PRO  74           1HB      PRO  74   8.453   1.920  -5.703
  468    HG3  PRO  74           1HG      PRO  74   8.791   2.868  -7.896
  469    HD3  PRO  74           1HD      PRO  74   8.972   0.585  -8.297
  470    H    THR  75           H        THR  75   4.704  -0.395  -5.332
  471    HA   THR  75           HA       THR  75   2.542   1.386  -6.356
  472    HB   THR  75           HB       THR  75   2.943  -1.576  -6.915
  473    HG1  THR  75           HG1      THR  75   3.584  -0.616  -8.677
  474   HG21  THR  75          3HG2      THR  75   0.591  -1.451  -6.292
  475   HG22  THR  75          1HG2      THR  75   0.702  -1.527  -8.048
  476   HG23  THR  75          2HG2      THR  75   0.376   0.034  -7.260
  477    H    PHE  76           H        PHE  76   0.726   1.374  -5.178
  478    HA   PHE  76           HA       PHE  76   0.496  -0.531  -2.947
  479    HB3  PHE  76           1HB      PHE  76   1.304   1.136  -1.582
  480    HD1  PHE  76           HD2      PHE  76   2.989   2.282  -2.983
  481    HD2  PHE  76           HD1      PHE  76  -1.074   3.671  -2.531
  482    HE1  PHE  76           HE2      PHE  76   3.649   4.485  -3.904
  483    HE2  PHE  76           HE1      PHE  76  -0.383   5.890  -3.356
  484    HZ   PHE  76           HZ       PHE  76   1.943   6.262  -4.141
  485    H    VAL  77           H        VAL  77  -1.409  -1.337  -2.686
  486    HA   VAL  77           HA       VAL  77  -3.633  -0.490  -4.489
  487    HB   VAL  77           HB       VAL  77  -3.068  -3.224  -3.323
  488   HG11  VAL  77          1HG1      VAL  77  -5.081  -2.278  -5.414
  489   HG12  VAL  77          2HG1      VAL  77  -4.787  -3.952  -5.016
  490   HG13  VAL  77          3HG1      VAL  77  -5.483  -2.845  -3.809
  491   HG21  VAL  77          3HG2      VAL  77  -2.643  -2.211  -6.170
  492   HG22  VAL  77          1HG2      VAL  77  -1.351  -2.576  -5.040
  493   HG23  VAL  77          2HG2      VAL  77  -2.405  -3.874  -5.611
  494    H    PHE  78           H        PHE  78  -5.438   0.264  -3.596
  495    HA   PHE  78           HA       PHE  78  -5.688   0.359  -0.632
  496    HB3  PHE  78           1HB      PHE  78  -7.588   1.886  -1.122
  497    HD1  PHE  78           HD2      PHE  78  -4.935   2.403  -3.738
  498    HD2  PHE  78           HD1      PHE  78  -6.439   3.605   0.128
  499    HE1  PHE  78           HE2      PHE  78  -3.228   4.169  -3.618
  500    HE2  PHE  78           HE1      PHE  78  -4.761   5.454   0.164
  501    HZ   PHE  78           HZ       PHE  78  -3.178   5.725  -1.737
  502    H    LEU  79           H        LEU  79  -6.806  -1.169   0.401
  503    HA   LEU  79           HA       LEU  79  -8.961  -2.670  -1.021
  504    HB3  LEU  79           1HB      LEU  79  -8.631  -4.287   0.968
  505    HG   LEU  79           HG       LEU  79  -8.023  -4.896  -1.317
  506   HD11  LEU  79          1HD1      LEU  79  -5.366  -3.627  -0.610
  507   HD12  LEU  79          2HD1      LEU  79  -6.463  -3.264  -1.968
  508   HD13  LEU  79          3HD1      LEU  79  -5.577  -4.790  -1.932
  509   HD21  LEU  79          3HD2      LEU  79  -6.010  -5.823   0.757
  510   HD22  LEU  79          1HD2      LEU  79  -6.561  -6.714  -0.677
  511   HD23  LEU  79          2HD2      LEU  79  -7.680  -6.405   0.652
  512    H    ARG  80           H        ARG  80 -10.758  -3.206   0.062
  513    HA   ARG  80           HA       ARG  80 -11.471  -2.363   2.730
  514    HB3  ARG  80           1HB      ARG  80 -13.184  -1.101   0.569
  515    HG3  ARG  80           1HG      ARG  80 -12.604  -0.346   3.466
  516    HD3  ARG  80           1HD      ARG  80 -13.173   1.553   1.891
  517    HE   ARG  80           HE       ARG  80 -14.860   1.066   0.406
  518   HH11  ARG  80          1HH1      ARG  80 -16.024   0.014   3.581
  519   HH12  ARG  80          2HH1      ARG  80 -17.630  -0.305   2.988
  520   HH21  ARG  80          1HH2      ARG  80 -16.943   0.653  -0.283
  521   HH22  ARG  80          2HH2      ARG  80 -18.139   0.059   0.825
  522    H    ASP  81           H        ASP  81 -13.158  -3.567   3.469
  523    HA   ASP  81           HA       ASP  81 -14.605  -5.329   3.620
  524    HB3  ASP  81           1HB      ASP  81 -15.418  -4.791   0.742
  525    H    GLY  82           H        GLY  82 -11.859  -5.819   2.563
  526    HA2  GLY  82           1HA      GLY  82 -10.633  -7.762   2.178
  527    HA3  GLY  82           2HA      GLY  82 -12.131  -8.636   1.803
  528    H    ARG  83           H        ARG  83 -12.286  -5.958  -0.158
  529    HA   ARG  83           HA       ARG  83 -11.017  -7.334  -2.460
  530    HB3  ARG  83           1HB      ARG  83 -13.200  -5.256  -2.674
  531    HG3  ARG  83           1HG      ARG  83 -12.973  -7.888  -4.152
  532    HD3  ARG  83           1HD      ARG  83 -14.989  -6.345  -4.432
  533    HE   ARG  83           HE       ARG  83 -12.867  -4.467  -5.134
  534   HH11  ARG  83          1HH2      ARG  83 -16.270  -5.117  -5.890
  535   HH12  ARG  83          2HH2      ARG  83 -16.537  -3.466  -6.368
  536   HH21  ARG  83          1HH1      ARG  83 -13.242  -2.484  -5.745
  537   HH22  ARG  83          2HH1      ARG  83 -14.816  -1.958  -6.307
  538    H    GLU  84           H        GLU  84 -10.082  -5.930  -4.054
  539    HA   GLU  84           HA       GLU  84  -8.792  -3.436  -3.191
  540    HB3  GLU  84           1HB      GLU  84  -9.051  -4.862  -5.856
  541    HG3  GLU  84           1HG      GLU  84  -7.575  -2.281  -5.277
  542    H    VAL  85           H        VAL  85  -9.571  -1.444  -3.251
  543    HA   VAL  85           HA       VAL  85 -12.107  -0.854  -4.747
  544    HB   VAL  85           HB       VAL  85 -12.188   1.226  -3.369
  545   HG11  VAL  85          1HG1      VAL  85 -13.559  -0.765  -2.908
  546   HG12  VAL  85          2HG1      VAL  85 -12.288  -1.394  -1.836
  547   HG13  VAL  85          3HG1      VAL  85 -13.148   0.114  -1.426
  548   HG21  VAL  85          3HG2      VAL  85  -9.757   1.214  -2.595
  549   HG22  VAL  85          1HG2      VAL  85 -10.964   1.441  -1.299
  550   HG23  VAL  85          2HG2      VAL  85 -10.185  -0.135  -1.524
  551    H    ALA  86           H        ALA  86  -8.719  -0.196  -4.645
  552    HA   ALA  86           HA       ALA  86  -8.600   1.183  -7.163
  553    HB1  ALA  86           3HB      ALA  86  -9.468   3.097  -5.878
  554    HB2  ALA  86           1HB      ALA  86  -8.253   2.796  -4.603
  555    HB3  ALA  86           2HB      ALA  86  -7.760   3.367  -6.203
  556    H    ARG  87           H        ARG  87  -6.306   2.151  -7.414
  557    HA   ARG  87           HA       ARG  87  -4.355   1.444  -5.413
  558    HB3  ARG  87           1HB      ARG  87  -4.439  -0.661  -6.593
  559    HG3  ARG  87           1HG      ARG  87  -3.505   0.903  -9.038
  560    HD3  ARG  87           1HD      ARG  87  -2.271  -1.197  -8.391
  561    HE   ARG  87           HE       ARG  87  -4.890  -2.354  -8.332
  562   HH11  ARG  87          1HH1      ARG  87  -1.675  -3.190  -9.617
  563   HH12  ARG  87          2HH1      ARG  87  -2.010  -4.902  -9.510
  564   HH21  ARG  87          1HH2      ARG  87  -5.164  -4.553  -8.141
  565   HH22  ARG  87          2HH2      ARG  87  -3.885  -5.639  -8.691
  566    H    VAL  88           H        VAL  88  -2.330   2.443  -5.732
  567    HA   VAL  88           HA       VAL  88  -2.197   4.542  -7.901
  568    HB   VAL  88           HB       VAL  88  -1.353   4.682  -5.025
  569   HG11  VAL  88          1HG1      VAL  88   0.478   5.732  -6.361
  570   HG12  VAL  88          2HG1      VAL  88  -0.713   6.671  -7.273
  571   HG13  VAL  88          3HG1      VAL  88  -0.446   7.003  -5.552
  572   HG21  VAL  88          3HG2      VAL  88  -3.133   6.628  -6.492
  573   HG22  VAL  88          1HG2      VAL  88  -3.727   5.291  -5.499
  574   HG23  VAL  88          2HG2      VAL  88  -2.763   6.567  -4.744
  575    H    VAL  89           H        VAL  89  -0.562   4.262  -9.200
  576    HA   VAL  89           HA       VAL  89   1.796   2.549  -8.465
  577    HB   VAL  89           HB       VAL  89   0.583   3.140 -11.200
  578   HG11  VAL  89          1HG1      VAL  89   3.013   2.878 -11.404
  579   HG12  VAL  89          2HG1      VAL  89   2.942   1.350 -10.502
  580   HG13  VAL  89          3HG1      VAL  89   2.181   1.501 -12.111
  581   HG21  VAL  89          3HG2      VAL  89  -0.818   1.527  -9.961
  582   HG22  VAL  89          1HG2      VAL  89  -0.006   0.764 -11.323
  583   HG23  VAL  89          2HG2      VAL  89   0.604   0.501  -9.683
  584    H    ARG  90           H        ARG  90   3.712   3.610  -8.414
  585    HA   ARG  90           HA       ARG  90   5.285   5.227  -8.519
  586    HB3  ARG  90           1HB      ARG  90   4.135   5.898 -11.235
  587    HG3  ARG  90           1HG      ARG  90   7.015   5.750 -10.236
  588    HD3  ARG  90           1HD      ARG  90   5.821   7.005 -12.736
  589    HE   ARG  90           HE       ARG  90   8.312   7.429 -11.595
  590   HH11  ARG  90          1HH1      ARG  90   7.255   6.091 -14.703
  591   HH12  ARG  90          2HH1      ARG  90   8.757   6.477 -15.479
  592   HH21  ARG  90          1HH2      ARG  90  10.231   7.906 -12.688
  593   HH22  ARG  90          2HH2      ARG  90  10.399   7.516 -14.372
  594    HA   PRO  91           HA       PRO  91   2.375   8.668  -7.135
  595    HB3  PRO  91           1HB      PRO  91   2.545   8.159  -4.962
  596    HG3  PRO  91           1HG      PRO  91   4.390   6.889  -4.130
  597    HD3  PRO  91           1HD      PRO  91   3.710   5.658  -6.034
  598    H    GLY  92           H        GLY  92   2.593  10.554  -8.204
  599    HA2  GLY  92           1HA      GLY  92   5.237  11.610  -8.999
  600    HA3  GLY  92           2HA      GLY  92   3.631  12.190  -9.517
  601    H    SER  93           H        SER  93   2.778  12.406  -6.614
  602    HA   SER  93           HA       SER  93   4.355  14.449  -5.318
  603    HB3  SER  93           1HB      SER  93   3.415  15.723  -7.277
  604    HG   SER  93           HG       SER  93   1.038  16.091  -7.027
  605    H    ALA  94           H        ALA  94   3.234  15.249  -3.337
  606    HA   ALA  94           HA       ALA  94   1.392  13.438  -2.072
  607    HB1  ALA  94           3HB      ALA  94   1.970  16.374  -1.457
  608    HB2  ALA  94           1HB      ALA  94   1.203  15.184  -0.377
  609    HB3  ALA  94           2HB      ALA  94   2.902  14.990  -0.842
  610    H    SER  95           H        SER  95   0.793  16.317  -4.189
  611    HA   SER  95           HA       SER  95  -2.022  16.387  -3.616
  612    HB3  SER  95           1HB      SER  95  -1.052  18.283  -4.624
  613    HG   SER  95           HG       SER  95  -0.266  18.223  -6.797
  614    H    VAL  96           H        VAL  96  -0.182  14.385  -5.942
  615    HA   VAL  96           HA       VAL  96  -2.573  13.140  -7.073
  616    HB   VAL  96           HB       VAL  96   0.388  12.460  -7.153
  617   HG11  VAL  96          1HG1      VAL  96  -1.843  10.880  -8.482
  618   HG12  VAL  96          2HG1      VAL  96  -0.116  10.750  -8.887
  619   HG13  VAL  96          3HG1      VAL  96  -0.676  10.273  -7.286
  620   HG21  VAL  96          3HG2      VAL  96  -0.454  14.399  -8.512
  621   HG22  VAL  96          1HG2      VAL  96   0.181  13.075  -9.503
  622   HG23  VAL  96          2HG2      VAL  96  -1.582  13.300  -9.328
  623    H    LEU  97           H        LEU  97  -0.254  12.169  -4.470
  624    HA   LEU  97           HA       LEU  97  -1.573   9.636  -4.009
  625    HB3  LEU  97           1HB      LEU  97  -0.131  10.727  -1.696
  626    HG   LEU  97           HG       LEU  97   0.535   8.504  -3.731
  627   HD11  LEU  97          1HD1      LEU  97   1.719   8.997  -0.969
  628   HD12  LEU  97          2HD1      LEU  97   2.527   9.204  -2.549
  629   HD13  LEU  97          3HD1      LEU  97   2.018   7.602  -2.043
  630   HD21  LEU  97          3HD2      LEU  97  -0.257   7.118  -1.618
  631   HD22  LEU  97          1HD2      LEU  97  -1.463   7.813  -2.715
  632   HD23  LEU  97          2HD2      LEU  97  -1.094   8.612  -1.191
  633    H    GLU  98           H        GLU  98  -1.783  12.742  -2.216
  634    HA   GLU  98           HA       GLU  98  -3.808  12.019  -0.386
  635    HB3  GLU  98           1HB      GLU  98  -4.379  14.457  -0.382
  636    HG3  GLU  98           1HG      GLU  98  -1.386  13.913  -0.182
  637    H    GLU  99           H        GLU  99  -4.207  13.246  -3.758
  638    HA   GLU  99           HA       GLU  99  -7.020  13.476  -3.800
  639    HB3  GLU  99           1HB      GLU  99  -4.989  12.772  -5.955
  640    HG3  GLU  99           1HG      GLU  99  -7.962  13.194  -6.221
  641    H    ALA 100           H        ALA 100  -5.002  10.564  -4.227
  642    HA   ALA 100           HA       ALA 100  -7.331   8.857  -4.775
  643    HB1  ALA 100           3HB      ALA 100  -5.085   8.351  -5.650
  644    HB2  ALA 100           1HB      ALA 100  -4.462   8.166  -3.997
  645    HB3  ALA 100           2HB      ALA 100  -5.699   7.045  -4.617
  646    H    PHE 101           H        PHE 101  -5.318   9.612  -1.871
  647    HA   PHE 101           HA       PHE 101  -6.492   7.683  -0.155
  648    HB3  PHE 101           1HB      PHE 101  -5.877   9.703   1.526
  649    HD1  PHE 101           HD1      PHE 101  -3.375   8.095  -0.894
  650    HD2  PHE 101           HD2      PHE 101  -5.093   8.169   3.084
  651    HE1  PHE 101           HE1      PHE 101  -1.689   6.505  -0.100
  652    HE2  PHE 101           HE2      PHE 101  -3.393   6.550   3.831
  653    HZ   PHE 101           HZ       PHE 101  -1.642   5.752   2.211
  654    H    GLU 102           H        GLU 102  -7.423  11.128  -0.590
  655    HA   GLU 102           HA       GLU 102  -9.685  11.049   1.148
  656    HB3  GLU 102           1HB      GLU 102  -8.829  13.143   0.539
  657    HG3  GLU 102           1HG      GLU 102  -8.667  12.248  -2.151
  658    H    SER 103           H        SER 103  -9.384  10.086  -2.271
  659    HA   SER 103           HA       SER 103 -12.204   9.824  -2.740
  660    HB3  SER 103           1HB      SER 103  -9.938   8.348  -4.135
  661    HG   SER 103           HG       SER 103 -11.423   8.493  -5.905
  662    H    LEU 104           H        LEU 104  -9.781   7.630  -1.363
  663    HA   LEU 104           HA       LEU 104 -11.746   5.379  -1.305
  664    HB3  LEU 104           1HB      LEU 104  -9.783   4.093  -0.402
  665    HG   LEU 104           HG       LEU 104  -8.875   3.516  -2.399
  666   HD11  LEU 104          1HD1      LEU 104 -10.587   3.474  -4.060
  667   HD12  LEU 104          2HD1      LEU 104 -11.302   4.986  -3.492
  668   HD13  LEU 104          3HD1      LEU 104 -11.418   3.500  -2.514
  669   HD21  LEU 104          3HD2      LEU 104  -7.720   5.651  -2.876
  670   HD22  LEU 104          1HD2      LEU 104  -9.262   6.307  -3.514
  671   HD23  LEU 104          2HD2      LEU 104  -8.467   4.979  -4.323
  672    H    VAL 105           H        VAL 105 -10.279   7.652   0.914
  673    HA   VAL 105           HA       VAL 105 -11.323   6.349   3.273
  674    HB   VAL 105           HB       VAL 105  -9.452   8.260   2.917
  675   HG11  VAL 105          1HG1      VAL 105 -10.110  10.407   3.742
  676   HG12  VAL 105          2HG1      VAL 105 -11.144  10.031   2.372
  677   HG13  VAL 105          3HG1      VAL 105 -11.762   9.878   4.023
  678   HG21  VAL 105          3HG2      VAL 105  -9.817   6.854   4.893
  679   HG22  VAL 105          1HG2      VAL 105  -9.381   8.516   5.293
  680   HG23  VAL 105          2HG2      VAL 105 -11.076   7.979   5.456
  681    H    GLY 106           H        GLY 106 -12.699   8.454   0.876
  682    HA2  GLY 106           1HA      GLY 106 -14.981   8.653   0.461
  683    HA3  GLY 106           2HA      GLY 106 -15.368   8.365   2.177
  684    H    GLU 107           H        GLU 107 -12.924  10.631   2.097
  685    HA   GLU 107           HA       GLU 107 -14.696  12.855   2.756
  686    HB3  GLU 107           1HB      GLU 107 -12.386  14.028   3.020
  687    HG3  GLU 107           1HG      GLU 107 -11.812  12.792   5.098
  688    H    GLY 108           H        GLY 108 -13.613  11.733  -0.211
  689    HA2  GLY 108           1HA      GLY 108 -12.930  14.119  -1.594
  690    HA3  GLY 108           2HA      GLY 108 -13.435  12.590  -2.320
  Start of MODEL   16
    1    H1   MET   1           H        MET   1   5.886   3.755  12.706
    2    HA   MET   1           HA       MET   1   5.633   1.500  11.644
    3    HB3  MET   1           1HB      MET   1   3.169   1.264  11.963
    4    HG3  MET   1           1HG      MET   1   2.994   2.028  14.276
    5    HE1  MET   1           3HE      MET   1   4.567  -1.532  14.395
    6    HE2  MET   1           1HE      MET   1   3.085  -0.553  14.500
    7    HE3  MET   1           2HE      MET   1   3.914  -0.754  12.933
    8    H    LYS   2           H        LYS   2   5.006   4.142   9.610
    9    HA   LYS   2           HA       LYS   2   3.811   2.513   7.411
   10    HB3  LYS   2           1HB      LYS   2   3.976   4.923   6.311
   11    HG3  LYS   2           1HG      LYS   2   1.836   3.880   6.778
   12    HD3  LYS   2           1HD      LYS   2   2.110   4.972   9.617
   13    HE3  LYS   2           1HE      LYS   2  -0.249   3.683   8.142
   14    HZ1  LYS   2           3HZ      LYS   2  -0.077   4.690  10.938
   15    HZ2  LYS   2           1HZ      LYS   2  -0.182   3.113  10.525
   16    HZ3  LYS   2           2HZ      LYS   2  -1.428   4.116  10.210
   17    H    THR   3           H        THR   3   6.931   3.338   8.466
   18    HA   THR   3           HA       THR   3   8.129   3.796   5.831
   19    HB   THR   3           HB       THR   3  10.219   4.043   7.231
   20    HG1  THR   3           HG1      THR   3   9.767   4.213   9.516
   21   HG21  THR   3          3HG2      THR   3   8.748   5.986   6.691
   22   HG22  THR   3          1HG2      THR   3   9.538   6.154   8.265
   23   HG23  THR   3          2HG2      THR   3   7.829   5.694   8.182
   24    H    ARG   4           H        ARG   4   7.921   1.026   7.962
   25    HA   ARG   4           HA       ARG   4  10.107  -0.369   6.458
   26    HB3  ARG   4           1HB      ARG   4  10.426  -1.566   8.710
   27    HG3  ARG   4           1HG      ARG   4  11.085   1.359   8.200
   28    HD3  ARG   4           1HD      ARG   4  12.723   1.138  10.091
   29    HE   ARG   4           HE       ARG   4  10.130   2.039  10.195
   30   HH11  ARG   4          1HH1      ARG   4  12.257   0.614  12.623
   31   HH12  ARG   4          2HH1      ARG   4  11.430   1.390  13.946
   32   HH21  ARG   4          1HH2      ARG   4   9.099   3.004  11.918
   33   HH22  ARG   4          2HH2      ARG   4   9.685   2.758  13.537
   34    H    TYR   5           H        TYR   5  10.053  -2.606   6.282
   35    HA   TYR   5           HA       TYR   5   7.340  -3.480   5.548
   36    HB3  TYR   5           1HB      TYR   5   8.706  -5.008   4.015
   37    HD1  TYR   5           HD1      TYR   5   7.022  -3.938   2.710
   38    HD2  TYR   5           HD2      TYR   5  10.494  -1.780   3.954
   39    HE1  TYR   5           HE1      TYR   5   6.337  -2.037   1.246
   40    HE2  TYR   5           HE2      TYR   5   9.941   0.058   2.360
   41    HH   TYR   5           HH       TYR   5   6.966   0.062   0.400
   42    H    SER   6           H        SER   6   6.732  -5.727   5.409
   43    HA   SER   6           HA       SER   6   8.128  -7.536   7.317
   44    HB3  SER   6           1HB      SER   6   5.912  -8.528   7.878
   45    HG   SER   6           HG       SER   6   5.941  -5.709   8.354
   46    H    ALA   7           H        ALA   7   8.529  -9.567   6.583
   47    HA   ALA   7           HA       ALA   7   7.854 -10.268   3.776
   48    HB1  ALA   7           3HB      ALA   7   9.416 -12.171   4.255
   49    HB2  ALA   7           1HB      ALA   7  10.168 -10.591   4.583
   50    HB3  ALA   7           2HB      ALA   7   9.580 -11.602   5.924
   51    H    GLU   8           H        GLU   8   6.867 -10.952   6.991
   52    HA   GLU   8           HA       GLU   8   5.678 -13.515   6.635
   53    HB3  GLU   8           1HB      GLU   8   5.016 -13.319   8.912
   54    HG3  GLU   8           1HG      GLU   8   7.627 -13.097   8.243
   55    H    ALA   9           H        ALA   9   4.579 -11.637   4.740
   56    HA   ALA   9           HA       ALA   9   1.957 -10.712   5.443
   57    HB1  ALA   9           3HB      ALA   9   1.700 -10.468   2.955
   58    HB2  ALA   9           1HB      ALA   9   3.234  -9.794   3.560
   59    HB3  ALA   9           2HB      ALA   9   3.202 -11.375   2.735
   60    HA   PRO  10           HA       PRO  10  -0.553 -14.422   4.784
   61    HB3  PRO  10           1HB      PRO  10  -2.331 -13.085   5.548
   62    HG3  PRO  10           1HG      PRO  10  -2.632 -10.834   4.694
   63    HD3  PRO  10           1HD      PRO  10  -0.541 -10.991   5.767
   64    H    ALA  11           H        ALA  11  -1.788 -15.552   3.026
   65    HA   ALA  11           HA       ALA  11  -0.788 -15.077   0.287
   66    HB1  ALA  11           3HB      ALA  11  -2.813 -17.067   1.414
   67    HB2  ALA  11           1HB      ALA  11  -2.156 -17.066  -0.238
   68    HB3  ALA  11           2HB      ALA  11  -1.087 -17.391   1.136
   69    H    ARG  12           H        ARG  12  -2.181 -14.427  -1.442
   70    HA   ARG  12           HA       ARG  12  -3.873 -12.265  -0.758
   71    HB3  ARG  12           1HB      ARG  12  -4.041 -13.360  -3.544
   72    HG3  ARG  12           1HG      ARG  12  -2.925 -10.999  -3.903
   73    HD3  ARG  12           1HD      ARG  12  -4.990  -9.698  -3.703
   74    HE   ARG  12           HE       ARG  12  -4.825 -11.069  -5.675
   75   HH11  ARG  12          1HH1      ARG  12  -6.943 -12.538  -3.217
   76   HH12  ARG  12          2HH1      ARG  12  -7.769 -13.501  -4.400
   77   HH21  ARG  12          1HH2      ARG  12  -5.873 -12.366  -7.100
   78   HH22  ARG  12          2HH2      ARG  12  -7.161 -13.422  -6.584
   79    H    ASP  13           H        ASP  13  -4.746 -15.592  -1.064
   80    HA   ASP  13           HA       ASP  13  -7.641 -15.091  -1.350
   81    HB3  ASP  13           1HB      ASP  13  -7.775 -17.559  -1.028
   82    H    GLU  14           H        GLU  14  -5.335 -15.346   1.288
   83    HA   GLU  14           HA       GLU  14  -7.439 -15.702   3.356
   84    HB3  GLU  14           1HB      GLU  14  -5.419 -15.556   4.871
   85    HG3  GLU  14           1HG      GLU  14  -4.565 -17.798   4.271
   86    H    LEU  15           H        LEU  15  -5.320 -13.242   1.951
   87    HA   LEU  15           HA       LEU  15  -5.865 -10.984   3.588
   88    HB3  LEU  15           1HB      LEU  15  -5.539 -11.219   0.561
   89    HG   LEU  15           HG       LEU  15  -5.950  -8.868   1.678
   90   HD11  LEU  15          1HD1      LEU  15  -2.968  -9.240   2.228
   91   HD12  LEU  15          2HD1      LEU  15  -4.221  -9.199   3.507
   92   HD13  LEU  15          3HD1      LEU  15  -3.916  -7.776   2.483
   93   HD21  LEU  15          3HD2      LEU  15  -4.219  -7.911   0.119
   94   HD22  LEU  15          1HD2      LEU  15  -5.301  -9.108  -0.630
   95   HD23  LEU  15          2HD2      LEU  15  -3.644  -9.558  -0.169
   96    H    ASP  16           H        ASP  16  -7.713 -12.481   0.956
   97    HA   ASP  16           HA       ASP  16  -9.742 -10.553   0.556
   98    HB3  ASP  16           1HB      ASP  16  -9.763 -13.580   0.271
   99    H    ARG  17           H        ARG  17  -9.258 -12.644   3.280
  100    HA   ARG  17           HA       ARG  17 -12.033 -12.737   4.198
  101    HB3  ARG  17           1HB      ARG  17 -11.124 -13.766   6.193
  102    HG3  ARG  17           1HG      ARG  17  -9.820 -15.658   5.343
  103    HD3  ARG  17           1HD      ARG  17 -11.970 -14.898   3.319
  104    HE   ARG  17           HE       ARG  17 -10.286 -17.144   3.398
  105   HH11  ARG  17          1HH1      ARG  17 -13.786 -16.603   3.361
  106   HH12  ARG  17          2HH1      ARG  17 -14.105 -18.142   2.618
  107   HH21  ARG  17          1HH2      ARG  17 -10.760 -19.102   2.466
  108   HH22  ARG  17          2HH2      ARG  17 -12.403 -19.544   2.106
  109    H    LEU  18           H        LEU  18  -9.481 -10.353   4.337
  110    HA   LEU  18           HA       LEU  18 -10.375  -9.152   6.838
  111    HB3  LEU  18           1HB      LEU  18  -8.101  -8.924   5.878
  112    HG   LEU  18           HG       LEU  18  -8.837  -7.872   3.569
  113   HD11  LEU  18          1HD1      LEU  18  -8.893  -5.401   5.351
  114   HD12  LEU  18          2HD1      LEU  18 -10.179  -5.979   4.265
  115   HD13  LEU  18          3HD1      LEU  18  -8.679  -5.376   3.587
  116   HD21  LEU  18          3HD2      LEU  18  -6.616  -6.685   5.289
  117   HD22  LEU  18          1HD2      LEU  18  -6.670  -6.637   3.520
  118   HD23  LEU  18          2HD2      LEU  18  -6.506  -8.194   4.360
  119    H    ALA  19           H        ALA  19 -11.212  -6.837   6.985
  120    HA   ALA  19           HA       ALA  19 -13.318  -6.292   4.907
  121    HB1  ALA  19           3HB      ALA  19 -14.933  -5.979   6.732
  122    HB2  ALA  19           1HB      ALA  19 -14.254  -7.618   6.767
  123    HB3  ALA  19           2HB      ALA  19 -13.680  -6.411   7.937
  124    H    GLY  20           H        GLY  20 -10.975  -4.821   7.071
  125    HA2  GLY  20           1HA      GLY  20 -12.355  -2.248   7.148
  126    HA3  GLY  20           2HA      GLY  20 -10.762  -2.626   7.840
  127    HA   PRO  21           HA       PRO  21 -10.212  -0.098   3.870
  128    HB3  PRO  21           1HB      PRO  21 -11.209   1.860   4.540
  129    HG3  PRO  21           1HG      PRO  21 -11.492   2.389   6.836
  130    HD3  PRO  21           1HD      PRO  21 -12.396   0.239   6.648
  131    H    THR  22           H        THR  22  -8.397  -1.140   3.358
  132    HA   THR  22           HA       THR  22  -5.949  -0.883   5.089
  133    HB   THR  22           HB       THR  22  -6.921  -3.428   3.709
  134    HG1  THR  22           HG1      THR  22  -8.183  -2.938   5.480
  135   HG21  THR  22          3HG2      THR  22  -4.609  -2.846   5.622
  136   HG22  THR  22          1HG2      THR  22  -4.476  -3.323   3.912
  137   HG23  THR  22          2HG2      THR  22  -5.120  -4.462   5.093
  138    H    LEU  23           H        LEU  23  -4.479   0.155   3.953
  139    HA   LEU  23           HA       LEU  23  -4.321  -0.163   1.024
  140    HB3  LEU  23           1HB      LEU  23  -2.565   1.391   2.970
  141    HG   LEU  23           HG       LEU  23  -1.371   1.048   0.867
  142   HD11  LEU  23          1HD1      LEU  23  -2.580   2.096  -1.263
  143   HD12  LEU  23          2HD1      LEU  23  -4.031   1.692  -0.350
  144   HD13  LEU  23          3HD1      LEU  23  -2.846   0.428  -0.755
  145   HD21  LEU  23          3HD2      LEU  23  -1.189   3.237   1.873
  146   HD22  LEU  23          1HD2      LEU  23  -2.622   3.798   0.954
  147   HD23  LEU  23          2HD2      LEU  23  -1.116   3.357   0.105
  148    H    VAL  24           H        VAL  24  -3.128  -1.708   0.122
  149    HA   VAL  24           HA       VAL  24  -1.069  -3.127   1.756
  150    HB   VAL  24           HB       VAL  24  -2.561  -4.138  -0.710
  151   HG11  VAL  24          1HG1      VAL  24  -0.325  -5.191  -0.384
  152   HG12  VAL  24          2HG1      VAL  24  -0.752  -5.605   1.279
  153   HG13  VAL  24          3HG1      VAL  24  -1.621  -6.346  -0.070
  154   HG21  VAL  24          3HG2      VAL  24  -4.154  -3.957   1.131
  155   HG22  VAL  24          1HG2      VAL  24  -3.776  -5.651   0.825
  156   HG23  VAL  24          2HG2      VAL  24  -3.036  -4.827   2.217
  157    H    GLU  25           H        GLU  25   0.907  -2.570   1.345
  158    HA   GLU  25           HA       GLU  25   1.676  -1.430  -1.298
  159    HB3  GLU  25           1HB      GLU  25   2.824  -1.067   1.485
  160    HG3  GLU  25           1HG      GLU  25   3.576   0.364  -1.099
  161    H    PHE  26           H        PHE  26   3.211  -2.310  -2.483
  162    HA   PHE  26           HA       PHE  26   4.768  -4.637  -1.441
  163    HB3  PHE  26           1HB      PHE  26   4.782  -5.476  -3.639
  164    HD1  PHE  26           HD1      PHE  26   2.864  -6.582  -2.149
  165    HD2  PHE  26           HD2      PHE  26   2.235  -3.365  -4.941
  166    HE1  PHE  26           HE1      PHE  26   0.404  -6.971  -2.063
  167    HE2  PHE  26           HE2      PHE  26  -0.195  -3.778  -4.874
  168    HZ   PHE  26           HZ       PHE  26  -1.127  -5.521  -3.366
  169    H    GLY  27           H        GLY  27   6.917  -4.396  -1.193
  170    HA2  GLY  27           1HA      GLY  27   8.707  -2.946  -2.836
  171    HA3  GLY  27           2HA      GLY  27   8.219  -1.876  -1.546
  172    H    THR  28           H        THR  28  10.574  -1.974  -1.095
  173    HA   THR  28           HA       THR  28  11.043  -3.777   1.166
  174    HB   THR  28           HB       THR  28  13.397  -4.203   0.538
  175    HG1  THR  28           HG1      THR  28  13.917  -3.940  -1.698
  176   HG21  THR  28          3HG2      THR  28  11.457  -5.412  -1.480
  177   HG22  THR  28          1HG2      THR  28  11.755  -5.978   0.179
  178   HG23  THR  28          2HG2      THR  28  13.046  -6.030  -1.033
  179    H    ASP  29           H        ASP  29  13.134  -3.013   2.324
  180    HA   ASP  29           HA       ASP  29  12.741  -0.145   2.785
  181    HB3  ASP  29           1HB      ASP  29  12.801  -1.700   4.697
  182    H    TRP  30           H        TRP  30  14.584  -1.837   0.649
  183    HA   TRP  30           HA       TRP  30  16.977  -0.063   0.823
  184    HB3  TRP  30           1HB      TRP  30  17.557  -2.178   1.626
  185    HD1  TRP  30           HD       TRP  30  16.158  -4.270   2.153
  186    HE1  TRP  30           HE1      TRP  30  15.323  -6.315   0.847
  187    HE3  TRP  30           HE3      TRP  30  17.343  -2.723  -2.576
  188    HZ2  TRP  30           HZ2      TRP  30  15.020  -7.079  -1.936
  189    HZ3  TRP  30           HZ3      TRP  30  16.764  -4.108  -4.530
  190    HH2  TRP  30           HH       TRP  30  15.553  -6.269  -4.236
  191    H    CYS  31           H        CYS  31  14.472  -1.059  -1.424
  192    HA   CYS  31           HA       CYS  31  16.073  -0.552  -3.803
  193    HB2  CYS  31           1HB      CYS  31  14.146  -2.023  -3.886
  194    HB3  CYS  31           2HB      CYS  31  13.067  -0.724  -3.365
  195    H    GLY  32           H        GLY  32  16.334   1.325  -4.938
  196    HA2  GLY  32           1HA      GLY  32  15.989   3.914  -3.751
  197    HA3  GLY  32           2HA      GLY  32  16.439   3.590  -5.423
  198    H    HIS  33           H        HIS  33  13.916   2.061  -5.938
  199    HA   HIS  33           HA       HIS  33  12.170   4.285  -6.613
  200    HB2  HIS  33           1HB      HIS  33  12.624   1.600  -7.484
  201    HB3  HIS  33           2HB      HIS  33  11.038   1.569  -6.793
  202    HD1  HIS  33           HD1      HIS  33  10.640   0.955  -9.550
  203    HD2  HIS  33           HD2      HIS  33  11.560   4.901  -8.477
  204    HE1  HIS  33           HE1      HIS  33   9.886   2.402 -11.487
  205    H    CYS  34           H        CYS  34  12.313   1.847  -4.059
  206    HA   CYS  34           HA       CYS  34   9.776   2.596  -2.780
  207    HB3  CYS  34           1HB      CYS  34  11.097   1.374  -0.832
  208    HG   CYS  34           HG       CYS  34  10.380  -0.006  -3.799
  209    H    GLN  35           H        GLN  35  13.181   3.613  -2.337
  210    HA   GLN  35           HA       GLN  35  12.795   4.973   0.103
  211    HB3  GLN  35           1HB      GLN  35  14.769   6.352  -0.460
  212    HG3  GLN  35           1HG      GLN  35  16.468   4.778  -0.956
  213   HE21  GLN  35          2HE2      GLN  35  14.782   1.943  -0.583
  214   HE22  GLN  35          1HE2      GLN  35  14.963   1.815   1.169
  215    H    ALA  36           H        ALA  36  11.833   5.913  -3.066
  216    HA   ALA  36           HA       ALA  36  11.316   8.741  -2.496
  217    HB1  ALA  36           3HB      ALA  36  10.595   6.908  -4.845
  218    HB2  ALA  36           1HB      ALA  36  10.443   8.682  -4.824
  219    HB3  ALA  36           2HB      ALA  36  12.047   7.923  -4.731
  220    H    ALA  37           H        ALA  37   9.450   5.719  -2.616
  221    HA   ALA  37           HA       ALA  37   6.875   7.098  -2.264
  222    HB1  ALA  37           3HB      ALA  37   7.071   5.195  -3.773
  223    HB2  ALA  37           1HB      ALA  37   7.586   4.150  -2.431
  224    HB3  ALA  37           2HB      ALA  37   5.939   4.860  -2.447
  225    H    GLN  38           H        GLN  38   9.153   5.289  -0.246
  226    HA   GLN  38           HA       GLN  38   7.484   4.691   1.949
  227    HB3  GLN  38           1HB      GLN  38   9.747   4.951   3.251
  228    HG3  GLN  38           1HG      GLN  38   9.377   3.001   0.928
  229   HE21  GLN  38          2HE2      GLN  38  10.801   2.187   4.097
  230   HE22  GLN  38          1HE2      GLN  38  12.426   1.981   3.450
  231    HA   PRO  39           HA       PRO  39   8.226   8.855   4.120
  232    HB3  PRO  39           1HB      PRO  39  10.339   9.706   3.683
  233    HG3  PRO  39           1HG      PRO  39  11.254   9.685   1.477
  234    HD3  PRO  39           1HD      PRO  39  10.733   7.470   1.985
  235    H    LEU  40           H        LEU  40   7.184   8.551   0.817
  236    HA   LEU  40           HA       LEU  40   5.498  10.920   0.665
  237    HB3  LEU  40           1HB      LEU  40   4.698   8.514  -0.897
  238    HG   LEU  40           HG       LEU  40   4.725   9.779  -2.771
  239   HD11  LEU  40          1HD1      LEU  40   3.374  11.587  -2.412
  240   HD12  LEU  40          2HD1      LEU  40   4.189  12.089  -0.902
  241   HD13  LEU  40          3HD1      LEU  40   3.112  10.673  -0.926
  242   HD21  LEU  40          3HD2      LEU  40   6.990  10.568  -2.757
  243   HD22  LEU  40          1HD2      LEU  40   6.605  11.777  -1.503
  244   HD23  LEU  40          2HD2      LEU  40   5.893  11.903  -3.136
  245    H    LEU  41           H        LEU  41   4.869   7.437   1.194
  246    HA   LEU  41           HA       LEU  41   2.118   7.707   1.877
  247    HB3  LEU  41           1HB      LEU  41   2.667   5.451   3.180
  248    HG   LEU  41           HG       LEU  41   2.442   4.090   1.296
  249   HD11  LEU  41          1HD1      LEU  41   0.554   4.968   0.103
  250   HD12  LEU  41          2HD1      LEU  41   0.920   6.617   0.612
  251   HD13  LEU  41          3HD1      LEU  41   0.451   5.401   1.809
  252   HD21  LEU  41          3HD2      LEU  41   2.762   4.886  -1.023
  253   HD22  LEU  41          1HD2      LEU  41   4.242   4.815  -0.064
  254   HD23  LEU  41          2HD2      LEU  41   3.501   6.372  -0.385
  255    H    ALA  42           H        ALA  42   5.026   7.705   3.908
  256    HA   ALA  42           HA       ALA  42   3.767   7.897   6.446
  257    HB1  ALA  42           3HB      ALA  42   5.942   8.787   7.182
  258    HB2  ALA  42           1HB      ALA  42   6.169   7.420   6.073
  259    HB3  ALA  42           2HB      ALA  42   6.406   9.085   5.491
  260    H    GLU  43           H        GLU  43   4.458  10.503   4.101
  261    HA   GLU  43           HA       GLU  43   3.587  12.652   5.850
  262    HB3  GLU  43           1HB      GLU  43   3.426  13.923   3.620
  263    HG3  GLU  43           1HG      GLU  43   5.976  13.742   3.242
  264    H    VAL  44           H        VAL  44   1.925  10.950   3.089
  265    HA   VAL  44           HA       VAL  44  -0.514  12.395   3.476
  266    HB   VAL  44           HB       VAL  44  -0.210  11.479   1.391
  267   HG11  VAL  44          1HG1      VAL  44  -0.129   9.183   0.786
  268   HG12  VAL  44          2HG1      VAL  44   1.198   9.586   1.830
  269   HG13  VAL  44          3HG1      VAL  44  -0.167   8.647   2.480
  270   HG21  VAL  44          3HG2      VAL  44  -2.349   9.731   2.670
  271   HG22  VAL  44          1HG2      VAL  44  -2.582  11.434   2.244
  272   HG23  VAL  44          2HG2      VAL  44  -2.256  10.238   0.967
  273    H    PHE  45           H        PHE  45   0.369   9.131   4.657
  274    HA   PHE  45           HA       PHE  45  -2.049   8.444   5.911
  275    HB3  PHE  45           1HB      PHE  45  -0.166   7.309   7.581
  276    HD1  PHE  45           HD1      PHE  45  -2.457   6.146   7.275
  277    HD2  PHE  45           HD2      PHE  45   0.785   5.889   4.432
  278    HE1  PHE  45           HE1      PHE  45  -3.249   3.929   6.508
  279    HE2  PHE  45           HE2      PHE  45  -0.026   3.695   3.701
  280    HZ   PHE  45           HZ       PHE  45  -2.079   2.721   4.707
  281    H    SER  46           H        SER  46   0.342  10.750   7.096
  282    HA   SER  46           HA       SER  46  -0.398  10.730   9.868
  283    HB3  SER  46           1HB      SER  46   0.589  13.035   9.866
  284    HG   SER  46           HG       SER  46   2.225  11.199   8.429
  285    H    ASP  47           H        ASP  47  -2.169  11.975   7.104
  286    HA   ASP  47           HA       ASP  47  -4.006  13.465   8.911
  287    HB3  ASP  47           1HB      ASP  47  -4.097  13.329   5.879
  288    H    TYR  48           H        TYR  48  -3.686  10.352   7.664
  289    HA   TYR  48           HA       TYR  48  -6.615   9.793   7.897
  290    HB3  TYR  48           1HB      TYR  48  -6.533   8.307   6.018
  291    HD1  TYR  48           HD2      TYR  48  -8.089  10.318   5.690
  292    HD2  TYR  48           HD1      TYR  48  -3.955  10.288   4.486
  293    HE1  TYR  48           HE2      TYR  48  -8.512  12.250   4.184
  294    HE2  TYR  48           HE1      TYR  48  -4.318  12.344   3.136
  295    HH   TYR  48           HH       TYR  48  -7.525  13.883   2.832
  296    HA   PRO  49           HA       PRO  49  -3.772   6.989  10.464
  297    HB3  PRO  49           1HB      PRO  49  -3.483   8.456  12.202
  298    HG3  PRO  49           1HG      PRO  49  -5.120  10.135  12.694
  299    HD3  PRO  49           1HD      PRO  49  -4.524  10.347  10.421
  300    H    GLU  50           H        GLU  50  -7.264   7.285  10.104
  301    HA   GLU  50           HA       GLU  50  -7.909   4.762  11.405
  302    HB3  GLU  50           1HB      GLU  50  -9.545   6.526  11.299
  303    HG3  GLU  50           1HG      GLU  50 -10.866   6.476   9.039
  304    H    VAL  51           H        VAL  51  -6.408   5.453   8.391
  305    HA   VAL  51           HA       VAL  51  -7.313   2.944   7.076
  306    HB   VAL  51           HB       VAL  51  -5.210   4.960   6.187
  307   HG11  VAL  51          1HG1      VAL  51  -6.536   2.644   4.692
  308   HG12  VAL  51          2HG1      VAL  51  -5.475   3.860   3.962
  309   HG13  VAL  51          3HG1      VAL  51  -4.823   2.739   5.149
  310   HG21  VAL  51          3HG2      VAL  51  -8.103   4.588   5.291
  311   HG22  VAL  51          1HG2      VAL  51  -7.441   5.974   6.192
  312   HG23  VAL  51          2HG2      VAL  51  -6.916   5.674   4.528
  313    H    GLY  52           H        GLY  52  -6.098   1.084   7.028
  314    HA2  GLY  52           1HA      GLY  52  -3.688   0.849   8.789
  315    HA3  GLY  52           2HA      GLY  52  -4.646  -0.471   8.103
  316    H    HIS  53           H        HIS  53  -1.698  -0.079   7.984
  317    HA   HIS  53           HA       HIS  53  -1.442  -0.152   5.007
  318    HB2  HIS  53           1HB      HIS  53  -0.352   1.866   6.313
  319    HB3  HIS  53           2HB      HIS  53   0.859   0.692   6.764
  320    HD1  HIS  53           HD1      HIS  53   2.614   2.209   5.216
  321    HD2  HIS  53           HD2      HIS  53  -0.608   0.424   3.181
  322    HE1  HIS  53           HE1      HIS  53   3.074   2.419   2.707
  323    H    LEU  54           H        LEU  54  -1.094  -2.226   4.411
  324    HA   LEU  54           HA       LEU  54   0.638  -4.006   6.065
  325    HB3  LEU  54           1HB      LEU  54  -1.113  -4.517   3.631
  326    HG   LEU  54           HG       LEU  54   0.725  -6.104   3.527
  327   HD11  LEU  54          1HD1      LEU  54   0.052  -6.792   6.416
  328   HD12  LEU  54          2HD1      LEU  54   1.578  -6.115   5.811
  329   HD13  LEU  54          3HD1      LEU  54   1.112  -7.750   5.355
  330   HD21  LEU  54          3HD2      LEU  54  -1.757  -7.423   4.707
  331   HD22  LEU  54          1HD2      LEU  54  -0.565  -8.170   3.619
  332   HD23  LEU  54          2HD2      LEU  54  -1.609  -6.860   3.032
  333    H    LYS  55           H        LYS  55   2.737  -3.616   5.733
  334    HA   LYS  55           HA       LYS  55   3.761  -2.829   3.048
  335    HB3  LYS  55           1HB      LYS  55   5.900  -2.644   4.212
  336    HG3  LYS  55           1HG      LYS  55   4.443  -0.651   4.062
  337    HD3  LYS  55           1HD      LYS  55   2.751  -0.991   5.666
  338    HE3  LYS  55           1HE      LYS  55   4.984  -1.405   7.709
  339    HZ1  LYS  55           3HZ      LYS  55   3.101  -1.805   9.249
  340    HZ2  LYS  55           1HZ      LYS  55   2.026  -1.304   8.111
  341    HZ3  LYS  55           2HZ      LYS  55   3.145  -0.254   8.747
  342    H    VAL  56           H        VAL  56   3.907  -4.576   1.738
  343    HA   VAL  56           HA       VAL  56   4.922  -7.177   2.808
  344    HB   VAL  56           HB       VAL  56   3.973  -6.476  -0.001
  345   HG11  VAL  56          1HG1      VAL  56   3.828  -8.920  -0.323
  346   HG12  VAL  56          2HG1      VAL  56   5.474  -8.447   0.054
  347   HG13  VAL  56          3HG1      VAL  56   4.472  -9.183   1.312
  348   HG21  VAL  56          3HG2      VAL  56   2.474  -7.773   2.304
  349   HG22  VAL  56          1HG2      VAL  56   2.087  -6.237   1.505
  350   HG23  VAL  56          2HG2      VAL  56   1.934  -7.749   0.606
  351    H    GLU  57           H        GLU  57   6.886  -7.629   2.857
  352    HA   GLU  57           HA       GLU  57   8.960  -6.197   1.448
  353    HB3  GLU  57           1HB      GLU  57   9.393  -8.813   2.911
  354    HG3  GLU  57           1HG      GLU  57  10.773  -6.114   2.821
  355    H    ASP  58           H        ASP  58   8.033  -6.497  -0.644
  356    HA   ASP  58           HA       ASP  58   7.131  -8.987  -1.589
  357    HB3  ASP  58           1HB      ASP  58   7.630  -6.447  -3.196
  358    H    GLY  59           H        GLY  59  10.247  -7.743  -1.758
  359    HA2  GLY  59           1HA      GLY  59  11.193  -9.161  -4.166
  360    HA3  GLY  59           2HA      GLY  59  12.198  -8.315  -2.966
  361    HA   PRO  60           HA       PRO  60  13.175 -12.220  -1.277
  362    HB3  PRO  60           1HB      PRO  60  14.718 -10.918  -0.109
  363    HG3  PRO  60           1HG      PRO  60  14.007  -9.030   1.205
  364    HD3  PRO  60           1HD      PRO  60  13.284  -8.584  -0.980
  365    H    GLY  61           H        GLY  61  10.315 -10.815   0.256
  366    HA2  GLY  61           1HA      GLY  61   9.811 -13.068   2.063
  367    HA3  GLY  61           2HA      GLY  61   8.776 -11.653   1.760
  368    H    ARG  62           H        ARG  62   7.016 -13.212   1.884
  369    HA   ARG  62           HA       ARG  62   6.660 -15.423   0.185
  370    HB3  ARG  62           1HB      ARG  62   4.466 -13.572   1.233
  371    HG3  ARG  62           1HG      ARG  62   4.480 -16.590   0.694
  372    HD3  ARG  62           1HD      ARG  62   2.034 -16.452   1.038
  373    HE   ARG  62           HE       ARG  62   2.685 -15.169   3.522
  374   HH11  ARG  62          1HH1      ARG  62   3.369 -18.204   1.816
  375   HH12  ARG  62          2HH1      ARG  62   3.695 -19.053   3.294
  376   HH21  ARG  62          1HH2      ARG  62   3.139 -16.283   5.338
  377   HH22  ARG  62          2HH2      ARG  62   3.582 -17.967   5.279
  378    H    ARG  63           H        ARG  63   6.041 -12.037  -0.467
  379    HA   ARG  63           HA       ARG  63   5.752 -10.807  -2.326
  380    HB3  ARG  63           1HB      ARG  63   5.770 -13.317  -4.038
  381    HG3  ARG  63           1HG      ARG  63   6.299 -10.395  -4.628
  382    HD3  ARG  63           1HD      ARG  63   6.779 -11.139  -6.946
  383    HE   ARG  63           HE       ARG  63   8.577 -11.132  -4.861
  384   HH11  ARG  63          1HH1      ARG  63   8.438 -12.812  -7.980
  385   HH12  ARG  63          2HH1      ARG  63  10.151 -13.114  -7.987
  386   HH21  ARG  63          1HH2      ARG  63  10.746 -11.674  -4.875
  387   HH22  ARG  63          2HH2      ARG  63  11.442 -12.414  -6.285
  388    H    LEU  64           H        LEU  64   3.954  -9.828  -3.002
  389    HA   LEU  64           HA       LEU  64   1.336 -11.306  -3.109
  390    HB3  LEU  64           1HB      LEU  64   1.750  -8.727  -1.593
  391    HG   LEU  64           HG       LEU  64  -0.598  -9.431  -2.110
  392   HD11  LEU  64          1HD1      LEU  64  -1.510 -11.415  -0.807
  393   HD12  LEU  64          2HD1      LEU  64   0.170 -11.914  -0.533
  394   HD13  LEU  64          3HD1      LEU  64  -0.491 -11.841  -2.181
  395   HD21  LEU  64          3HD2      LEU  64   0.233  -9.621   0.821
  396   HD22  LEU  64          1HD2      LEU  64  -1.416  -9.313   0.255
  397   HD23  LEU  64          2HD2      LEU  64  -0.147  -8.131  -0.067
  398    H    GLY  65           H        GLY  65   3.254  -8.478  -4.173
  399    HA2  GLY  65           1HA      GLY  65   1.263  -7.232  -5.768
  400    HA3  GLY  65           2HA      GLY  65   3.016  -7.160  -6.048
  401    H    ARG  66           H        ARG  66   3.121 -10.104  -6.373
  402    HA   ARG  66           HA       ARG  66   2.640 -10.712  -9.102
  403    HB3  ARG  66           1HB      ARG  66   2.806 -12.360  -6.553
  404    HG3  ARG  66           1HG      ARG  66   2.947 -13.422  -9.406
  405    HD3  ARG  66           1HD      ARG  66   4.557 -14.543  -7.928
  406    HE   ARG  66           HE       ARG  66   2.234 -14.768  -6.062
  407   HH11  ARG  66          1HH1      ARG  66   5.577 -15.777  -6.621
  408   HH12  ARG  66          2HH1      ARG  66   5.897 -15.960  -4.925
  409   HH21  ARG  66          1HH2      ARG  66   2.759 -14.940  -3.883
  410   HH22  ARG  66          2HH2      ARG  66   4.358 -15.413  -3.408
  411    H    SER  67           H        SER  67   0.587 -11.499  -6.248
  412    HA   SER  67           HA       SER  67  -1.574 -12.536  -7.932
  413    HB3  SER  67           1HB      SER  67  -2.525 -13.220  -5.789
  414    HG   SER  67           HG       SER  67  -0.825 -14.550  -5.116
  415    H    PHE  68           H        PHE  68  -0.792  -9.461  -6.749
  416    HA   PHE  68           HA       PHE  68  -3.527  -8.407  -7.227
  417    HB3  PHE  68           1HB      PHE  68  -2.120  -6.197  -6.864
  418    HD1  PHE  68           HD2      PHE  68  -4.311  -5.923  -5.863
  419    HD2  PHE  68           HD1      PHE  68  -1.274  -8.347  -4.035
  420    HE1  PHE  68           HE2      PHE  68  -5.536  -5.823  -3.706
  421    HE2  PHE  68           HE1      PHE  68  -2.481  -8.281  -1.866
  422    HZ   PHE  68           HZ       PHE  68  -4.637  -6.954  -1.727
  423    H    GLN  69           H        GLN  69  -0.945  -9.427  -9.134
  424    HA   GLN  69           HA       GLN  69  -0.214  -8.994 -11.238
  425    HB3  GLN  69           1HB      GLN  69  -1.978  -8.502 -12.880
  426    HG3  GLN  69           1HG      GLN  69  -1.645 -10.806 -11.932
  427   HE21  GLN  69          2HE2      GLN  69  -4.415  -9.158 -10.241
  428   HE22  GLN  69          1HE2      GLN  69  -4.478 -10.422  -9.008
  429    H    VAL  70           H        VAL  70   0.696  -7.165  -9.564
  430    HA   VAL  70           HA       VAL  70   0.191  -4.424 -10.121
  431    HB   VAL  70           HB       VAL  70   2.486  -5.932  -8.859
  432   HG11  VAL  70          1HG1      VAL  70   3.634  -4.010  -9.738
  433   HG12  VAL  70          2HG1      VAL  70   2.337  -2.920  -9.205
  434   HG13  VAL  70          3HG1      VAL  70   3.373  -3.746  -8.016
  435   HG21  VAL  70          3HG2      VAL  70   0.276  -5.731  -7.673
  436   HG22  VAL  70          1HG2      VAL  70   1.609  -4.947  -6.826
  437   HG23  VAL  70          2HG2      VAL  70   0.425  -3.969  -7.747
  438    H    LYS  71           H        LYS  71   1.054  -2.921 -11.457
  439    HA   LYS  71           HA       LYS  71   2.080  -3.959 -13.987
  440    HB3  LYS  71           1HB      LYS  71   1.528  -1.788 -14.855
  441    HG3  LYS  71           1HG      LYS  71  -0.757  -1.459 -14.322
  442    HD3  LYS  71           1HD      LYS  71  -0.163  -4.411 -13.859
  443    HE3  LYS  71           1HE      LYS  71  -2.740  -3.164 -14.856
  444    HZ1  LYS  71           3HZ      LYS  71  -3.600  -5.309 -14.082
  445    HZ2  LYS  71           1HZ      LYS  71  -2.115  -5.741 -13.526
  446    HZ3  LYS  71           2HZ      LYS  71  -2.377  -5.581 -15.143
  447    H    LEU  72           H        LEU  72   3.268  -1.609 -11.607
  448    HA   LEU  72           HA       LEU  72   5.992  -1.565 -12.829
  449    HB3  LEU  72           1HB      LEU  72   4.815   0.201 -10.646
  450    HG   LEU  72           HG       LEU  72   7.377   0.286 -10.914
  451   HD11  LEU  72          1HD1      LEU  72   8.246   1.473 -12.906
  452   HD12  LEU  72          2HD1      LEU  72   6.643   1.378 -13.653
  453   HD13  LEU  72          3HD1      LEU  72   7.558  -0.104 -13.317
  454   HD21  LEU  72          3HD2      LEU  72   5.842   2.785 -11.702
  455   HD22  LEU  72          1HD2      LEU  72   7.442   2.723 -10.929
  456   HD23  LEU  72          2HD2      LEU  72   6.006   2.192 -10.035
  457    H    TRP  73           H        TRP  73   6.158  -0.794  -9.623
  458    HA   TRP  73           HA       TRP  73   5.878  -3.373  -8.404
  459    HB3  TRP  73           1HB      TRP  73   8.697  -2.285  -8.483
  460    HD1  TRP  73           HD       TRP  73   7.016  -5.714  -7.779
  461    HE1  TRP  73           HE1      TRP  73   7.924  -6.641  -5.575
  462    HE3  TRP  73           HE3      TRP  73  10.049  -1.815  -6.510
  463    HZ2  TRP  73           HZ2      TRP  73  10.074  -5.932  -3.697
  464    HZ3  TRP  73           HZ3      TRP  73  11.472  -1.935  -4.489
  465    HH2  TRP  73           HH       TRP  73  11.561  -3.992  -3.139
  466    HA   PRO  74           HA       PRO  74   6.578  -0.185  -4.988
  467    HB3  PRO  74           1HB      PRO  74   8.394   1.212  -5.293
  468    HG3  PRO  74           1HG      PRO  74   8.884   2.141  -7.432
  469    HD3  PRO  74           1HD      PRO  74   8.886  -0.224  -7.645
  470    H    THR  75           H        THR  75   4.424  -0.563  -4.899
  471    HA   THR  75           HA       THR  75   2.390   1.175  -6.190
  472    HB   THR  75           HB       THR  75   2.761  -1.804  -6.718
  473    HG1  THR  75           HG1      THR  75   3.697   0.260  -7.910
  474   HG21  THR  75          3HG2      THR  75   0.375  -1.473  -6.526
  475   HG22  THR  75          1HG2      THR  75   0.750  -1.481  -8.256
  476   HG23  THR  75          2HG2      THR  75   0.451   0.056  -7.435
  477    H    PHE  76           H        PHE  76   0.498   1.148  -5.057
  478    HA   PHE  76           HA       PHE  76   0.191  -0.812  -2.879
  479    HB3  PHE  76           1HB      PHE  76   1.134   0.774  -1.526
  480    HD1  PHE  76           HD1      PHE  76   2.839   1.873  -2.953
  481    HD2  PHE  76           HD2      PHE  76  -1.126   3.464  -2.321
  482    HE1  PHE  76           HE1      PHE  76   3.588   4.064  -3.835
  483    HE2  PHE  76           HE2      PHE  76  -0.345   5.658  -3.075
  484    HZ   PHE  76           HZ       PHE  76   1.975   5.960  -3.914
  485    H    VAL  77           H        VAL  77  -1.692  -1.585  -2.704
  486    HA   VAL  77           HA       VAL  77  -3.918  -0.565  -4.405
  487    HB   VAL  77           HB       VAL  77  -3.404  -3.352  -3.311
  488   HG11  VAL  77          1HG1      VAL  77  -5.623  -2.216  -5.074
  489   HG12  VAL  77          2HG1      VAL  77  -5.301  -3.939  -4.931
  490   HG13  VAL  77          3HG1      VAL  77  -5.808  -3.023  -3.503
  491   HG21  VAL  77          3HG2      VAL  77  -1.895  -2.512  -5.240
  492   HG22  VAL  77          1HG2      VAL  77  -2.829  -3.982  -5.564
  493   HG23  VAL  77          2HG2      VAL  77  -3.357  -2.430  -6.214
  494    H    PHE  78           H        PHE  78  -5.630   0.307  -3.495
  495    HA   PHE  78           HA       PHE  78  -5.933   0.291  -0.551
  496    HB3  PHE  78           1HB      PHE  78  -7.752   1.916  -1.006
  497    HD1  PHE  78           HD2      PHE  78  -5.046   2.380  -3.565
  498    HD2  PHE  78           HD1      PHE  78  -6.563   3.573   0.295
  499    HE1  PHE  78           HE2      PHE  78  -3.256   4.067  -3.376
  500    HE2  PHE  78           HE1      PHE  78  -4.812   5.346   0.405
  501    HZ   PHE  78           HZ       PHE  78  -3.183   5.588  -1.461
  502    H    LEU  79           H        LEU  79  -6.974  -1.378   0.337
  503    HA   LEU  79           HA       LEU  79  -9.244  -2.637  -1.111
  504    HB3  LEU  79           1HB      LEU  79  -9.181  -4.371   0.645
  505    HG   LEU  79           HG       LEU  79  -6.375  -4.015  -0.378
  506   HD11  LEU  79          1HD1      LEU  79  -6.730  -5.709   1.424
  507   HD12  LEU  79          2HD1      LEU  79  -6.314  -6.496  -0.118
  508   HD13  LEU  79          3HD1      LEU  79  -8.005  -6.461   0.418
  509   HD21  LEU  79          3HD2      LEU  79  -6.997  -5.603  -2.188
  510   HD22  LEU  79          1HD2      LEU  79  -7.740  -4.015  -2.347
  511   HD23  LEU  79          2HD2      LEU  79  -8.687  -5.416  -1.730
  512    H    ARG  80           H        ARG  80 -11.084  -3.003  -0.011
  513    HA   ARG  80           HA       ARG  80 -11.695  -2.186   2.676
  514    HB3  ARG  80           1HB      ARG  80 -13.406  -0.683   0.669
  515    HG3  ARG  80           1HG      ARG  80 -12.670  -0.307   3.603
  516    HD3  ARG  80           1HD      ARG  80 -14.274   1.569   1.819
  517    HE   ARG  80           HE       ARG  80 -14.675   1.293   4.445
  518   HH11  ARG  80          1HH1      ARG  80 -12.889   3.933   2.798
  519   HH12  ARG  80          2HH1      ARG  80 -13.291   5.056   4.065
  520   HH21  ARG  80          1HH2      ARG  80 -15.121   2.855   5.988
  521   HH22  ARG  80          2HH2      ARG  80 -14.513   4.467   5.801
  522    H    ASP  81           H        ASP  81 -13.414  -3.430   3.412
  523    HA   ASP  81           HA       ASP  81 -14.716  -5.270   3.488
  524    HB3  ASP  81           1HB      ASP  81 -15.461  -4.965   0.569
  525    H    GLY  82           H        GLY  82 -11.855  -5.327   2.522
  526    HA2  GLY  82           1HA      GLY  82 -10.281  -6.955   2.010
  527    HA3  GLY  82           2HA      GLY  82 -11.593  -8.152   1.885
  528    H    ARG  83           H        ARG  83 -11.901  -5.321  -0.090
  529    HA   ARG  83           HA       ARG  83 -11.128  -6.829  -2.555
  530    HB3  ARG  83           1HB      ARG  83 -13.691  -5.227  -2.058
  531    HG3  ARG  83           1HG      ARG  83 -12.914  -7.130  -4.307
  532    HD3  ARG  83           1HD      ARG  83 -15.278  -5.200  -4.076
  533    HE   ARG  83           HE       ARG  83 -15.436  -7.261  -6.068
  534   HH11  ARG  83          1HH1      ARG  83 -13.928  -4.056  -5.688
  535   HH12  ARG  83          2HH1      ARG  83 -14.023  -3.746  -7.384
  536   HH21  ARG  83          1HH2      ARG  83 -15.449  -6.779  -8.239
  537   HH22  ARG  83          2HH2      ARG  83 -14.849  -5.251  -8.805
  538    H    GLU  84           H        GLU  84 -10.137  -5.574  -4.067
  539    HA   GLU  84           HA       GLU  84  -9.125  -3.022  -3.512
  540    HB3  GLU  84           1HB      GLU  84  -9.529  -4.453  -6.155
  541    HG3  GLU  84           1HG      GLU  84  -7.928  -1.964  -5.523
  542    H    VAL  85           H        VAL  85  -9.960  -1.174  -3.276
  543    HA   VAL  85           HA       VAL  85 -12.395  -0.294  -4.779
  544    HB   VAL  85           HB       VAL  85 -12.333   1.682  -3.260
  545   HG11  VAL  85          1HG1      VAL  85 -13.332   0.539  -1.369
  546   HG12  VAL  85          2HG1      VAL  85 -13.831  -0.247  -2.881
  547   HG13  VAL  85          3HG1      VAL  85 -12.574  -0.998  -1.850
  548   HG21  VAL  85          3HG2      VAL  85 -11.082   1.705  -1.228
  549   HG22  VAL  85          1HG2      VAL  85 -10.420   0.097  -1.514
  550   HG23  VAL  85          2HG2      VAL  85  -9.895   1.449  -2.530
  551    H    ALA  86           H        ALA  86  -8.948   0.135  -4.569
  552    HA   ALA  86           HA       ALA  86  -8.714   1.485  -7.080
  553    HB1  ALA  86           3HB      ALA  86  -7.741   3.630  -6.147
  554    HB2  ALA  86           1HB      ALA  86  -9.454   3.465  -5.772
  555    HB3  ALA  86           2HB      ALA  86  -8.211   3.093  -4.526
  556    H    ARG  87           H        ARG  87  -6.342   2.317  -7.292
  557    HA   ARG  87           HA       ARG  87  -4.485   1.464  -5.292
  558    HB3  ARG  87           1HB      ARG  87  -4.694  -0.643  -6.507
  559    HG3  ARG  87           1HG      ARG  87  -3.576   0.944  -8.874
  560    HD3  ARG  87           1HD      ARG  87  -2.483  -1.253  -8.245
  561    HE   ARG  87           HE       ARG  87  -5.166  -2.244  -8.475
  562   HH11  ARG  87          1HH1      ARG  87  -1.928  -3.238  -9.574
  563   HH12  ARG  87          2HH1      ARG  87  -2.377  -4.932  -9.534
  564   HH21  ARG  87          1HH2      ARG  87  -5.589  -4.424  -8.368
  565   HH22  ARG  87          2HH2      ARG  87  -4.346  -5.568  -8.875
  566    H    VAL  88           H        VAL  88  -2.427   2.386  -5.551
  567    HA   VAL  88           HA       VAL  88  -2.147   4.527  -7.659
  568    HB   VAL  88           HB       VAL  88  -1.452   4.649  -4.728
  569   HG11  VAL  88          1HG1      VAL  88  -0.654   7.004  -5.168
  570   HG12  VAL  88          2HG1      VAL  88   0.364   5.799  -5.961
  571   HG13  VAL  88          3HG1      VAL  88  -0.835   6.717  -6.909
  572   HG21  VAL  88          3HG2      VAL  88  -2.938   6.502  -4.468
  573   HG22  VAL  88          1HG2      VAL  88  -3.276   6.541  -6.232
  574   HG23  VAL  88          2HG2      VAL  88  -3.841   5.196  -5.241
  575    H    VAL  89           H        VAL  89  -0.127   4.750  -8.518
  576    HA   VAL  89           HA       VAL  89   2.103   3.016  -7.644
  577    HB   VAL  89           HB       VAL  89   1.053   1.535  -9.135
  578   HG11  VAL  89          1HG1      VAL  89   0.360   2.049 -11.437
  579   HG12  VAL  89          2HG1      VAL  89  -0.567   2.969 -10.258
  580   HG13  VAL  89          3HG1      VAL  89   0.732   3.765 -11.169
  581   HG21  VAL  89          3HG2      VAL  89   3.094   2.925 -10.915
  582   HG22  VAL  89          1HG2      VAL  89   3.525   1.898  -9.527
  583   HG23  VAL  89          2HG2      VAL  89   2.629   1.212 -10.895
  584    H    ARG  90           H        ARG  90   4.025   3.886  -7.950
  585    HA   ARG  90           HA       ARG  90   5.626   5.414  -8.237
  586    HB3  ARG  90           1HB      ARG  90   4.564   6.217 -10.942
  587    HG3  ARG  90           1HG      ARG  90   7.224   5.178  -9.862
  588    HD3  ARG  90           1HD      ARG  90   6.818   6.680 -12.457
  589    HE   ARG  90           HE       ARG  90   9.038   5.226 -11.166
  590   HH11  ARG  90          1HH1      ARG  90   7.935   6.464 -14.289
  591   HH12  ARG  90          2HH1      ARG  90   9.536   6.405 -14.969
  592   HH21  ARG  90          1HH2      ARG  90  10.989   5.133 -12.052
  593   HH22  ARG  90          2HH2      ARG  90  11.285   5.680 -13.696
  594    HA   PRO  91           HA       PRO  91   2.313   8.438  -6.880
  595    HB3  PRO  91           1HB      PRO  91   2.498   7.942  -4.736
  596    HG3  PRO  91           1HG      PRO  91   4.479   7.002  -3.833
  597    HD3  PRO  91           1HD      PRO  91   3.968   5.777  -5.812
  598    H    GLY  92           H        GLY  92   5.782   9.466  -6.821
  599    HA2  GLY  92           1HA      GLY  92   6.769  11.256  -7.909
  600    HA3  GLY  92           2HA      GLY  92   5.177  11.757  -8.528
  601    H    SER  93           H        SER  93   3.725  12.305  -6.271
  602    HA   SER  93           HA       SER  93   5.206  13.855  -4.316
  603    HB3  SER  93           1HB      SER  93   3.325  15.459  -6.058
  604    HG   SER  93           HG       SER  93   4.456  17.172  -4.993
  605    H    ALA  94           H        ALA  94   3.867  14.749  -2.656
  606    HA   ALA  94           HA       ALA  94   1.857  12.998  -1.699
  607    HB1  ALA  94           3HB      ALA  94   1.606  14.719   0.055
  608    HB2  ALA  94           1HB      ALA  94   3.325  14.440  -0.314
  609    HB3  ALA  94           2HB      ALA  94   2.505  15.882  -0.966
  610    H    SER  95           H        SER  95   1.482  15.945  -3.674
  611    HA   SER  95           HA       SER  95  -1.301  16.341  -3.326
  612    HB3  SER  95           1HB      SER  95   0.083  17.944  -4.493
  613    HG   SER  95           HG       SER  95   0.943  17.424  -6.583
  614    H    VAL  96           H        VAL  96   0.366  13.901  -5.329
  615    HA   VAL  96           HA       VAL  96  -2.136  13.011  -6.632
  616    HB   VAL  96           HB       VAL  96   0.673  11.827  -6.607
  617   HG11  VAL  96          1HG1      VAL  96  -0.048  10.574  -8.633
  618   HG12  VAL  96          2HG1      VAL  96  -0.925  10.063  -7.194
  619   HG13  VAL  96          3HG1      VAL  96  -1.714  11.134  -8.384
  620   HG21  VAL  96          3HG2      VAL  96   0.655  14.037  -7.703
  621   HG22  VAL  96          1HG2      VAL  96   0.855  12.768  -8.910
  622   HG23  VAL  96          2HG2      VAL  96  -0.735  13.558  -8.693
  623    H    LEU  97           H        LEU  97   0.017  11.920  -4.006
  624    HA   LEU  97           HA       LEU  97  -1.411   9.435  -3.620
  625    HB3  LEU  97           1HB      LEU  97   0.113  10.399  -1.301
  626    HG   LEU  97           HG       LEU  97   0.643   8.222  -3.399
  627   HD11  LEU  97          1HD1      LEU  97   1.843   8.554  -0.624
  628   HD12  LEU  97          2HD1      LEU  97   2.671   8.782  -2.188
  629   HD13  LEU  97          3HD1      LEU  97   2.083   7.191  -1.754
  630   HD21  LEU  97          3HD2      LEU  97  -0.207   6.818  -1.311
  631   HD22  LEU  97          1HD2      LEU  97  -1.382   7.561  -2.412
  632   HD23  LEU  97          2HD2      LEU  97  -1.002   8.335  -0.881
  633    H    GLU  98           H        GLU  98  -1.427  12.500  -1.753
  634    HA   GLU  98           HA       GLU  98  -3.482  11.860   0.074
  635    HB3  GLU  98           1HB      GLU  98  -3.872  14.324   0.156
  636    HG3  GLU  98           1HG      GLU  98  -0.909  13.614   0.205
  637    H    GLU  99           H        GLU  99  -3.774  13.173  -3.266
  638    HA   GLU  99           HA       GLU  99  -6.554  13.625  -3.356
  639    HB3  GLU  99           1HB      GLU  99  -4.527  12.793  -5.455
  640    HG3  GLU  99           1HG      GLU  99  -7.439  13.496  -5.844
  641    H    ALA 100           H        ALA 100  -4.762  10.588  -3.749
  642    HA   ALA 100           HA       ALA 100  -7.189   9.046  -4.349
  643    HB1  ALA 100           3HB      ALA 100  -4.993   8.455  -5.295
  644    HB2  ALA 100           1HB      ALA 100  -4.358   8.148  -3.663
  645    HB3  ALA 100           2HB      ALA 100  -5.663   7.124  -4.325
  646    H    PHE 101           H        PHE 101  -5.080   9.573  -1.450
  647    HA   PHE 101           HA       PHE 101  -6.327   7.641   0.211
  648    HB3  PHE 101           1HB      PHE 101  -5.655   9.587   1.950
  649    HD1  PHE 101           HD1      PHE 101  -3.247   7.911  -0.529
  650    HD2  PHE 101           HD2      PHE 101  -4.898   7.998   3.482
  651    HE1  PHE 101           HE1      PHE 101  -1.663   6.223   0.196
  652    HE2  PHE 101           HE2      PHE 101  -3.275   6.272   4.164
  653    HZ   PHE 101           HZ       PHE 101  -1.641   5.379   2.479
  654    H    GLU 102           H        GLU 102  -7.133  11.146  -0.124
  655    HA   GLU 102           HA       GLU 102  -9.363  11.118   1.628
  656    HB3  GLU 102           1HB      GLU 102  -8.460  13.197   0.978
  657    HG3  GLU 102           1HG      GLU 102  -8.307  12.304  -1.664
  658    H    SER 103           H        SER 103  -9.160  10.194  -1.791
  659    HA   SER 103           HA       SER 103 -12.002  10.036  -2.188
  660    HB3  SER 103           1HB      SER 103  -9.772   8.673  -3.743
  661    HG   SER 103           HG       SER 103 -11.320   8.912  -5.470
  662    H    LEU 104           H        LEU 104  -9.608   7.758  -0.908
  663    HA   LEU 104           HA       LEU 104 -11.604   5.522  -1.014
  664    HB3  LEU 104           1HB      LEU 104  -9.605   4.127  -0.361
  665    HG   LEU 104           HG       LEU 104  -8.849   3.715  -2.445
  666   HD11  LEU 104          1HD1      LEU 104 -11.409   3.764  -2.396
  667   HD12  LEU 104          2HD1      LEU 104 -10.656   3.803  -3.988
  668   HD13  LEU 104          3HD1      LEU 104 -11.298   5.299  -3.279
  669   HD21  LEU 104          3HD2      LEU 104  -9.220   6.596  -3.290
  670   HD22  LEU 104          1HD2      LEU 104  -8.567   5.323  -4.297
  671   HD23  LEU 104          2HD2      LEU 104  -7.670   5.807  -2.857
  672    H    VAL 105           H        VAL 105  -9.962   7.544   1.316
  673    HA   VAL 105           HA       VAL 105 -10.794   6.041   3.619
  674    HB   VAL 105           HB       VAL 105  -9.020   7.959   3.398
  675   HG11  VAL 105          1HG1      VAL 105 -10.671   9.708   2.673
  676   HG12  VAL 105          2HG1      VAL 105 -11.385   9.640   4.287
  677   HG13  VAL 105          3HG1      VAL 105  -9.709  10.154   4.076
  678   HG21  VAL 105          3HG2      VAL 105 -10.786   7.855   5.865
  679   HG22  VAL 105          1HG2      VAL 105  -9.574   6.639   5.423
  680   HG23  VAL 105          2HG2      VAL 105  -9.057   8.298   5.757
  681    H    GLY 106           H        GLY 106 -12.404   8.325   1.492
  682    HA2  GLY 106           1HA      GLY 106 -14.705   8.479   1.208
  683    HA3  GLY 106           2HA      GLY 106 -15.001   7.918   2.882
  684    H    GLU 107           H        GLU 107 -12.631  10.403   2.683
  685    HA   GLU 107           HA       GLU 107 -14.465  12.444   3.768
  686    HB3  GLU 107           1HB      GLU 107 -12.216  13.765   3.751
  687    HG3  GLU 107           1HG      GLU 107 -11.266  12.479   5.697
  688    H    GLY 108           H        GLY 108 -12.916  11.616   0.745
  689    HA2  GLY 108           1HA      GLY 108 -13.249  14.257  -0.491
  690    HA3  GLY 108           2HA      GLY 108 -12.575  12.783  -1.223
  Start of MODEL   17
    1    H1   MET   1           H        MET   1  14.437   5.488   8.882
    2    HA   MET   1           HA       MET   1  15.213   3.850  10.358
    3    HB3  MET   1           1HB      MET   1  14.817   6.212  12.240
    4    HG3  MET   1           1HG      MET   1  16.856   3.952  12.226
    5    HE1  MET   1           3HE      MET   1  16.710   7.182  15.535
    6    HE2  MET   1           1HE      MET   1  15.577   7.245  14.169
    7    HE3  MET   1           2HE      MET   1  15.537   5.876  15.310
    8    H    LYS   2           H        LYS   2  12.207   5.357  11.410
    9    HA   LYS   2           HA       LYS   2  11.573   3.406  13.486
   10    HB3  LYS   2           1HB      LYS   2   9.850   5.469  12.030
   11    HG3  LYS   2           1HG      LYS   2   9.472   4.099  14.742
   12    HD3  LYS   2           1HD      LYS   2   7.887   6.285  13.320
   13    HE3  LYS   2           1HE      LYS   2   6.411   4.597  14.425
   14    HZ1  LYS   2           3HZ      LYS   2   6.406   4.580  16.850
   15    HZ2  LYS   2           1HZ      LYS   2   7.746   5.515  16.915
   16    HZ3  LYS   2           2HZ      LYS   2   7.823   3.993  16.308
   17    H    THR   3           H        THR   3  10.621   3.788  10.074
   18    HA   THR   3           HA       THR   3   8.600   1.701  10.150
   19    HB   THR   3           HB       THR   3   9.799   3.135   7.746
   20    HG1  THR   3           HG1      THR   3   8.052   4.551   8.086
   21   HG21  THR   3          3HG2      THR   3   8.460   1.225   7.023
   22   HG22  THR   3          1HG2      THR   3   7.524   2.694   6.759
   23   HG23  THR   3          2HG2      THR   3   7.145   1.651   8.145
   24    H    ARG   4           H        ARG   4   8.598  -0.275   9.204
   25    HA   ARG   4           HA       ARG   4  10.702  -1.208   7.490
   26    HB3  ARG   4           1HB      ARG   4  11.932  -1.734   9.350
   27    HG3  ARG   4           1HG      ARG   4   9.890  -1.895  11.075
   28    HD3  ARG   4           1HD      ARG   4   9.851  -4.311  11.858
   29    HE   ARG   4           HE       ARG   4   8.222  -3.152   9.870
   30   HH11  ARG   4          1HH1      ARG   4   8.929  -6.460  10.945
   31   HH12  ARG   4          2HH1      ARG   4   7.399  -7.072  10.380
   32   HH21  ARG   4          1HH2      ARG   4   6.366  -3.982   9.103
   33   HH22  ARG   4          2HH2      ARG   4   5.989  -5.673   9.255
   34    H    TYR   5           H        TYR   5  10.223  -3.097   6.364
   35    HA   TYR   5           HA       TYR   5   7.341  -3.434   5.882
   36    HB3  TYR   5           1HB      TYR   5   8.581  -4.993   4.049
   37    HD1  TYR   5           HD2      TYR   5   9.285  -1.309   4.561
   38    HD2  TYR   5           HD1      TYR   5   7.161  -4.363   2.430
   39    HE1  TYR   5           HE2      TYR   5   8.394   0.422   2.980
   40    HE2  TYR   5           HE1      TYR   5   6.264  -2.635   0.827
   41    HH   TYR   5           HH       TYR   5   6.479  -0.465   0.098
   42    H    SER   6           H        SER   6   6.332  -5.520   5.540
   43    HA   SER   6           HA       SER   6   7.290  -7.566   7.428
   44    HB3  SER   6           1HB      SER   6   5.001  -8.508   7.221
   45    HG   SER   6           HG       SER   6   3.906  -6.728   8.217
   46    H    ALA   7           H        ALA   7   8.372  -9.257   6.677
   47    HA   ALA   7           HA       ALA   7   7.900 -10.490   4.015
   48    HB1  ALA   7           3HB      ALA   7  10.155 -10.545   5.071
   49    HB2  ALA   7           1HB      ALA   7   9.480 -11.401   6.479
   50    HB3  ALA   7           2HB      ALA   7   9.497 -12.173   4.879
   51    H    GLU   8           H        GLU   8   6.879 -10.698   7.341
   52    HA   GLU   8           HA       GLU   8   5.469 -13.185   7.255
   53    HB3  GLU   8           1HB      GLU   8   6.492 -12.256   9.280
   54    HG3  GLU   8           1HG      GLU   8   4.912 -10.614  10.562
   55    H    ALA   9           H        ALA   9   4.631 -11.255   5.163
   56    HA   ALA   9           HA       ALA   9   1.974 -10.305   5.759
   57    HB1  ALA   9           3HB      ALA   9   3.367 -10.843   3.106
   58    HB2  ALA   9           1HB      ALA   9   1.816 -10.004   3.280
   59    HB3  ALA   9           2HB      ALA   9   3.298  -9.283   3.968
   60    HA   PRO  10           HA       PRO  10  -0.460 -13.974   5.187
   61    HB3  PRO  10           1HB      PRO  10  -2.248 -12.648   5.822
   62    HG3  PRO  10           1HG      PRO  10  -2.549 -10.429   4.887
   63    HD3  PRO  10           1HD      PRO  10  -0.461 -10.593   6.000
   64    H    ALA  11           H        ALA  11  -1.524 -15.363   3.633
   65    HA   ALA  11           HA       ALA  11  -0.696 -15.148   0.804
   66    HB1  ALA  11           3HB      ALA  11  -2.521 -17.123   2.258
   67    HB2  ALA  11           1HB      ALA  11  -1.959 -17.257   0.576
   68    HB3  ALA  11           2HB      ALA  11  -0.798 -17.352   1.913
   69    H    ARG  12           H        ARG  12  -2.332 -14.932  -0.944
   70    HA   ARG  12           HA       ARG  12  -3.966 -12.710  -0.405
   71    HB3  ARG  12           1HB      ARG  12  -4.056 -14.555  -2.830
   72    HG3  ARG  12           1HG      ARG  12  -5.981 -13.121  -2.958
   73    HD3  ARG  12           1HD      ARG  12  -4.154 -10.708  -2.615
   74    HE   ARG  12           HE       ARG  12  -5.965  -9.733  -3.613
   75   HH11  ARG  12          1HH1      ARG  12  -7.266 -12.067  -1.266
   76   HH12  ARG  12          2HH1      ARG  12  -8.915 -11.540  -1.552
   77   HH21  ARG  12          1HH2      ARG  12  -8.124  -9.048  -3.795
   78   HH22  ARG  12          2HH2      ARG  12  -9.350  -9.813  -2.824
   79    H    ASP  13           H        ASP  13  -4.863 -16.115  -0.423
   80    HA   ASP  13           HA       ASP  13  -7.723 -15.719  -0.261
   81    HB3  ASP  13           1HB      ASP  13  -5.988 -18.038   0.676
   82    H    GLU  14           H        GLU  14  -5.122 -15.827   2.157
   83    HA   GLU  14           HA       GLU  14  -6.899 -15.926   4.462
   84    HB3  GLU  14           1HB      GLU  14  -3.947 -15.217   4.222
   85    HG3  GLU  14           1HG      GLU  14  -5.653 -16.062   6.599
   86    H    LEU  15           H        LEU  15  -5.237 -13.404   2.603
   87    HA   LEU  15           HA       LEU  15  -5.991 -11.125   4.172
   88    HB3  LEU  15           1HB      LEU  15  -5.217 -11.452   1.228
   89    HG   LEU  15           HG       LEU  15  -5.550  -9.034   2.999
   90   HD11  LEU  15          1HD1      LEU  15  -3.874  -7.765   1.706
   91   HD12  LEU  15          2HD1      LEU  15  -3.386  -9.261   0.886
   92   HD13  LEU  15          3HD1      LEU  15  -3.126  -9.066   2.628
   93   HD21  LEU  15          3HD2      LEU  15  -7.117  -9.402   1.059
   94   HD22  LEU  15          1HD2      LEU  15  -5.712  -9.347  -0.042
   95   HD23  LEU  15          2HD2      LEU  15  -6.165  -7.930   0.915
   96    H    ASP  16           H        ASP  16  -7.599 -12.919   1.586
   97    HA   ASP  16           HA       ASP  16  -9.562 -11.090   0.812
   98    HB3  ASP  16           1HB      ASP  16 -10.113 -14.065   1.104
   99    H    ARG  17           H        ARG  17  -9.383 -12.880   3.761
  100    HA   ARG  17           HA       ARG  17 -12.186 -12.758   4.542
  101    HB3  ARG  17           1HB      ARG  17 -11.176 -13.573   6.739
  102    HG3  ARG  17           1HG      ARG  17 -10.706 -15.057   4.120
  103    HD3  ARG  17           1HD      ARG  17  -9.903 -15.852   6.929
  104    HE   ARG  17           HE       ARG  17 -10.924 -17.848   6.393
  105   HH11  ARG  17          1HH1      ARG  17  -9.066 -16.860   3.526
  106   HH12  ARG  17          2HH1      ARG  17  -9.050 -18.475   2.880
  107   HH21  ARG  17          1HH2      ARG  17 -10.948 -19.880   5.433
  108   HH22  ARG  17          2HH2      ARG  17 -10.148 -20.123   3.911
  109    H    LEU  18           H        LEU  18  -9.590 -10.431   4.572
  110    HA   LEU  18           HA       LEU  18 -10.482  -9.022   6.936
  111    HB3  LEU  18           1HB      LEU  18  -8.236  -8.789   5.885
  112    HG   LEU  18           HG       LEU  18  -8.944  -8.036   3.506
  113   HD11  LEU  18          1HD1      LEU  18 -10.568  -6.249   3.921
  114   HD12  LEU  18          2HD1      LEU  18  -9.118  -5.522   3.262
  115   HD13  LEU  18          3HD1      LEU  18  -9.420  -5.416   5.004
  116   HD21  LEU  18          3HD2      LEU  18  -6.965  -6.620   3.328
  117   HD22  LEU  18          1HD2      LEU  18  -6.635  -7.883   4.529
  118   HD23  LEU  18          2HD2      LEU  18  -7.025  -6.246   5.066
  119    H    ALA  19           H        ALA  19 -11.518  -6.901   7.050
  120    HA   ALA  19           HA       ALA  19 -13.373  -6.182   4.883
  121    HB1  ALA  19           3HB      ALA  19 -14.506  -8.074   5.919
  122    HB2  ALA  19           1HB      ALA  19 -14.416  -7.296   7.521
  123    HB3  ALA  19           2HB      ALA  19 -15.394  -6.571   6.221
  124    H    GLY  20           H        GLY  20 -11.774  -4.391   5.223
  125    HA2  GLY  20           1HA      GLY  20 -13.245  -2.153   6.187
  126    HA3  GLY  20           2HA      GLY  20 -11.938  -2.480   7.312
  127    HA   PRO  21           HA       PRO  21 -10.503   0.130   3.546
  128    HB3  PRO  21           1HB      PRO  21 -10.505   2.398   4.049
  129    HG3  PRO  21           1HG      PRO  21 -12.730   1.731   4.575
  130    HD3  PRO  21           1HD      PRO  21 -13.170   0.012   6.121
  131    H    THR  22           H        THR  22  -8.631  -0.869   3.066
  132    HA   THR  22           HA       THR  22  -6.310  -0.753   4.934
  133    HB   THR  22           HB       THR  22  -7.246  -3.285   3.532
  134    HG1  THR  22           HG1      THR  22  -8.538  -2.797   5.294
  135   HG21  THR  22          3HG2      THR  22  -4.779  -3.182   3.811
  136   HG22  THR  22          1HG2      THR  22  -5.480  -4.351   4.929
  137   HG23  THR  22          2HG2      THR  22  -4.981  -2.762   5.524
  138    H    LEU  23           H        LEU  23  -4.754   0.239   3.829
  139    HA   LEU  23           HA       LEU  23  -4.510  -0.128   0.913
  140    HB3  LEU  23           1HB      LEU  23  -2.907   1.535   2.900
  141    HG   LEU  23           HG       LEU  23  -1.556   1.072   0.865
  142   HD11  LEU  23          1HD1      LEU  23  -2.931   0.473  -0.844
  143   HD12  LEU  23          2HD1      LEU  23  -2.661   2.159  -1.312
  144   HD13  LEU  23          3HD1      LEU  23  -4.150   1.711  -0.481
  145   HD21  LEU  23          3HD2      LEU  23  -1.191   3.375   0.138
  146   HD22  LEU  23          1HD2      LEU  23  -1.424   3.286   1.888
  147   HD23  LEU  23          2HD2      LEU  23  -2.751   3.852   0.843
  148    H    VAL  24           H        VAL  24  -3.295  -1.702   0.069
  149    HA   VAL  24           HA       VAL  24  -1.246  -3.064   1.770
  150    HB   VAL  24           HB       VAL  24  -2.538  -4.134  -0.781
  151   HG11  VAL  24          1HG1      VAL  24  -0.308  -5.077  -0.193
  152   HG12  VAL  24          2HG1      VAL  24  -0.934  -5.527   1.410
  153   HG13  VAL  24          3HG1      VAL  24  -1.596  -6.278  -0.055
  154   HG21  VAL  24          3HG2      VAL  24  -4.300  -3.937   0.931
  155   HG22  VAL  24          1HG2      VAL  24  -3.864  -5.624   0.671
  156   HG23  VAL  24          2HG2      VAL  24  -3.257  -4.780   2.113
  157    H    GLU  25           H        GLU  25   0.723  -2.389   1.471
  158    HA   GLU  25           HA       GLU  25   1.548  -1.108  -1.078
  159    HB3  GLU  25           1HB      GLU  25   2.283  -0.765   1.838
  160    HG3  GLU  25           1HG      GLU  25   3.994  -0.010  -0.519
  161    H    PHE  26           H        PHE  26   3.098  -1.935  -2.312
  162    HA   PHE  26           HA       PHE  26   4.593  -4.323  -1.367
  163    HB3  PHE  26           1HB      PHE  26   4.698  -4.922  -3.741
  164    HD1  PHE  26           HD2      PHE  26   3.512  -6.683  -2.363
  165    HD2  PHE  26           HD1      PHE  26   1.448  -3.285  -4.010
  166    HE1  PHE  26           HE2      PHE  26   1.337  -7.777  -1.895
  167    HE2  PHE  26           HE1      PHE  26  -0.736  -4.398  -3.567
  168    HZ   PHE  26           HZ       PHE  26  -0.779  -6.617  -2.444
  169    H    GLY  27           H        GLY  27   6.755  -4.397  -1.440
  170    HA2  GLY  27           1HA      GLY  27   8.671  -3.139  -2.902
  171    HA3  GLY  27           2HA      GLY  27   8.238  -1.902  -1.730
  172    H    THR  28           H        THR  28  10.274  -2.007  -0.685
  173    HA   THR  28           HA       THR  28  10.436  -4.056   1.416
  174    HB   THR  28           HB       THR  28  12.871  -4.288   1.234
  175    HG1  THR  28           HG1      THR  28  13.831  -3.566  -0.769
  176   HG21  THR  28          3HG2      THR  28  11.422  -5.968   0.135
  177   HG22  THR  28          1HG2      THR  28  12.984  -5.786  -0.672
  178   HG23  THR  28          2HG2      THR  28  11.534  -5.065  -1.375
  179    H    ASP  29           H        ASP  29  12.322  -3.265   3.008
  180    HA   ASP  29           HA       ASP  29  11.582  -0.482   3.680
  181    HB3  ASP  29           1HB      ASP  29  11.615  -2.141   5.446
  182    H    TRP  30           H        TRP  30  13.881  -1.861   1.690
  183    HA   TRP  30           HA       TRP  30  15.974   0.186   2.277
  184    HB3  TRP  30           1HB      TRP  30  16.653  -1.904   3.110
  185    HD1  TRP  30           HD       TRP  30  15.351  -4.076   3.364
  186    HE1  TRP  30           HE1      TRP  30  14.944  -6.158   1.919
  187    HE3  TRP  30           HE3      TRP  30  17.181  -2.318  -1.075
  188    HZ2  TRP  30           HZ2      TRP  30  15.332  -6.941  -0.840
  189    HZ3  TRP  30           HZ3      TRP  30  17.169  -3.745  -3.089
  190    HH2  TRP  30           HH       TRP  30  16.246  -6.066  -2.995
  191    H    CYS  31           H        CYS  31  14.037  -0.999  -0.423
  192    HA   CYS  31           HA       CYS  31  15.930  -0.297  -2.476
  193    HB2  CYS  31           1HB      CYS  31  13.978  -1.760  -2.865
  194    HB3  CYS  31           2HB      CYS  31  12.895  -0.380  -2.612
  195    H    GLY  32           H        GLY  32  16.113   1.552  -3.751
  196    HA2  GLY  32           1HA      GLY  32  15.847   4.131  -2.502
  197    HA3  GLY  32           2HA      GLY  32  16.327   3.821  -4.174
  198    H    HIS  33           H        HIS  33  13.749   2.386  -4.788
  199    HA   HIS  33           HA       HIS  33  11.954   4.627  -5.324
  200    HB2  HIS  33           1HB      HIS  33  11.754   1.589  -5.442
  201    HB3  HIS  33           2HB      HIS  33  10.312   2.580  -5.550
  202    HD1  HIS  33           HD1      HIS  33  11.687   0.767  -7.960
  203    HD2  HIS  33           HD2      HIS  33  11.314   4.912  -7.464
  204    HE1  HIS  33           HE1      HIS  33  11.532   1.748 -10.308
  205    H    CYS  34           H        CYS  34  11.993   2.018  -2.840
  206    HA   CYS  34           HA       CYS  34   9.678   2.958  -1.448
  207    HB3  CYS  34           1HB      CYS  34  10.979   1.692   0.482
  208    HG   CYS  34           HG       CYS  34   9.780  -0.404  -0.006
  209    H    GLN  35           H        GLN  35  13.114   3.905  -1.085
  210    HA   GLN  35           HA       GLN  35  12.654   5.342   1.354
  211    HB3  GLN  35           1HB      GLN  35  14.768   6.477   0.948
  212    HG3  GLN  35           1HG      GLN  35  16.312   4.749   0.706
  213   HE21  GLN  35          2HE2      GLN  35  14.108   2.168   0.583
  214   HE22  GLN  35          1HE2      GLN  35  14.031   1.921   2.343
  215    H    ALA  36           H        ALA  36  11.909   6.144  -1.902
  216    HA   ALA  36           HA       ALA  36  11.364   9.016  -1.380
  217    HB1  ALA  36           3HB      ALA  36  10.926   7.307  -3.868
  218    HB2  ALA  36           1HB      ALA  36  10.797   9.069  -3.761
  219    HB3  ALA  36           2HB      ALA  36  12.370   8.289  -3.523
  220    H    ALA  37           H        ALA  37   9.512   5.982  -1.955
  221    HA   ALA  37           HA       ALA  37   6.944   7.380  -1.863
  222    HB1  ALA  37           3HB      ALA  37   7.317   5.408  -3.277
  223    HB2  ALA  37           1HB      ALA  37   7.589   4.407  -1.818
  224    HB3  ALA  37           2HB      ALA  37   5.991   5.165  -2.120
  225    H    GLN  38           H        GLN  38   8.902   5.612   0.525
  226    HA   GLN  38           HA       GLN  38   6.947   5.180   2.520
  227    HB3  GLN  38           1HB      GLN  38   9.037   5.509   4.076
  228    HG3  GLN  38           1HG      GLN  38   8.972   3.360   1.910
  229   HE21  GLN  38          2HE2      GLN  38  10.300   1.387   2.428
  230   HE22  GLN  38          1HE2      GLN  38  11.689   1.616   3.486
  231    HA   PRO  39           HA       PRO  39   7.688   9.479   4.467
  232    HB3  PRO  39           1HB      PRO  39   9.820  10.267   4.194
  233    HG3  PRO  39           1HG      PRO  39  11.000   9.989   2.118
  234    HD3  PRO  39           1HD      PRO  39  10.323   7.849   2.878
  235    H    LEU  40           H        LEU  40   6.979   9.005   1.085
  236    HA   LEU  40           HA       LEU  40   5.224  11.282   0.691
  237    HB3  LEU  40           1HB      LEU  40   4.565   8.776  -0.781
  238    HG   LEU  40           HG       LEU  40   4.759   9.931  -2.729
  239   HD11  LEU  40          1HD1      LEU  40   4.002  12.299  -1.012
  240   HD12  LEU  40          2HD1      LEU  40   2.979  10.863  -1.069
  241   HD13  LEU  40          3HD1      LEU  40   3.326  11.734  -2.561
  242   HD21  LEU  40          3HD2      LEU  40   5.913  12.058  -3.110
  243   HD22  LEU  40          1HD2      LEU  40   7.011  10.801  -2.516
  244   HD23  LEU  40          2HD2      LEU  40   6.448  12.076  -1.405
  245    H    LEU  41           H        LEU  41   4.676   7.810   1.375
  246    HA   LEU  41           HA       LEU  41   1.888   7.966   1.926
  247    HB3  LEU  41           1HB      LEU  41   2.506   5.861   3.404
  248    HG   LEU  41           HG       LEU  41   2.294   4.378   1.623
  249   HD11  LEU  41          1HD1      LEU  41   0.346   5.079   0.445
  250   HD12  LEU  41          2HD1      LEU  41   0.702   6.789   0.702
  251   HD13  LEU  41          3HD1      LEU  41   0.288   5.767   2.083
  252   HD21  LEU  41          3HD2      LEU  41   4.056   5.073   0.185
  253   HD22  LEU  41          1HD2      LEU  41   3.271   6.594  -0.183
  254   HD23  LEU  41          2HD2      LEU  41   2.560   5.065  -0.766
  255    H    ALA  42           H        ALA  42   4.704   8.167   4.098
  256    HA   ALA  42           HA       ALA  42   3.325   8.513   6.539
  257    HB1  ALA  42           3HB      ALA  42   5.402   9.473   7.360
  258    HB2  ALA  42           1HB      ALA  42   5.791   8.159   6.238
  259    HB3  ALA  42           2HB      ALA  42   5.924   9.863   5.715
  260    H    GLU  43           H        GLU  43   4.048  11.030   4.091
  261    HA   GLU  43           HA       GLU  43   3.036  13.224   5.699
  262    HB3  GLU  43           1HB      GLU  43   2.964  14.385   3.395
  263    HG3  GLU  43           1HG      GLU  43   5.519  14.267   3.163
  264    H    VAL  44           H        VAL  44   1.562  11.265   3.042
  265    HA   VAL  44           HA       VAL  44  -0.950  12.675   3.194
  266    HB   VAL  44           HB       VAL  44  -0.532  11.621   1.174
  267   HG11  VAL  44          1HG1      VAL  44  -0.280   9.317   0.725
  268   HG12  VAL  44          2HG1      VAL  44   0.959   9.846   1.819
  269   HG13  VAL  44          3HG1      VAL  44  -0.400   8.884   2.455
  270   HG21  VAL  44          3HG2      VAL  44  -2.483  10.261   0.772
  271   HG22  VAL  44          1HG2      VAL  44  -2.622   9.852   2.497
  272   HG23  VAL  44          2HG2      VAL  44  -2.928  11.499   1.958
  273    H    PHE  45           H        PHE  45   0.072   9.555   4.624
  274    HA   PHE  45           HA       PHE  45  -2.398   8.842   5.768
  275    HB3  PHE  45           1HB      PHE  45  -0.295   7.850   7.464
  276    HD1  PHE  45           HD1      PHE  45  -2.816   6.999   7.697
  277    HD2  PHE  45           HD2      PHE  45  -0.076   5.853   4.568
  278    HE1  PHE  45           HE1      PHE  45  -4.136   4.989   7.281
  279    HE2  PHE  45           HE2      PHE  45  -1.371   3.778   4.195
  280    HZ   PHE  45           HZ       PHE  45  -3.428   3.337   5.525
  281    H    SER  46           H        SER  46  -0.125  11.199   6.971
  282    HA   SER  46           HA       SER  46  -0.900  11.250   9.727
  283    HB3  SER  46           1HB      SER  46  -0.082  13.617   9.632
  284    HG   SER  46           HG       SER  46   1.701  11.832   8.290
  285    H    ASP  47           H        ASP  47  -2.717  12.244   6.910
  286    HA   ASP  47           HA       ASP  47  -4.675  13.721   8.611
  287    HB3  ASP  47           1HB      ASP  47  -4.654  13.524   5.591
  288    H    TYR  48           H        TYR  48  -4.216  10.605   7.406
  289    HA   TYR  48           HA       TYR  48  -7.129   9.951   7.583
  290    HB3  TYR  48           1HB      TYR  48  -7.007   8.467   5.709
  291    HD1  TYR  48           HD2      TYR  48  -8.509  10.505   5.300
  292    HD2  TYR  48           HD1      TYR  48  -4.349  10.376   4.233
  293    HE1  TYR  48           HE2      TYR  48  -8.843  12.458   3.783
  294    HE2  TYR  48           HE1      TYR  48  -4.645  12.425   2.823
  295    HH   TYR  48           HH       TYR  48  -6.098  13.992   2.036
  296    HA   PRO  49           HA       PRO  49  -4.163   7.107  10.050
  297    HB3  PRO  49           1HB      PRO  49  -3.669   8.574  11.740
  298    HG3  PRO  49           1HG      PRO  49  -5.196  10.308  12.372
  299    HD3  PRO  49           1HD      PRO  49  -4.746  10.486  10.045
  300    H    GLU  50           H        GLU  50  -7.654   7.517   9.963
  301    HA   GLU  50           HA       GLU  50  -8.267   5.045  11.353
  302    HB3  GLU  50           1HB      GLU  50  -9.874   6.828  11.304
  303    HG3  GLU  50           1HG      GLU  50 -11.325   6.763   9.118
  304    H    VAL  51           H        VAL  51  -6.983   5.638   8.197
  305    HA   VAL  51           HA       VAL  51  -8.074   3.146   7.014
  306    HB   VAL  51           HB       VAL  51  -5.926   5.026   5.964
  307   HG11  VAL  51          1HG1      VAL  51  -7.444   2.754   4.593
  308   HG12  VAL  51          2HG1      VAL  51  -6.396   3.925   3.760
  309   HG13  VAL  51          3HG1      VAL  51  -5.693   2.813   4.928
  310   HG21  VAL  51          3HG2      VAL  51  -8.877   4.803   5.257
  311   HG22  VAL  51          1HG2      VAL  51  -8.103   6.165   6.099
  312   HG23  VAL  51          2HG2      VAL  51  -7.685   5.822   4.418
  313    H    GLY  52           H        GLY  52  -6.859   1.197   6.775
  314    HA2  GLY  52           1HA      GLY  52  -4.608   0.771   8.650
  315    HA3  GLY  52           2HA      GLY  52  -5.478  -0.460   7.711
  316    H    HIS  53           H        HIS  53  -2.550  -0.139   7.963
  317    HA   HIS  53           HA       HIS  53  -1.989  -0.058   5.036
  318    HB2  HIS  53           1HB      HIS  53  -1.265   2.093   6.314
  319    HB3  HIS  53           2HB      HIS  53  -0.027   1.094   7.044
  320    HD1  HIS  53           HD1      HIS  53   1.933   2.477   5.751
  321    HD2  HIS  53           HD2      HIS  53  -0.942   0.654   3.291
  322    HE1  HIS  53           HE1      HIS  53   2.798   2.621   3.322
  323    H    LEU  54           H        LEU  54  -1.090  -1.895   4.359
  324    HA   LEU  54           HA       LEU  54   0.495  -3.576   6.257
  325    HB3  LEU  54           1HB      LEU  54  -0.804  -4.568   3.700
  326    HG   LEU  54           HG       LEU  54  -0.647  -5.961   6.398
  327   HD11  LEU  54          1HD1      LEU  54  -2.301  -6.748   4.713
  328   HD12  LEU  54          2HD1      LEU  54  -1.073  -7.963   5.083
  329   HD13  LEU  54          3HD1      LEU  54  -0.973  -7.038   3.560
  330   HD21  LEU  54          3HD2      LEU  54   1.241  -7.342   5.468
  331   HD22  LEU  54          1HD2      LEU  54   1.688  -5.688   5.867
  332   HD23  LEU  54          2HD2      LEU  54   1.424  -6.142   4.164
  333    H    LYS  55           H        LYS  55   2.624  -3.233   5.916
  334    HA   LYS  55           HA       LYS  55   3.688  -2.541   3.237
  335    HB3  LYS  55           1HB      LYS  55   5.845  -2.572   4.418
  336    HG3  LYS  55           1HG      LYS  55   4.359  -0.488   4.300
  337    HD3  LYS  55           1HD      LYS  55   2.918  -0.834   6.276
  338    HE3  LYS  55           1HE      LYS  55   5.538  -0.787   7.849
  339    HZ1  LYS  55           3HZ      LYS  55   4.073  -0.920   9.781
  340    HZ2  LYS  55           1HZ      LYS  55   2.734  -0.797   8.862
  341    HZ3  LYS  55           2HZ      LYS  55   3.770   0.465   8.963
  342    H    VAL  56           H        VAL  56   3.651  -4.265   1.865
  343    HA   VAL  56           HA       VAL  56   4.452  -7.006   2.764
  344    HB   VAL  56           HB       VAL  56   3.415  -6.022   0.058
  345   HG11  VAL  56          1HG1      VAL  56   3.004  -8.391  -0.414
  346   HG12  VAL  56          2HG1      VAL  56   4.712  -8.134  -0.112
  347   HG13  VAL  56          3HG1      VAL  56   3.695  -8.860   1.163
  348   HG21  VAL  56          3HG2      VAL  56   1.259  -7.009   0.625
  349   HG22  VAL  56          1HG2      VAL  56   1.858  -7.461   2.234
  350   HG23  VAL  56          2HG2      VAL  56   1.653  -5.750   1.789
  351    H    GLU  57           H        GLU  57   6.375  -7.582   2.735
  352    HA   GLU  57           HA       GLU  57   8.429  -6.290   1.186
  353    HB3  GLU  57           1HB      GLU  57   8.592  -8.951   2.612
  354    HG3  GLU  57           1HG      GLU  57  10.606  -6.725   2.405
  355    H    ASP  58           H        ASP  58   8.994  -6.773  -0.884
  356    HA   ASP  58           HA       ASP  58   8.161  -9.380  -2.120
  357    HB3  ASP  58           1HB      ASP  58   8.512  -6.682  -3.480
  358    H    GLY  59           H        GLY  59   9.624 -10.449  -3.454
  359    HA2  GLY  59           1HA      GLY  59  12.436  -9.492  -3.667
  360    HA3  GLY  59           2HA      GLY  59  12.110 -10.994  -2.804
  361    HA   PRO  60           HA       PRO  60  12.701 -12.022  -7.330
  362    HB3  PRO  60           1HB      PRO  60  14.993 -12.174  -7.119
  363    HG3  PRO  60           1HG      PRO  60  16.026 -12.753  -5.046
  364    HD3  PRO  60           1HD      PRO  60  14.616 -10.901  -4.571
  365    H    GLY  61           H        GLY  61  12.188 -13.984  -4.407
  366    HA2  GLY  61           1HA      GLY  61  10.764 -16.136  -5.873
  367    HA3  GLY  61           2HA      GLY  61  10.982 -15.983  -4.109
  368    H    ARG  62           H        ARG  62   8.575 -16.414  -5.881
  369    HA   ARG  62           HA       ARG  62   6.966 -14.096  -5.969
  370    HB3  ARG  62           1HB      ARG  62   6.534 -16.076  -7.328
  371    HG3  ARG  62           1HG      ARG  62   5.466 -17.376  -4.776
  372    HD3  ARG  62           1HD      ARG  62   4.978 -19.316  -6.229
  373    HE   ARG  62           HE       ARG  62   3.404 -17.425  -7.728
  374   HH11  ARG  62          1HH1      ARG  62   3.729 -18.733  -4.449
  375   HH12  ARG  62          2HH1      ARG  62   2.097 -18.319  -4.031
  376   HH21  ARG  62          1HH2      ARG  62   1.330 -16.857  -7.086
  377   HH22  ARG  62          2HH2      ARG  62   0.764 -17.274  -5.502
  378    H    ARG  63           H        ARG  63   5.194 -13.358  -4.799
  379    HA   ARG  63           HA       ARG  63   4.261 -14.477  -2.357
  380    HB3  ARG  63           1HB      ARG  63   5.772 -11.844  -2.047
  381    HG3  ARG  63           1HG      ARG  63   4.204 -13.621  -0.200
  382    HD3  ARG  63           1HD      ARG  63   6.411 -14.034   0.699
  383    HE   ARG  63           HE       ARG  63   6.835 -11.124   0.366
  384   HH11  ARG  63          1HH1      ARG  63   7.988 -13.902   2.269
  385   HH12  ARG  63          2HH1      ARG  63   9.567 -13.185   2.449
  386   HH21  ARG  63          1HH2      ARG  63   8.768 -10.333   0.648
  387   HH22  ARG  63          2HH2      ARG  63   9.986 -11.066   1.667
  388    H    LEU  64           H        LEU  64   2.877 -12.477  -1.345
  389    HA   LEU  64           HA       LEU  64   0.529 -12.263  -2.580
  390    HB3  LEU  64           1HB      LEU  64   1.899 -10.163  -0.904
  391    HG   LEU  64           HG       LEU  64  -0.385  -9.413  -1.453
  392   HD11  LEU  64          1HD1      LEU  64  -1.544 -11.429  -2.042
  393   HD12  LEU  64          2HD1      LEU  64  -2.332 -10.860  -0.571
  394   HD13  LEU  64          3HD1      LEU  64  -1.169 -12.187  -0.473
  395   HD21  LEU  64          3HD2      LEU  64  -1.120  -9.032   0.795
  396   HD22  LEU  64          1HD2      LEU  64   0.641  -9.160   0.869
  397   HD23  LEU  64          2HD2      LEU  64  -0.347 -10.534   1.371
  398    H    GLY  65           H        GLY  65   3.085  -9.781  -3.314
  399    HA2  GLY  65           1HA      GLY  65   1.434  -8.032  -4.811
  400    HA3  GLY  65           2HA      GLY  65   3.186  -8.192  -5.010
  401    H    ARG  66           H        ARG  66   2.867 -11.092  -5.852
  402    HA   ARG  66           HA       ARG  66   2.343 -10.710  -8.693
  403    HB3  ARG  66           1HB      ARG  66   2.775 -13.247  -7.056
  404    HG3  ARG  66           1HG      ARG  66   2.907 -12.693 -10.059
  405    HD3  ARG  66           1HD      ARG  66   3.838 -15.103  -8.437
  406    HE   ARG  66           HE       ARG  66   2.651 -15.232 -10.929
  407   HH11  ARG  66          1HH1      ARG  66   5.941 -15.932  -9.830
  408   HH12  ARG  66          2HH1      ARG  66   6.148 -17.211 -10.988
  409   HH21  ARG  66          1HH2      ARG  66   3.002 -16.850 -12.426
  410   HH22  ARG  66          2HH2      ARG  66   4.512 -17.704 -12.455
  411    H    SER  67           H        SER  67   0.529 -12.091  -5.939
  412    HA   SER  67           HA       SER  67  -1.741 -13.019  -7.519
  413    HB3  SER  67           1HB      SER  67  -2.725 -13.480  -5.357
  414    HG   SER  67           HG       SER  67  -1.088 -14.779  -4.458
  415    H    PHE  68           H        PHE  68  -0.822  -9.944  -6.063
  416    HA   PHE  68           HA       PHE  68  -3.446  -8.703  -6.544
  417    HB3  PHE  68           1HB      PHE  68  -1.761  -6.624  -6.232
  418    HD1  PHE  68           HD1      PHE  68  -1.685  -9.186  -3.530
  419    HD2  PHE  68           HD2      PHE  68  -3.670  -5.772  -5.181
  420    HE1  PHE  68           HE1      PHE  68  -2.927  -8.909  -1.405
  421    HE2  PHE  68           HE2      PHE  68  -4.947  -5.475  -3.045
  422    HZ   PHE  68           HZ       PHE  68  -4.550  -7.028  -1.155
  423    H    GLN  69           H        GLN  69  -0.788  -9.587  -8.508
  424    HA   GLN  69           HA       GLN  69  -0.072  -9.107 -10.588
  425    HB3  GLN  69           1HB      GLN  69  -1.627  -8.457 -12.300
  426    HG3  GLN  69           1HG      GLN  69  -1.728 -10.833 -11.205
  427   HE21  GLN  69          2HE2      GLN  69  -4.062  -8.684  -9.711
  428   HE22  GLN  69          1HE2      GLN  69  -5.110  -9.983  -9.165
  429    H    VAL  70           H        VAL  70   0.842  -7.373  -8.728
  430    HA   VAL  70           HA       VAL  70   0.433  -4.622  -9.046
  431    HB   VAL  70           HB       VAL  70   2.775  -6.300  -8.153
  432   HG11  VAL  70          1HG1      VAL  70   3.959  -4.375  -8.976
  433   HG12  VAL  70          2HG1      VAL  70   2.738  -3.266  -8.309
  434   HG13  VAL  70          3HG1      VAL  70   3.824  -4.186  -7.234
  435   HG21  VAL  70          3HG2      VAL  70   2.170  -5.450  -5.977
  436   HG22  VAL  70          1HG2      VAL  70   0.992  -4.309  -6.666
  437   HG23  VAL  70          2HG2      VAL  70   0.703  -6.061  -6.746
  438    H    LYS  71           H        LYS  71   1.092  -3.028 -10.344
  439    HA   LYS  71           HA       LYS  71   2.074  -3.608 -13.030
  440    HB3  LYS  71           1HB      LYS  71   1.758  -1.192 -13.358
  441    HG3  LYS  71           1HG      LYS  71  -0.559  -0.887 -12.942
  442    HD3  LYS  71           1HD      LYS  71   0.214  -2.668 -14.709
  443    HE3  LYS  71           1HE      LYS  71  -1.376  -4.360 -12.714
  444    HZ1  LYS  71           3HZ      LYS  71  -1.873  -4.901 -15.031
  445    HZ2  LYS  71           1HZ      LYS  71  -1.013  -6.109 -14.341
  446    HZ3  LYS  71           2HZ      LYS  71  -0.284  -5.080 -15.378
  447    H    LEU  72           H        LEU  72   3.325  -0.679 -11.690
  448    HA   LEU  72           HA       LEU  72   6.115  -1.514 -12.037
  449    HB3  LEU  72           1HB      LEU  72   5.212   1.010 -10.616
  450    HG   LEU  72           HG       LEU  72   7.707   0.321 -10.928
  451   HD11  LEU  72          1HD1      LEU  72   7.094   1.194 -13.789
  452   HD12  LEU  72          2HD1      LEU  72   7.540  -0.457 -13.281
  453   HD13  LEU  72          3HD1      LEU  72   8.701   0.865 -13.121
  454   HD21  LEU  72          3HD2      LEU  72   6.745   3.001 -11.988
  455   HD22  LEU  72          1HD2      LEU  72   8.395   2.627 -11.430
  456   HD23  LEU  72          2HD2      LEU  72   7.064   2.566 -10.287
  457    H    TRP  73           H        TRP  73   7.569  -1.726 -10.268
  458    HA   TRP  73           HA       TRP  73   6.562  -3.412  -8.261
  459    HB3  TRP  73           1HB      TRP  73   9.151  -1.897  -8.250
  460    HD1  TRP  73           HD       TRP  73   8.371  -5.645  -7.891
  461    HE1  TRP  73           HE1      TRP  73   9.411  -6.499  -5.729
  462    HE3  TRP  73           HE3      TRP  73  10.015  -1.180  -6.030
  463    HZ2  TRP  73           HZ2      TRP  73  11.010  -5.397  -3.546
  464    HZ3  TRP  73           HZ3      TRP  73  11.259  -1.094  -3.880
  465    HH2  TRP  73           HH       TRP  73  11.829  -3.189  -2.682
  466    HA   PRO  74           HA       PRO  74   6.548  -0.053  -4.976
  467    HB3  PRO  74           1HB      PRO  74   8.289   1.453  -5.224
  468    HG3  PRO  74           1HG      PRO  74   8.775   2.440  -7.370
  469    HD3  PRO  74           1HD      PRO  74   8.941   0.130  -7.679
  470    H    THR  75           H        THR  75   4.397  -0.712  -5.168
  471    HA   THR  75           HA       THR  75   2.392   1.264  -6.155
  472    HB   THR  75           HB       THR  75   2.594  -1.686  -6.846
  473    HG1  THR  75           HG1      THR  75   3.385  -0.671  -8.494
  474   HG21  THR  75          3HG2      THR  75   0.150   0.092  -7.211
  475   HG22  THR  75          1HG2      THR  75   0.241  -1.407  -6.257
  476   HG23  THR  75          2HG2      THR  75   0.403  -1.477  -8.015
  477    H    PHE  76           H        PHE  76   0.517   1.254  -5.031
  478    HA   PHE  76           HA       PHE  76   0.180  -0.706  -2.852
  479    HB3  PHE  76           1HB      PHE  76   1.024   0.892  -1.446
  480    HD1  PHE  76           HD2      PHE  76   2.784   2.014  -2.753
  481    HD2  PHE  76           HD1      PHE  76  -1.245   3.518  -2.382
  482    HE1  PHE  76           HE2      PHE  76   3.541   4.237  -3.559
  483    HE2  PHE  76           HE1      PHE  76  -0.480   5.725  -3.133
  484    HZ   PHE  76           HZ       PHE  76   1.895   6.070  -3.818
  485    H    VAL  77           H        VAL  77  -1.745  -1.440  -2.635
  486    HA   VAL  77           HA       VAL  77  -3.882  -0.478  -4.485
  487    HB   VAL  77           HB       VAL  77  -3.431  -3.260  -3.348
  488   HG11  VAL  77          1HG1      VAL  77  -5.263  -2.398  -5.632
  489   HG12  VAL  77          2HG1      VAL  77  -5.126  -4.013  -4.937
  490   HG13  VAL  77          3HG1      VAL  77  -5.816  -2.695  -3.980
  491   HG21  VAL  77          3HG2      VAL  77  -1.619  -2.724  -4.910
  492   HG22  VAL  77          1HG2      VAL  77  -2.725  -3.864  -5.680
  493   HG23  VAL  77          2HG2      VAL  77  -2.767  -2.158  -6.127
  494    H    PHE  78           H        PHE  78  -5.719   0.295  -3.649
  495    HA   PHE  78           HA       PHE  78  -6.077   0.317  -0.713
  496    HB3  PHE  78           1HB      PHE  78  -7.860   1.961  -1.224
  497    HD1  PHE  78           HD2      PHE  78  -5.100   2.400  -3.738
  498    HD2  PHE  78           HD1      PHE  78  -6.675   3.623   0.102
  499    HE1  PHE  78           HE2      PHE  78  -3.309   4.081  -3.521
  500    HE2  PHE  78           HE1      PHE  78  -4.904   5.370   0.243
  501    HZ   PHE  78           HZ       PHE  78  -3.261   5.611  -1.615
  502    H    LEU  79           H        LEU  79  -7.239  -1.258   0.171
  503    HA   LEU  79           HA       LEU  79  -9.431  -2.581  -1.342
  504    HB3  LEU  79           1HB      LEU  79  -9.041  -4.211   0.751
  505    HG   LEU  79           HG       LEU  79  -8.995  -4.930  -1.540
  506   HD11  LEU  79          1HD1      LEU  79  -6.997  -4.952  -2.895
  507   HD12  LEU  79          2HD1      LEU  79  -6.089  -4.048  -1.629
  508   HD13  LEU  79          3HD1      LEU  79  -7.415  -3.293  -2.525
  509   HD21  LEU  79          3HD2      LEU  79  -8.288  -6.441   0.245
  510   HD22  LEU  79          1HD2      LEU  79  -6.612  -5.859   0.060
  511   HD23  LEU  79          2HD2      LEU  79  -7.393  -6.767  -1.259
  512    H    ARG  80           H        ARG  80 -11.359  -3.008  -0.269
  513    HA   ARG  80           HA       ARG  80 -11.955  -2.075   2.401
  514    HB3  ARG  80           1HB      ARG  80 -13.482  -0.751   0.126
  515    HG3  ARG  80           1HG      ARG  80 -13.263  -0.189   3.112
  516    HD3  ARG  80           1HD      ARG  80 -14.646   1.426   0.917
  517    HE   ARG  80           HE       ARG  80 -15.618   1.284   3.380
  518   HH11  ARG  80          1HH1      ARG  80 -13.665   3.969   2.054
  519   HH12  ARG  80          2HH1      ARG  80 -14.354   5.090   3.177
  520   HH21  ARG  80          1HH2      ARG  80 -16.450   2.821   4.753
  521   HH22  ARG  80          2HH2      ARG  80 -15.899   4.462   4.659
  522    H    ASP  81           H        ASP  81 -13.538  -3.349   3.226
  523    HA   ASP  81           HA       ASP  81 -14.798  -5.213   3.469
  524    HB3  ASP  81           1HB      ASP  81 -15.965  -4.667   0.724
  525    H    GLY  82           H        GLY  82 -12.135  -5.438   2.141
  526    HA2  GLY  82           1HA      GLY  82 -10.784  -7.234   1.531
  527    HA3  GLY  82           2HA      GLY  82 -12.223  -8.251   1.320
  528    H    ARG  83           H        ARG  83 -12.895  -5.587  -0.515
  529    HA   ARG  83           HA       ARG  83 -11.867  -6.808  -3.030
  530    HB3  ARG  83           1HB      ARG  83 -14.197  -4.904  -2.459
  531    HG3  ARG  83           1HG      ARG  83 -13.354  -6.326  -5.035
  532    HD3  ARG  83           1HD      ARG  83 -15.315  -5.072  -6.017
  533    HE   ARG  83           HE       ARG  83 -16.615  -6.826  -4.059
  534   HH11  ARG  83          1HH1      ARG  83 -14.766  -6.816  -7.079
  535   HH12  ARG  83          2HH1      ARG  83 -15.256  -8.438  -7.485
  536   HH21  ARG  83          1HH2      ARG  83 -17.260  -8.880  -4.686
  537   HH22  ARG  83          2HH2      ARG  83 -16.680  -9.564  -6.176
  538    H    GLU  84           H        GLU  84 -10.708  -5.579  -4.422
  539    HA   GLU  84           HA       GLU  84  -9.319  -3.181  -3.557
  540    HB3  GLU  84           1HB      GLU  84  -9.547  -4.595  -6.230
  541    HG3  GLU  84           1HG      GLU  84  -7.724  -2.261  -5.577
  542    H    VAL  85           H        VAL  85 -10.065  -1.205  -3.475
  543    HA   VAL  85           HA       VAL  85 -12.426  -0.348  -5.110
  544    HB   VAL  85           HB       VAL  85 -12.396   1.686  -3.662
  545   HG11  VAL  85          1HG1      VAL  85 -12.757  -0.975  -2.228
  546   HG12  VAL  85          2HG1      VAL  85 -13.514   0.587  -1.801
  547   HG13  VAL  85          3HG1      VAL  85 -13.936  -0.217  -3.323
  548   HG21  VAL  85          3HG2      VAL  85 -11.246   1.729  -1.549
  549   HG22  VAL  85          1HG2      VAL  85 -10.601   0.111  -1.779
  550   HG23  VAL  85          2HG2      VAL  85 -10.014   1.444  -2.788
  551    H    ALA  86           H        ALA  86  -8.982   0.043  -4.844
  552    HA   ALA  86           HA       ALA  86  -8.687   1.458  -7.319
  553    HB1  ALA  86           3HB      ALA  86  -9.453   3.403  -6.025
  554    HB2  ALA  86           1HB      ALA  86  -8.335   2.982  -4.702
  555    HB3  ALA  86           2HB      ALA  86  -7.718   3.563  -6.255
  556    H    ARG  87           H        ARG  87  -6.336   2.303  -7.452
  557    HA   ARG  87           HA       ARG  87  -4.483   1.405  -5.451
  558    HB3  ARG  87           1HB      ARG  87  -4.507  -0.664  -6.642
  559    HG3  ARG  87           1HG      ARG  87  -4.009   0.977  -9.148
  560    HD3  ARG  87           1HD      ARG  87  -3.366  -1.918  -8.534
  561    HE   ARG  87           HE       ARG  87  -4.194  -2.356 -10.621
  562   HH11  ARG  87          1HH1      ARG  87  -2.577   0.777 -10.910
  563   HH12  ARG  87          2HH1      ARG  87  -2.822   0.838 -12.631
  564   HH21  ARG  87          1HH2      ARG  87  -4.462  -2.218 -12.823
  565   HH22  ARG  87          2HH2      ARG  87  -3.894  -0.827 -13.692
  566    H    VAL  88           H        VAL  88  -2.452   2.367  -5.658
  567    HA   VAL  88           HA       VAL  88  -2.185   4.518  -7.762
  568    HB   VAL  88           HB       VAL  88  -1.441   4.596  -4.844
  569   HG11  VAL  88          1HG1      VAL  88  -0.715   6.614  -7.036
  570   HG12  VAL  88          2HG1      VAL  88  -0.498   6.896  -5.298
  571   HG13  VAL  88          3HG1      VAL  88   0.437   5.636  -6.107
  572   HG21  VAL  88          3HG2      VAL  88  -2.839   6.498  -4.593
  573   HG22  VAL  88          1HG2      VAL  88  -3.152   6.577  -6.361
  574   HG23  VAL  88          2HG2      VAL  88  -3.791   5.242  -5.391
  575    H    VAL  89           H        VAL  89  -0.523   4.241  -9.000
  576    HA   VAL  89           HA       VAL  89   1.752   2.430  -8.249
  577    HB   VAL  89           HB       VAL  89   0.788   3.356 -10.989
  578   HG11  VAL  89          1HG1      VAL  89   2.961   1.347 -10.279
  579   HG12  VAL  89          2HG1      VAL  89   2.338   1.630 -11.905
  580   HG13  VAL  89          3HG1      VAL  89   3.194   2.921 -11.061
  581   HG21  VAL  89          3HG2      VAL  89  -0.813   1.762 -10.025
  582   HG22  VAL  89          1HG2      VAL  89   0.045   1.057 -11.395
  583   HG23  VAL  89          2HG2      VAL  89   0.499   0.595  -9.740
  584    H    ARG  90           H        ARG  90   3.817   3.304  -8.267
  585    HA   ARG  90           HA       ARG  90   5.347   4.879  -7.895
  586    HB3  ARG  90           1HB      ARG  90   4.574   5.478 -10.757
  587    HG3  ARG  90           1HG      ARG  90   6.467   6.816 -10.127
  588    HD3  ARG  90           1HD      ARG  90   7.524   4.311  -8.821
  589    HE   ARG  90           HE       ARG  90   9.590   4.772  -9.607
  590   HH11  ARG  90          1HH1      ARG  90   8.116   7.962  -9.113
  591   HH12  ARG  90          2HH1      ARG  90   9.610   8.773  -9.452
  592   HH21  ARG  90          1HH2      ARG  90  11.421   5.841  -9.979
  593   HH22  ARG  90          2HH2      ARG  90  11.485   7.588  -9.934
  594    HA   PRO  91           HA       PRO  91   2.546   8.501  -6.847
  595    HB3  PRO  91           1HB      PRO  91   2.557   8.016  -4.670
  596    HG3  PRO  91           1HG      PRO  91   4.322   6.744  -3.673
  597    HD3  PRO  91           1HD      PRO  91   3.604   5.520  -5.600
  598    H    GLY  92           H        GLY  92   2.866  10.441  -7.810
  599    HA2  GLY  92           1HA      GLY  92   5.546  11.306  -8.658
  600    HA3  GLY  92           2HA      GLY  92   3.980  12.048  -9.067
  601    H    SER  93           H        SER  93   3.146  12.373  -6.311
  602    HA   SER  93           HA       SER  93   4.930  13.820  -4.659
  603    HB3  SER  93           1HB      SER  93   2.990  15.618  -6.161
  604    HG   SER  93           HG       SER  93   4.271  17.240  -5.095
  605    H    ALA  94           H        ALA  94   3.678  14.882  -2.831
  606    HA   ALA  94           HA       ALA  94   1.718  13.146  -1.762
  607    HB1  ALA  94           3HB      ALA  94   2.372  16.047  -1.091
  608    HB2  ALA  94           1HB      ALA  94   1.511  14.910  -0.039
  609    HB3  ALA  94           2HB      ALA  94   3.220  14.631  -0.440
  610    H    SER  95           H        SER  95   1.273  16.092  -3.723
  611    HA   SER  95           HA       SER  95  -1.532  16.425  -3.413
  612    HB3  SER  95           1HB      SER  95  -0.168  18.053  -4.551
  613    HG   SER  95           HG       SER  95   0.735  17.553  -6.617
  614    H    VAL  96           H        VAL  96   0.238  14.055  -5.390
  615    HA   VAL  96           HA       VAL  96  -2.178  13.091  -6.783
  616    HB   VAL  96           HB       VAL  96   0.641  11.901  -6.682
  617   HG11  VAL  96          1HG1      VAL  96  -1.684  11.374  -8.566
  618   HG12  VAL  96          2HG1      VAL  96  -0.028  10.751  -8.777
  619   HG13  VAL  96          3HG1      VAL  96  -0.985  10.233  -7.390
  620   HG21  VAL  96          3HG2      VAL  96   0.741  14.169  -7.658
  621   HG22  VAL  96          1HG2      VAL  96   0.966  12.948  -8.906
  622   HG23  VAL  96          2HG2      VAL  96  -0.605  13.756  -8.758
  623    H    LEU  97           H        LEU  97  -0.041  11.998  -4.105
  624    HA   LEU  97           HA       LEU  97  -1.439   9.495  -3.738
  625    HB3  LEU  97           1HB      LEU  97  -0.010  10.502  -1.383
  626    HG   LEU  97           HG       LEU  97   0.616   8.296  -3.434
  627   HD11  LEU  97          1HD1      LEU  97   1.749   8.693  -0.640
  628   HD12  LEU  97          2HD1      LEU  97   2.606   8.921  -2.198
  629   HD13  LEU  97          3HD1      LEU  97   2.039   7.330  -1.752
  630   HD21  LEU  97          3HD2      LEU  97  -0.271   6.929  -1.333
  631   HD22  LEU  97          1HD2      LEU  97  -1.435   7.652  -2.473
  632   HD23  LEU  97          2HD2      LEU  97  -1.095   8.445  -0.952
  633    H    GLU  98           H        GLU  98  -1.575  12.580  -1.909
  634    HA   GLU  98           HA       GLU  98  -3.673  11.924  -0.157
  635    HB3  GLU  98           1HB      GLU  98  -4.137  14.394  -0.150
  636    HG3  GLU  98           1HG      GLU  98  -1.175  13.725   0.104
  637    H    GLU  99           H        GLU  99  -3.914  13.237  -3.494
  638    HA   GLU  99           HA       GLU  99  -6.701  13.587  -3.663
  639    HB3  GLU  99           1HB      GLU  99  -4.606  12.818  -5.727
  640    HG3  GLU  99           1HG      GLU  99  -7.537  13.366  -6.155
  641    H    ALA 100           H        ALA 100  -4.801  10.581  -4.040
  642    HA   ALA 100           HA       ALA 100  -7.182   9.002  -4.694
  643    HB1  ALA 100           3HB      ALA 100  -4.963   8.384  -5.520
  644    HB2  ALA 100           1HB      ALA 100  -4.377   8.189  -3.851
  645    HB3  ALA 100           2HB      ALA 100  -5.621   7.091  -4.475
  646    H    PHE 101           H        PHE 101  -5.227   9.573  -1.712
  647    HA   PHE 101           HA       PHE 101  -6.541   7.671  -0.069
  648    HB3  PHE 101           1HB      PHE 101  -5.926   9.616   1.676
  649    HD1  PHE 101           HD1      PHE 101  -3.406   7.954  -0.707
  650    HD2  PHE 101           HD2      PHE 101  -5.215   8.053   3.231
  651    HE1  PHE 101           HE1      PHE 101  -1.813   6.286   0.083
  652    HE2  PHE 101           HE2      PHE 101  -3.585   6.356   3.993
  653    HZ   PHE 101           HZ       PHE 101  -1.864   5.483   2.392
  654    H    GLU 102           H        GLU 102  -7.315  11.159  -0.494
  655    HA   GLU 102           HA       GLU 102  -9.636  11.115   1.156
  656    HB3  GLU 102           1HB      GLU 102  -8.675  13.207   0.642
  657    HG3  GLU 102           1HG      GLU 102  -8.446  12.377  -2.066
  658    H    SER 103           H        SER 103  -9.259  10.259  -2.269
  659    HA   SER 103           HA       SER 103 -12.073  10.153  -2.854
  660    HB3  SER 103           1HB      SER 103  -9.818   8.612  -4.197
  661    HG   SER 103           HG       SER 103 -11.250   8.907  -6.021
  662    H    LEU 104           H        LEU 104  -9.828   7.811  -1.395
  663    HA   LEU 104           HA       LEU 104 -11.898   5.666  -1.501
  664    HB3  LEU 104           1HB      LEU 104 -10.039   4.257  -0.538
  665    HG   LEU 104           HG       LEU 104  -9.045   3.700  -2.502
  666   HD11  LEU 104          1HD1      LEU 104 -10.666   3.759  -4.254
  667   HD12  LEU 104          2HD1      LEU 104 -11.341   5.300  -3.693
  668   HD13  LEU 104          3HD1      LEU 104 -11.586   3.797  -2.759
  669   HD21  LEU 104          3HD2      LEU 104  -7.781   5.765  -2.871
  670   HD22  LEU 104          1HD2      LEU 104  -9.253   6.521  -3.577
  671   HD23  LEU 104          2HD2      LEU 104  -8.477   5.170  -4.370
  672    H    VAL 105           H        VAL 105 -10.444   7.814   0.848
  673    HA   VAL 105           HA       VAL 105 -11.631   6.482   3.119
  674    HB   VAL 105           HB       VAL 105  -9.656   8.289   2.907
  675   HG11  VAL 105          1HG1      VAL 105 -11.185  10.169   2.298
  676   HG12  VAL 105          2HG1      VAL 105 -11.931  10.047   3.901
  677   HG13  VAL 105          3HG1      VAL 105 -10.229  10.472   3.754
  678   HG21  VAL 105          3HG2      VAL 105 -10.184   6.887   4.836
  679   HG22  VAL 105          1HG2      VAL 105  -9.652   8.516   5.268
  680   HG23  VAL 105          2HG2      VAL 105 -11.384   8.087   5.372
  681    H    GLY 106           H        GLY 106 -12.766   8.845   0.809
  682    HA2  GLY 106           1HA      GLY 106 -15.079   9.088   0.330
  683    HA3  GLY 106           2HA      GLY 106 -15.475   8.921   2.058
  684    H    GLU 107           H        GLU 107 -12.945  10.876   2.276
  685    HA   GLU 107           HA       GLU 107 -14.316  13.312   2.739
  686    HB3  GLU 107           1HB      GLU 107 -11.788  14.178   2.352
  687    HG3  GLU 107           1HG      GLU 107 -11.235  13.269   4.674
  688    H    GLY 108           H        GLY 108 -12.931  12.073  -0.259
  689    HA2  GLY 108           1HA      GLY 108 -12.971  14.505  -1.776
  690    HA3  GLY 108           2HA      GLY 108 -13.022  12.851  -2.428
  Start of MODEL   18
    1    H1   MET   1           H        MET   1   4.152   3.973  10.323
    2    HA   MET   1           HA       MET   1   5.766   3.389   8.505
    3    HB3  MET   1           1HB      MET   1   6.051   5.724   7.555
    4    HG3  MET   1           1HG      MET   1   3.640   6.218   7.357
    5    HE1  MET   1           3HE      MET   1   4.686   3.821   4.452
    6    HE2  MET   1           1HE      MET   1   4.436   5.501   4.971
    7    HE3  MET   1           2HE      MET   1   5.809   4.563   5.596
    8    H    LYS   2           H        LYS   2   7.152   4.905  11.281
    9    HA   LYS   2           HA       LYS   2   9.916   4.951  10.241
   10    HB3  LYS   2           1HB      LYS   2  10.483   5.203  12.662
   11    HG3  LYS   2           1HG      LYS   2   8.280   7.082  11.672
   12    HD3  LYS   2           1HD      LYS   2   8.774   7.377  14.068
   13    HE3  LYS   2           1HE      LYS   2  11.157   6.632  14.136
   14    HZ1  LYS   2           3HZ      LYS   2  12.838   8.250  13.492
   15    HZ2  LYS   2           1HZ      LYS   2  11.715   9.254  12.871
   16    HZ3  LYS   2           2HZ      LYS   2  12.000   7.808  12.163
   17    H    THR   3           H        THR   3   7.752   2.599  11.582
   18    HA   THR   3           HA       THR   3   9.658   0.487  12.172
   19    HB   THR   3           HB       THR   3   6.679   0.324  11.578
   20    HG1  THR   3           HG1      THR   3   6.513   0.507  13.844
   21   HG21  THR   3          3HG2      THR   3   7.726  -1.909  11.570
   22   HG22  THR   3          1HG2      THR   3   6.814  -1.697  13.068
   23   HG23  THR   3          2HG2      THR   3   8.584  -1.533  13.084
   24    H    ARG   4           H        ARG   4  10.296  -1.210  10.932
   25    HA   ARG   4           HA       ARG   4  10.661  -0.731   8.153
   26    HB3  ARG   4           1HB      ARG   4  11.805  -2.936   8.187
   27    HG3  ARG   4           1HG      ARG   4  12.438  -1.251  10.656
   28    HD3  ARG   4           1HD      ARG   4  14.744  -2.109  10.295
   29    HE   ARG   4           HE       ARG   4  12.696  -3.441  11.607
   30   HH11  ARG   4          1HH1      ARG   4  15.742  -4.466  10.109
   31   HH12  ARG   4          2HH1      ARG   4  15.881  -5.859  11.140
   32   HH21  ARG   4          1HH2      ARG   4  12.949  -5.246  12.906
   33   HH22  ARG   4          2HH2      ARG   4  14.329  -6.279  12.712
   34    H    TYR   5           H        TYR   5  10.321  -2.377   6.456
   35    HA   TYR   5           HA       TYR   5   7.643  -3.332   6.024
   36    HB3  TYR   5           1HB      TYR   5   9.157  -4.825   4.357
   37    HD1  TYR   5           HD1      TYR   5   9.431  -1.068   4.483
   38    HD2  TYR   5           HD2      TYR   5   7.725  -4.551   2.635
   39    HE1  TYR   5           HE1      TYR   5   8.403   0.372   2.704
   40    HE2  TYR   5           HE2      TYR   5   6.684  -3.123   0.875
   41    HH   TYR   5           HH       TYR   5   7.288   0.407   0.715
   42    H    SER   6           H        SER   6   7.007  -5.647   5.723
   43    HA   SER   6           HA       SER   6   8.504  -7.559   7.480
   44    HB3  SER   6           1HB      SER   6   5.501  -7.143   7.467
   45    HG   SER   6           HG       SER   6   5.835  -8.461   9.463
   46    H    ALA   7           H        ALA   7   8.670  -9.593   6.817
   47    HA   ALA   7           HA       ALA   7   7.457 -10.543   4.322
   48    HB1  ALA   7           3HB      ALA   7   8.831 -12.524   4.790
   49    HB2  ALA   7           1HB      ALA   7   9.795 -11.052   4.978
   50    HB3  ALA   7           2HB      ALA   7   9.214 -11.920   6.412
   51    H    GLU   8           H        GLU   8   6.327 -10.391   7.528
   52    HA   GLU   8           HA       GLU   8   5.079 -13.029   7.625
   53    HB3  GLU   8           1HB      GLU   8   4.351 -12.322   9.883
   54    HG3  GLU   8           1HG      GLU   8   6.514 -11.808  10.935
   55    H    ALA   9           H        ALA   9   4.193 -10.998   5.605
   56    HA   ALA   9           HA       ALA   9   1.514 -10.165   6.227
   57    HB1  ALA   9           3HB      ALA   9   1.360  -9.707   3.784
   58    HB2  ALA   9           1HB      ALA   9   2.827  -9.017   4.515
   59    HB3  ALA   9           2HB      ALA   9   2.918 -10.514   3.546
   60    HA   PRO  10           HA       PRO  10  -0.877 -13.846   5.249
   61    HB3  PRO  10           1HB      PRO  10  -2.672 -12.602   6.097
   62    HG3  PRO  10           1HG      PRO  10  -2.986 -10.300   5.458
   63    HD3  PRO  10           1HD      PRO  10  -0.885 -10.518   6.502
   64    H    ALA  11           H        ALA  11  -2.004 -14.945   3.497
   65    HA   ALA  11           HA       ALA  11  -1.113 -14.291   0.750
   66    HB1  ALA  11           3HB      ALA  11  -2.360 -16.364   0.177
   67    HB2  ALA  11           1HB      ALA  11  -1.212 -16.652   1.504
   68    HB3  ALA  11           2HB      ALA  11  -2.944 -16.480   1.854
   69    H    ARG  12           H        ARG  12  -2.706 -13.821  -0.962
   70    HA   ARG  12           HA       ARG  12  -4.395 -11.718  -0.199
   71    HB3  ARG  12           1HB      ARG  12  -4.696 -13.244  -2.823
   72    HG3  ARG  12           1HG      ARG  12  -5.046 -10.364  -1.872
   73    HD3  ARG  12           1HD      ARG  12  -3.900 -10.588  -4.123
   74    HE   ARG  12           HE       ARG  12  -4.921 -11.737  -5.759
   75   HH11  ARG  12          1HH1      ARG  12  -7.586 -10.397  -3.849
   76   HH12  ARG  12          2HH1      ARG  12  -8.784 -10.945  -4.979
   77   HH21  ARG  12          1HH2      ARG  12  -6.505 -12.526  -7.077
   78   HH22  ARG  12          2HH2      ARG  12  -8.178 -12.154  -6.778
   79    H    ASP  13           H        ASP  13  -5.261 -15.051  -0.965
   80    HA   ASP  13           HA       ASP  13  -8.080 -14.884  -0.656
   81    HB3  ASP  13           1HB      ASP  13  -7.928 -17.359  -0.310
   82    H    GLU  14           H        GLU  14  -5.634 -14.856   1.845
   83    HA   GLU  14           HA       GLU  14  -7.590 -15.479   4.000
   84    HB3  GLU  14           1HB      GLU  14  -4.601 -14.887   4.085
   85    HG3  GLU  14           1HG      GLU  14  -6.539 -15.833   6.240
   86    H    LEU  15           H        LEU  15  -5.620 -12.805   2.690
   87    HA   LEU  15           HA       LEU  15  -6.471 -10.725   4.454
   88    HB3  LEU  15           1HB      LEU  15  -5.380 -10.803   1.607
   89    HG   LEU  15           HG       LEU  15  -5.980  -8.491   3.410
   90   HD11  LEU  15          1HD1      LEU  15  -3.524  -8.597   3.604
   91   HD12  LEU  15          2HD1      LEU  15  -4.043  -7.208   2.662
   92   HD13  LEU  15          3HD1      LEU  15  -3.376  -8.636   1.837
   93   HD21  LEU  15          3HD2      LEU  15  -5.542  -8.816   0.395
   94   HD22  LEU  15          1HD2      LEU  15  -5.975  -7.302   1.209
   95   HD23  LEU  15          2HD2      LEU  15  -7.103  -8.661   1.228
   96    H    ASP  16           H        ASP  16  -7.946 -12.103   1.534
   97    HA   ASP  16           HA       ASP  16 -10.001 -10.314   0.941
   98    HB3  ASP  16           1HB      ASP  16  -9.787 -13.335   0.887
   99    H    ARG  17           H        ARG  17  -9.696 -12.365   3.771
  100    HA   ARG  17           HA       ARG  17 -12.516 -12.278   4.509
  101    HB3  ARG  17           1HB      ARG  17 -11.806 -13.435   6.504
  102    HG3  ARG  17           1HG      ARG  17 -10.731 -15.421   5.644
  103    HD3  ARG  17           1HD      ARG  17 -12.340 -14.345   3.303
  104    HE   ARG  17           HE       ARG  17 -12.088 -17.113   4.421
  105   HH11  ARG  17          1HH1      ARG  17 -12.131 -15.081   1.473
  106   HH12  ARG  17          2HH1      ARG  17 -11.973 -16.481   0.462
  107   HH21  ARG  17          1HH2      ARG  17 -11.893 -18.811   3.008
  108   HH22  ARG  17          2HH2      ARG  17 -11.852 -18.538   1.300
  109    H    LEU  18           H        LEU  18  -9.939 -10.020   4.816
  110    HA   LEU  18           HA       LEU  18 -10.639  -8.927   7.385
  111    HB3  LEU  18           1HB      LEU  18  -8.465  -8.546   6.196
  112    HG   LEU  18           HG       LEU  18  -9.199  -7.457   4.026
  113   HD11  LEU  18          1HD1      LEU  18 -10.962  -5.875   4.653
  114   HD12  LEU  18          2HD1      LEU  18  -9.590  -4.983   4.040
  115   HD13  LEU  18          3HD1      LEU  18  -9.870  -5.060   5.787
  116   HD21  LEU  18          3HD2      LEU  18  -7.492  -5.722   5.844
  117   HD22  LEU  18          1HD2      LEU  18  -7.395  -5.804   4.070
  118   HD23  LEU  18          2HD2      LEU  18  -6.911  -7.202   5.052
  119    H    ALA  19           H        ALA  19 -11.311  -6.657   7.777
  120    HA   ALA  19           HA       ALA  19 -13.169  -5.503   5.841
  121    HB1  ALA  19           3HB      ALA  19 -14.095  -6.241   8.647
  122    HB2  ALA  19           1HB      ALA  19 -15.012  -5.278   7.456
  123    HB3  ALA  19           2HB      ALA  19 -14.634  -6.985   7.126
  124    H    GLY  20           H        GLY  20 -13.285  -3.365   5.961
  125    HA2  GLY  20           1HA      GLY  20 -13.100  -1.188   7.023
  126    HA3  GLY  20           2HA      GLY  20 -11.787  -1.790   8.040
  127    HA   PRO  21           HA       PRO  21 -10.304   0.060   3.900
  128    HB3  PRO  21           1HB      PRO  21 -11.158   2.178   4.130
  129    HG3  PRO  21           1HG      PRO  21 -11.507   3.144   6.279
  130    HD3  PRO  21           1HD      PRO  21 -12.633   1.087   6.411
  131    H    THR  22           H        THR  22  -8.387  -0.740   3.428
  132    HA   THR  22           HA       THR  22  -6.038  -0.411   5.252
  133    HB   THR  22           HB       THR  22  -7.002  -3.093   4.162
  134    HG1  THR  22           HG1      THR  22  -8.112  -2.316   6.006
  135   HG21  THR  22          3HG2      THR  22  -4.537  -3.035   4.205
  136   HG22  THR  22          1HG2      THR  22  -5.129  -4.008   5.561
  137   HG23  THR  22          2HG2      THR  22  -4.562  -2.350   5.849
  138    H    LEU  23           H        LEU  23  -4.328   0.201   4.104
  139    HA   LEU  23           HA       LEU  23  -4.279  -0.241   1.163
  140    HB3  LEU  23           1HB      LEU  23  -2.533   1.439   2.991
  141    HG   LEU  23           HG       LEU  23  -1.345   1.002   0.907
  142   HD11  LEU  23          1HD1      LEU  23  -4.010   1.575  -0.299
  143   HD12  LEU  23          2HD1      LEU  23  -2.794   0.357  -0.705
  144   HD13  LEU  23          3HD1      LEU  23  -2.571   2.025  -1.219
  145   HD21  LEU  23          3HD2      LEU  23  -1.094   3.292   0.104
  146   HD22  LEU  23          1HD2      LEU  23  -1.170   3.220   1.869
  147   HD23  LEU  23          2HD2      LEU  23  -2.596   3.749   0.934
  148    H    VAL  24           H        VAL  24  -3.038  -1.794   0.297
  149    HA   VAL  24           HA       VAL  24  -0.995  -3.174   2.000
  150    HB   VAL  24           HB       VAL  24  -2.463  -4.212  -0.467
  151   HG11  VAL  24          1HG1      VAL  24  -1.549  -6.411   0.186
  152   HG12  VAL  24          2HG1      VAL  24  -0.235  -5.265  -0.123
  153   HG13  VAL  24          3HG1      VAL  24  -0.681  -5.662   1.547
  154   HG21  VAL  24          3HG2      VAL  24  -2.943  -4.927   2.457
  155   HG22  VAL  24          1HG2      VAL  24  -4.040  -3.965   1.438
  156   HG23  VAL  24          2HG2      VAL  24  -3.724  -5.654   1.033
  157    H    GLU  25           H        GLU  25   0.998  -2.594   1.604
  158    HA   GLU  25           HA       GLU  25   1.763  -1.460  -1.041
  159    HB3  GLU  25           1HB      GLU  25   2.872  -1.034   1.752
  160    HG3  GLU  25           1HG      GLU  25   3.477   0.513  -0.789
  161    H    PHE  26           H        PHE  26   3.234  -2.462  -2.267
  162    HA   PHE  26           HA       PHE  26   4.798  -4.732  -1.177
  163    HB3  PHE  26           1HB      PHE  26   4.961  -5.517  -3.425
  164    HD1  PHE  26           HD1      PHE  26   3.188  -6.685  -1.727
  165    HD2  PHE  26           HD2      PHE  26   2.185  -3.811  -4.777
  166    HE1  PHE  26           HE1      PHE  26   0.795  -7.325  -1.556
  167    HE2  PHE  26           HE2      PHE  26  -0.174  -4.550  -4.675
  168    HZ   PHE  26           HZ       PHE  26  -0.896  -6.219  -2.996
  169    H    GLY  27           H        GLY  27   6.948  -4.746  -1.204
  170    HA2  GLY  27           1HA      GLY  27   8.858  -3.473  -2.711
  171    HA3  GLY  27           2HA      GLY  27   8.397  -2.248  -1.537
  172    H    THR  28           H        THR  28  10.506  -2.342  -0.653
  173    HA   THR  28           HA       THR  28  10.739  -4.283   1.559
  174    HB   THR  28           HB       THR  28  13.177  -4.515   1.230
  175    HG1  THR  28           HG1      THR  28  13.968  -3.977  -0.874
  176   HG21  THR  28          3HG2      THR  28  13.137  -6.204  -0.513
  177   HG22  THR  28          1HG2      THR  28  11.634  -5.543  -1.178
  178   HG23  THR  28          2HG2      THR  28  11.639  -6.295   0.418
  179    H    ASP  29           H        ASP  29  12.783  -3.385   2.958
  180    HA   ASP  29           HA       ASP  29  12.089  -0.559   3.477
  181    HB3  ASP  29           1HB      ASP  29  13.881  -2.442   5.047
  182    H    TRP  30           H        TRP  30  14.215  -2.090   1.447
  183    HA   TRP  30           HA       TRP  30  16.457  -0.154   1.856
  184    HB3  TRP  30           1HB      TRP  30  17.093  -2.219   2.734
  185    HD1  TRP  30           HD       TRP  30  15.780  -4.379   3.132
  186    HE1  TRP  30           HE1      TRP  30  15.216  -6.471   1.762
  187    HE3  TRP  30           HE3      TRP  30  17.363  -2.769  -1.468
  188    HZ2  TRP  30           HZ2      TRP  30  15.321  -7.287  -1.021
  189    HZ3  TRP  30           HZ3      TRP  30  17.115  -4.194  -3.447
  190    HH2  TRP  30           HH       TRP  30  16.079  -6.465  -3.253
  191    H    CYS  31           H        CYS  31  14.238  -1.226  -0.619
  192    HA   CYS  31           HA       CYS  31  15.986  -0.644  -2.861
  193    HB2  CYS  31           1HB      CYS  31  13.975  -2.031  -3.100
  194    HB3  CYS  31           2HB      CYS  31  12.947  -0.646  -2.696
  195    H    GLY  32           H        GLY  32  16.189   1.214  -4.065
  196    HA2  GLY  32           1HA      GLY  32  15.964   3.802  -2.801
  197    HA3  GLY  32           2HA      GLY  32  16.423   3.493  -4.476
  198    H    HIS  33           H        HIS  33  13.741   1.985  -4.873
  199    HA   HIS  33           HA       HIS  33  11.987   4.270  -5.481
  200    HB2  HIS  33           1HB      HIS  33  11.583   1.238  -5.347
  201    HB3  HIS  33           2HB      HIS  33  10.270   2.371  -5.607
  202    HD1  HIS  33           HD1      HIS  33  11.570   0.130  -7.718
  203    HD2  HIS  33           HD2      HIS  33  11.404   4.325  -7.783
  204    HE1  HIS  33           HE1      HIS  33  11.350   0.796 -10.163
  205    H    CYS  34           H        CYS  34  12.080   1.750  -2.923
  206    HA   CYS  34           HA       CYS  34   9.815   2.686  -1.470
  207    HB3  CYS  34           1HB      CYS  34  11.179   1.462   0.446
  208    HG   CYS  34           HG       CYS  34  10.089  -0.697  -0.047
  209    H    GLN  35           H        GLN  35  13.235   3.662  -1.240
  210    HA   GLN  35           HA       GLN  35  12.938   5.099   1.199
  211    HB3  GLN  35           1HB      GLN  35  14.973   6.323   0.572
  212    HG3  GLN  35           1HG      GLN  35  16.552   4.624   0.211
  213   HE21  GLN  35          2HE2      GLN  35  14.523   1.936   0.336
  214   HE22  GLN  35          1HE2      GLN  35  14.581   1.729   2.091
  215    H    ALA  36           H        ALA  36  11.954   5.909  -2.005
  216    HA   ALA  36           HA       ALA  36  11.446   8.777  -1.443
  217    HB1  ALA  36           3HB      ALA  36  10.807   8.832  -3.812
  218    HB2  ALA  36           1HB      ALA  36  12.405   8.071  -3.621
  219    HB3  ALA  36           2HB      ALA  36  10.973   7.062  -3.928
  220    H    ALA  37           H        ALA  37   9.595   5.739  -1.974
  221    HA   ALA  37           HA       ALA  37   7.027   7.111  -1.844
  222    HB1  ALA  37           3HB      ALA  37   7.678   4.149  -1.800
  223    HB2  ALA  37           1HB      ALA  37   6.077   4.902  -2.071
  224    HB3  ALA  37           2HB      ALA  37   7.374   5.139  -3.251
  225    H    GLN  38           H        GLN  38   9.041   5.349   0.512
  226    HA   GLN  38           HA       GLN  38   7.140   4.923   2.554
  227    HB3  GLN  38           1HB      GLN  38   9.213   5.431   4.072
  228    HG3  GLN  38           1HG      GLN  38   9.388   3.138   2.065
  229   HE21  GLN  38          2HE2      GLN  38   9.946   1.074   3.722
  230   HE22  GLN  38          1HE2      GLN  38  11.344   1.383   4.737
  231    HA   PRO  39           HA       PRO  39   7.685   9.257   4.443
  232    HB3  PRO  39           1HB      PRO  39   9.784  10.141   4.141
  233    HG3  PRO  39           1HG      PRO  39  10.957   9.883   2.070
  234    HD3  PRO  39           1HD      PRO  39  10.382   7.728   2.821
  235    H    LEU  40           H        LEU  40   7.002   8.772   1.044
  236    HA   LEU  40           HA       LEU  40   5.246  11.027   0.604
  237    HB3  LEU  40           1HB      LEU  40   4.767   8.454  -0.856
  238    HG   LEU  40           HG       LEU  40   4.794   9.581  -2.802
  239   HD11  LEU  40          1HD1      LEU  40   2.989  10.505  -1.168
  240   HD12  LEU  40          2HD1      LEU  40   3.327  11.382  -2.661
  241   HD13  LEU  40          3HD1      LEU  40   3.998  11.949  -1.105
  242   HD21  LEU  40          3HD2      LEU  40   6.424  11.835  -1.593
  243   HD22  LEU  40          1HD2      LEU  40   5.867  11.708  -3.279
  244   HD23  LEU  40          2HD2      LEU  40   7.027  10.530  -2.647
  245    H    LEU  41           H        LEU  41   4.669   7.568   1.285
  246    HA   LEU  41           HA       LEU  41   1.850   7.796   1.760
  247    HB3  LEU  41           1HB      LEU  41   2.403   5.582   3.137
  248    HG   LEU  41           HG       LEU  41   2.425   4.149   1.303
  249   HD11  LEU  41          1HD1      LEU  41   0.619   4.891  -0.118
  250   HD12  LEU  41          2HD1      LEU  41   0.823   6.563   0.456
  251   HD13  LEU  41          3HD1      LEU  41   0.356   5.293   1.588
  252   HD21  LEU  41          3HD2      LEU  41   2.895   4.847  -1.029
  253   HD22  LEU  41          1HD2      LEU  41   4.287   4.890   0.051
  254   HD23  LEU  41          2HD2      LEU  41   3.499   6.399  -0.405
  255    H    ALA  42           H        ALA  42   4.678   7.896   3.955
  256    HA   ALA  42           HA       ALA  42   3.209   8.067   6.377
  257    HB1  ALA  42           3HB      ALA  42   5.285   8.870   7.342
  258    HB2  ALA  42           1HB      ALA  42   5.679   7.640   6.137
  259    HB3  ALA  42           2HB      ALA  42   5.894   9.357   5.744
  260    H    GLU  43           H        GLU  43   4.107  10.702   4.143
  261    HA   GLU  43           HA       GLU  43   3.046  12.831   5.812
  262    HB3  GLU  43           1HB      GLU  43   2.994  14.065   3.551
  263    HG3  GLU  43           1HG      GLU  43   5.566  13.929   3.319
  264    H    VAL  44           H        VAL  44   1.654  10.893   3.117
  265    HA   VAL  44           HA       VAL  44  -0.843  12.290   3.023
  266    HB   VAL  44           HB       VAL  44  -0.251   9.446   2.175
  267   HG11  VAL  44          1HG1      VAL  44  -2.140   9.804   0.599
  268   HG12  VAL  44          2HG1      VAL  44  -2.585   9.635   2.313
  269   HG13  VAL  44          3HG1      VAL  44  -2.581  11.219   1.556
  270   HG21  VAL  44          3HG2      VAL  44  -0.415  11.412   0.081
  271   HG22  VAL  44          1HG2      VAL  44   0.968  11.653   1.160
  272   HG23  VAL  44          2HG2      VAL  44   0.708  10.063   0.410
  273    H    PHE  45           H        PHE  45   0.020   9.183   4.586
  274    HA   PHE  45           HA       PHE  45  -2.440   8.612   5.892
  275    HB3  PHE  45           1HB      PHE  45  -0.621   7.494   7.556
  276    HD1  PHE  45           HD1      PHE  45  -2.849   6.265   7.137
  277    HD2  PHE  45           HD2      PHE  45   0.546   6.086   4.459
  278    HE1  PHE  45           HE1      PHE  45  -3.588   4.063   6.263
  279    HE2  PHE  45           HE2      PHE  45  -0.184   3.893   3.684
  280    HZ   PHE  45           HZ       PHE  45  -2.286   2.888   4.551
  281    H    SER  46           H        SER  46  -0.204  11.158   6.553
  282    HA   SER  46           HA       SER  46  -0.642  11.405   9.411
  283    HB3  SER  46           1HB      SER  46  -0.091  13.710   7.526
  284    HG   SER  46           HG       SER  46   1.178  14.360   9.356
  285    H    ASP  47           H        ASP  47  -2.599  12.287   6.591
  286    HA   ASP  47           HA       ASP  47  -4.537  13.783   8.282
  287    HB3  ASP  47           1HB      ASP  47  -4.586  13.424   5.286
  288    H    TYR  48           H        TYR  48  -4.090  10.622   7.094
  289    HA   TYR  48           HA       TYR  48  -6.990   9.946   7.467
  290    HB3  TYR  48           1HB      TYR  48  -6.914   8.422   5.647
  291    HD1  TYR  48           HD2      TYR  48  -8.359  10.572   5.148
  292    HD2  TYR  48           HD1      TYR  48  -4.239  10.109   4.006
  293    HE1  TYR  48           HE2      TYR  48  -8.607  12.437   3.538
  294    HE2  TYR  48           HE1      TYR  48  -4.433  12.059   2.485
  295    HH   TYR  48           HH       TYR  48  -7.474  13.914   2.141
  296    HA   PRO  49           HA       PRO  49  -3.988   7.303  10.090
  297    HB3  PRO  49           1HB      PRO  49  -3.584   8.837  11.731
  298    HG3  PRO  49           1HG      PRO  49  -5.165  10.573  12.223
  299    HD3  PRO  49           1HD      PRO  49  -4.650  10.671   9.922
  300    H    GLU  50           H        GLU  50  -7.504   7.726  10.025
  301    HA   GLU  50           HA       GLU  50  -8.205   5.298  11.340
  302    HB3  GLU  50           1HB      GLU  50  -9.766   7.159  10.945
  303    HG3  GLU  50           1HG      GLU  50  -9.869   6.228   8.039
  304    H    VAL  51           H        VAL  51  -6.656   5.700   8.299
  305    HA   VAL  51           HA       VAL  51  -7.595   3.094   7.203
  306    HB   VAL  51           HB       VAL  51  -5.602   5.085   6.028
  307   HG11  VAL  51          1HG1      VAL  51  -6.994   2.659   4.782
  308   HG12  VAL  51          2HG1      VAL  51  -6.020   3.838   3.900
  309   HG13  VAL  51          3HG1      VAL  51  -5.260   2.824   5.118
  310   HG21  VAL  51          3HG2      VAL  51  -8.540   4.665   5.368
  311   HG22  VAL  51          1HG2      VAL  51  -7.822   6.110   6.116
  312   HG23  VAL  51          2HG2      VAL  51  -7.406   5.686   4.455
  313    H    GLY  52           H        GLY  52  -6.285   1.271   7.192
  314    HA2  GLY  52           1HA      GLY  52  -3.835   1.255   8.880
  315    HA3  GLY  52           2HA      GLY  52  -4.713  -0.148   8.255
  316    H    HIS  53           H        HIS  53  -1.848   0.252   8.130
  317    HA   HIS  53           HA       HIS  53  -1.527   0.103   5.169
  318    HB2  HIS  53           1HB      HIS  53  -0.558   2.224   6.354
  319    HB3  HIS  53           2HB      HIS  53   0.677   1.152   6.947
  320    HD1  HIS  53           HD1      HIS  53   2.475   2.570   5.414
  321    HD2  HIS  53           HD2      HIS  53  -0.582   0.602   3.317
  322    HE1  HIS  53           HE1      HIS  53   3.094   2.642   2.935
  323    H    LEU  54           H        LEU  54  -0.664  -1.782   4.483
  324    HA   LEU  54           HA       LEU  54   0.813  -3.528   6.404
  325    HB3  LEU  54           1HB      LEU  54  -0.464  -4.528   3.853
  326    HG   LEU  54           HG       LEU  54  -0.518  -5.689   6.672
  327   HD11  LEU  54          1HD1      LEU  54  -1.115  -6.954   3.965
  328   HD12  LEU  54          2HD1      LEU  54  -2.333  -6.368   5.126
  329   HD13  LEU  54          3HD1      LEU  54  -1.287  -7.712   5.573
  330   HD21  LEU  54          3HD2      LEU  54   1.413  -6.351   4.419
  331   HD22  LEU  54          1HD2      LEU  54   1.163  -7.371   5.852
  332   HD23  LEU  54          2HD2      LEU  54   1.817  -5.733   6.025
  333    H    LYS  55           H        LYS  55   2.971  -3.289   6.087
  334    HA   LYS  55           HA       LYS  55   4.087  -2.620   3.413
  335    HB3  LYS  55           1HB      LYS  55   6.212  -2.593   4.639
  336    HG3  LYS  55           1HG      LYS  55   4.767  -0.529   4.402
  337    HD3  LYS  55           1HD      LYS  55   3.199  -0.811   6.265
  338    HE3  LYS  55           1HE      LYS  55   5.682  -0.521   8.030
  339    HZ1  LYS  55           3HZ      LYS  55   2.817  -0.804   8.772
  340    HZ2  LYS  55           1HZ      LYS  55   3.701   0.568   8.942
  341    HZ3  LYS  55           2HZ      LYS  55   4.066  -0.761   9.830
  342    H    VAL  56           H        VAL  56   3.989  -4.418   2.140
  343    HA   VAL  56           HA       VAL  56   4.653  -7.095   3.221
  344    HB   VAL  56           HB       VAL  56   3.831  -6.280   0.397
  345   HG11  VAL  56          1HG1      VAL  56   3.937  -8.987   1.799
  346   HG12  VAL  56          2HG1      VAL  56   3.133  -8.700   0.258
  347   HG13  VAL  56          3HG1      VAL  56   4.879  -8.468   0.376
  348   HG21  VAL  56          3HG2      VAL  56   2.009  -7.450   2.525
  349   HG22  VAL  56          1HG2      VAL  56   2.061  -5.720   2.123
  350   HG23  VAL  56          2HG2      VAL  56   1.592  -6.870   0.898
  351    H    GLU  57           H        GLU  57   6.728  -7.741   3.285
  352    HA   GLU  57           HA       GLU  57   8.835  -6.760   1.543
  353    HB3  GLU  57           1HB      GLU  57   9.931  -9.036   2.298
  354    HG3  GLU  57           1HG      GLU  57   9.242  -6.976   4.396
  355    H    ASP  58           H        ASP  58   8.595  -6.916  -0.539
  356    HA   ASP  58           HA       ASP  58   8.094  -9.553  -1.862
  357    HB3  ASP  58           1HB      ASP  58   8.067  -6.833  -3.182
  358    H    GLY  59           H        GLY  59   9.525  -8.920  -4.305
  359    HA2  GLY  59           1HA      GLY  59  12.128  -7.874  -3.986
  360    HA3  GLY  59           2HA      GLY  59  12.219  -9.548  -3.489
  361    HA   PRO  60           HA       PRO  60  13.128  -9.285  -8.086
  362    HB3  PRO  60           1HB      PRO  60  15.265 -10.189  -8.389
  363    HG3  PRO  60           1HG      PRO  60  15.542  -8.484  -6.729
  364    HD3  PRO  60           1HD      PRO  60  14.323  -8.545  -4.712
  365    H    GLY  61           H        GLY  61  12.854 -12.169  -5.941
  366    HA2  GLY  61           1HA      GLY  61  11.046 -13.575  -7.846
  367    HA3  GLY  61           2HA      GLY  61  11.568 -14.145  -6.238
  368    H    ARG  62           H        ARG  62   9.104 -12.654  -7.979
  369    HA   ARG  62           HA       ARG  62   8.006 -10.879  -6.032
  370    HB3  ARG  62           1HB      ARG  62   5.965 -10.937  -7.428
  371    HG3  ARG  62           1HG      ARG  62   6.830 -10.332  -9.648
  372    HD3  ARG  62           1HD      ARG  62   8.618  -9.143  -7.498
  373    HE   ARG  62           HE       ARG  62   7.453  -7.881  -9.959
  374   HH11  ARG  62          1HH1      ARG  62  10.351  -8.432  -7.983
  375   HH12  ARG  62          2HH1      ARG  62  11.309  -7.362  -8.974
  376   HH21  ARG  62          1HH2      ARG  62   8.741  -6.514 -11.139
  377   HH22  ARG  62          2HH2      ARG  62  10.421  -6.318 -10.725
  378    H    ARG  63           H        ARG  63   6.322 -11.025  -4.631
  379    HA   ARG  63           HA       ARG  63   5.144 -13.710  -4.010
  380    HB3  ARG  63           1HB      ARG  63   5.028 -12.895  -1.618
  381    HG3  ARG  63           1HG      ARG  63   7.793 -13.339  -2.803
  382    HD3  ARG  63           1HD      ARG  63   8.100 -14.485  -0.531
  383    HE   ARG  63           HE       ARG  63   7.848 -11.599   0.052
  384   HH11  ARG  63          1HH1      ARG  63   9.927 -14.050  -1.464
  385   HH12  ARG  63          2HH1      ARG  63  11.345 -13.065  -1.273
  386   HH21  ARG  63          1HH2      ARG  63   9.606 -10.414   0.172
  387   HH22  ARG  63          2HH2      ARG  63  11.177 -10.984  -0.351
  388    H    LEU  64           H        LEU  64   3.762 -11.390  -2.056
  389    HA   LEU  64           HA       LEU  64   1.203 -11.894  -2.986
  390    HB3  LEU  64           1HB      LEU  64   2.094  -9.409  -1.494
  391    HG   LEU  64           HG       LEU  64  -0.302  -9.344  -1.865
  392   HD11  LEU  64          1HD1      LEU  64  -0.890 -11.644  -2.363
  393   HD12  LEU  64          2HD1      LEU  64  -1.786 -11.143  -0.931
  394   HD13  LEU  64          3HD1      LEU  64  -0.357 -12.185  -0.750
  395   HD21  LEU  64          3HD2      LEU  64   0.533  -8.659   0.346
  396   HD22  LEU  64          1HD2      LEU  64   0.344 -10.315   0.952
  397   HD23  LEU  64          2HD2      LEU  64  -1.082  -9.362   0.481
  398    H    GLY  65           H        GLY  65   3.238  -9.096  -4.013
  399    HA2  GLY  65           1HA      GLY  65   1.206  -7.689  -5.418
  400    HA3  GLY  65           2HA      GLY  65   2.961  -7.590  -5.722
  401    H    ARG  66           H        ARG  66   2.900 -10.619  -6.395
  402    HA   ARG  66           HA       ARG  66   2.175 -10.425  -9.207
  403    HB3  ARG  66           1HB      ARG  66   2.842 -12.915  -7.585
  404    HG3  ARG  66           1HG      ARG  66   3.016 -12.245 -10.562
  405    HD3  ARG  66           1HD      ARG  66   3.820 -14.812  -9.114
  406    HE   ARG  66           HE       ARG  66   4.621 -14.268 -11.881
  407   HH11  ARG  66          1HH1      ARG  66   2.146 -15.919  -9.936
  408   HH12  ARG  66          2HH1      ARG  66   1.686 -16.948 -11.257
  409   HH21  ARG  66          1HH2      ARG  66   3.941 -15.618 -13.534
  410   HH22  ARG  66          2HH2      ARG  66   2.684 -16.780 -13.255
  411    H    SER  67           H        SER  67   0.623 -11.773  -6.272
  412    HA   SER  67           HA       SER  67  -1.631 -12.963  -7.730
  413    HB3  SER  67           1HB      SER  67  -2.464 -13.491  -5.493
  414    HG   SER  67           HG       SER  67  -0.667 -14.787  -6.011
  415    H    PHE  68           H        PHE  68  -0.886  -9.803  -6.502
  416    HA   PHE  68           HA       PHE  68  -3.636  -8.813  -7.027
  417    HB3  PHE  68           1HB      PHE  68  -2.319  -6.555  -6.700
  418    HD1  PHE  68           HD2      PHE  68  -1.348  -8.803  -3.964
  419    HD2  PHE  68           HD1      PHE  68  -4.397  -6.239  -5.540
  420    HE1  PHE  68           HE2      PHE  68  -2.488  -8.837  -1.761
  421    HE2  PHE  68           HE1      PHE  68  -5.530  -6.195  -3.325
  422    HZ   PHE  68           HZ       PHE  68  -4.572  -7.495  -1.412
  423    H    GLN  69           H        GLN  69  -0.976  -9.702  -8.906
  424    HA   GLN  69           HA       GLN  69  -0.229  -9.294 -10.996
  425    HB3  GLN  69           1HB      GLN  69  -1.933  -8.815 -12.700
  426    HG3  GLN  69           1HG      GLN  69  -1.547 -11.114 -11.690
  427   HE21  GLN  69          2HE2      GLN  69  -4.363  -9.475 -10.113
  428   HE22  GLN  69          1HE2      GLN  69  -4.571 -10.820  -8.992
  429    H    VAL  70           H        VAL  70   0.648  -7.441  -9.342
  430    HA   VAL  70           HA       VAL  70   0.216  -4.703 -10.110
  431    HB   VAL  70           HB       VAL  70   2.398  -6.169  -8.602
  432   HG11  VAL  70          1HG1      VAL  70   3.591  -4.312  -9.559
  433   HG12  VAL  70          2HG1      VAL  70   2.283  -3.190  -9.159
  434   HG13  VAL  70          3HG1      VAL  70   3.260  -3.946  -7.876
  435   HG21  VAL  70          3HG2      VAL  70   0.171  -5.906  -7.508
  436   HG22  VAL  70          1HG2      VAL  70   1.442  -4.988  -6.690
  437   HG23  VAL  70          2HG2      VAL  70   0.278  -4.153  -7.739
  438    H    LYS  71           H        LYS  71   1.189  -3.413 -11.593
  439    HA   LYS  71           HA       LYS  71   2.578  -4.708 -13.848
  440    HB3  LYS  71           1HB      LYS  71   2.430  -2.048 -14.491
  441    HG3  LYS  71           1HG      LYS  71   1.507  -3.849 -15.809
  442    HD3  LYS  71           1HD      LYS  71   0.192  -5.118 -14.072
  443    HE3  LYS  71           1HE      LYS  71  -1.755  -2.782 -14.406
  444    HZ1  LYS  71           3HZ      LYS  71  -2.830  -4.966 -14.200
  445    HZ2  LYS  71           1HZ      LYS  71  -3.102  -4.077 -12.856
  446    HZ3  LYS  71           2HZ      LYS  71  -1.988  -5.291 -12.829
  447    H    LEU  72           H        LEU  72   3.449  -2.131 -11.520
  448    HA   LEU  72           HA       LEU  72   6.253  -2.113 -12.543
  449    HB3  LEU  72           1HB      LEU  72   4.981  -0.297 -10.457
  450    HG   LEU  72           HG       LEU  72   7.523  -0.133 -10.750
  451   HD11  LEU  72          1HD1      LEU  72   8.335   0.980 -12.828
  452   HD12  LEU  72          2HD1      LEU  72   6.731   0.760 -13.552
  453   HD13  LEU  72          3HD1      LEU  72   7.731  -0.655 -13.131
  454   HD21  LEU  72          3HD2      LEU  72   6.118   1.780  -9.979
  455   HD22  LEU  72          1HD2      LEU  72   5.906   2.269 -11.675
  456   HD23  LEU  72          2HD2      LEU  72   7.515   2.315 -10.936
  457    H    TRP  73           H        TRP  73   6.504  -1.196  -9.436
  458    HA   TRP  73           HA       TRP  73   6.202  -3.769  -8.090
  459    HB3  TRP  73           1HB      TRP  73   8.929  -2.473  -8.169
  460    HD1  TRP  73           HD       TRP  73   7.650  -6.072  -7.575
  461    HE1  TRP  73           HE1      TRP  73   8.774  -7.005  -5.474
  462    HE3  TRP  73           HE3      TRP  73  10.112  -1.853  -6.113
  463    HZ2  TRP  73           HZ2      TRP  73  10.716  -6.048  -3.477
  464    HZ3  TRP  73           HZ3      TRP  73  11.544  -1.870  -4.097
  465    HH2  TRP  73           HH       TRP  73  11.899  -3.957  -2.813
  466    HA   PRO  74           HA       PRO  74   6.608  -0.349  -4.846
  467    HB3  PRO  74           1HB      PRO  74   8.378   1.089  -5.188
  468    HG3  PRO  74           1HG      PRO  74   8.857   1.943  -7.407
  469    HD3  PRO  74           1HD      PRO  74   8.969  -0.411  -7.445
  470    H    THR  75           H        THR  75   4.457  -0.883  -4.847
  471    HA   THR  75           HA       THR  75   2.412   0.871  -6.123
  472    HB   THR  75           HB       THR  75   2.710  -2.130  -6.591
  473    HG1  THR  75           HG1      THR  75   3.685  -0.074  -7.822
  474   HG21  THR  75          3HG2      THR  75   0.733  -1.766  -8.145
  475   HG22  THR  75          1HG2      THR  75   0.467  -0.201  -7.364
  476   HG23  THR  75          2HG2      THR  75   0.337  -1.697  -6.419
  477    H    PHE  76           H        PHE  76   0.556   0.910  -4.959
  478    HA   PHE  76           HA       PHE  76   0.251  -0.997  -2.717
  479    HB3  PHE  76           1HB      PHE  76   1.117   0.653  -1.416
  480    HD1  PHE  76           HD1      PHE  76   2.868   1.721  -2.824
  481    HD2  PHE  76           HD2      PHE  76  -1.137   3.265  -2.444
  482    HE1  PHE  76           HE1      PHE  76   3.623   3.882  -3.771
  483    HE2  PHE  76           HE2      PHE  76  -0.350   5.457  -3.255
  484    HZ   PHE  76           HZ       PHE  76   2.002   5.745  -4.020
  485    H    VAL  77           H        VAL  77  -1.624  -1.816  -2.535
  486    HA   VAL  77           HA       VAL  77  -3.860  -0.887  -4.271
  487    HB   VAL  77           HB       VAL  77  -3.459  -3.610  -2.997
  488   HG11  VAL  77          1HG1      VAL  77  -5.857  -3.022  -3.503
  489   HG12  VAL  77          2HG1      VAL  77  -5.404  -2.669  -5.164
  490   HG13  VAL  77          3HG1      VAL  77  -5.270  -4.309  -4.547
  491   HG21  VAL  77          3HG2      VAL  77  -3.042  -2.764  -5.904
  492   HG22  VAL  77          1HG2      VAL  77  -1.740  -3.102  -4.763
  493   HG23  VAL  77          2HG2      VAL  77  -2.838  -4.388  -5.245
  494    H    PHE  78           H        PHE  78  -5.612  -0.011  -3.429
  495    HA   PHE  78           HA       PHE  78  -5.933   0.157  -0.479
  496    HB3  PHE  78           1HB      PHE  78  -7.773   1.727  -1.045
  497    HD1  PHE  78           HD2      PHE  78  -5.097   2.139  -3.613
  498    HD2  PHE  78           HD1      PHE  78  -6.504   3.384   0.267
  499    HE1  PHE  78           HE2      PHE  78  -3.310   3.829  -3.507
  500    HE2  PHE  78           HE1      PHE  78  -4.786   5.152   0.298
  501    HZ   PHE  78           HZ       PHE  78  -3.193   5.389  -1.620
  502    H    LEU  79           H        LEU  79  -7.023  -1.350   0.500
  503    HA   LEU  79           HA       LEU  79  -9.203  -2.835  -0.862
  504    HB3  LEU  79           1HB      LEU  79  -9.009  -4.281   1.268
  505    HG   LEU  79           HG       LEU  79  -6.918  -5.421   0.777
  506   HD11  LEU  79          1HD1      LEU  79  -9.061  -6.110  -0.219
  507   HD12  LEU  79          2HD1      LEU  79  -7.630  -6.578  -1.151
  508   HD13  LEU  79          3HD1      LEU  79  -8.600  -5.198  -1.680
  509   HD21  LEU  79          3HD2      LEU  79  -5.660  -4.993  -1.268
  510   HD22  LEU  79          1HD2      LEU  79  -5.673  -3.519  -0.277
  511   HD23  LEU  79          2HD2      LEU  79  -6.780  -3.665  -1.672
  512    H    ARG  80           H        ARG  80 -11.077  -3.136   0.250
  513    HA   ARG  80           HA       ARG  80 -11.711  -2.028   2.825
  514    HB3  ARG  80           1HB      ARG  80 -13.352  -0.743   0.630
  515    HG3  ARG  80           1HG      ARG  80 -12.791  -0.125   3.567
  516    HD3  ARG  80           1HD      ARG  80 -14.327   1.579   1.559
  517    HE   ARG  80           HE       ARG  80 -14.881   1.458   4.179
  518   HH11  ARG  80          1HH1      ARG  80 -13.089   4.045   2.472
  519   HH12  ARG  80          2HH1      ARG  80 -13.591   5.225   3.638
  520   HH21  ARG  80          1HH2      ARG  80 -15.461   3.083   5.601
  521   HH22  ARG  80          2HH2      ARG  80 -14.866   4.700   5.362
  522    H    ASP  81           H        ASP  81 -13.304  -3.178   3.719
  523    HA   ASP  81           HA       ASP  81 -14.642  -4.992   4.098
  524    HB3  ASP  81           1HB      ASP  81 -15.801  -4.573   1.327
  525    H    GLY  82           H        GLY  82 -12.036  -5.458   2.907
  526    HA2  GLY  82           1HA      GLY  82 -10.744  -7.298   2.295
  527    HA3  GLY  82           2HA      GLY  82 -12.235  -8.265   2.190
  528    H    ARG  83           H        ARG  83 -12.522  -5.524   0.214
  529    HA   ARG  83           HA       ARG  83 -11.825  -7.049  -2.250
  530    HB3  ARG  83           1HB      ARG  83 -13.879  -4.818  -1.942
  531    HG3  ARG  83           1HG      ARG  83 -13.778  -7.112  -3.934
  532    HD3  ARG  83           1HD      ARG  83 -15.087  -4.352  -4.088
  533    HE   ARG  83           HE       ARG  83 -16.074  -6.488  -5.788
  534   HH11  ARG  83          1HH1      ARG  83 -13.513  -3.986  -5.759
  535   HH12  ARG  83          2HH1      ARG  83 -13.558  -3.863  -7.482
  536   HH21  ARG  83          1HH2      ARG  83 -15.998  -6.276  -7.989
  537   HH22  ARG  83          2HH2      ARG  83 -14.890  -5.164  -8.734
  538    H    GLU  84           H        GLU  84 -10.586  -5.940  -3.769
  539    HA   GLU  84           HA       GLU  84  -9.207  -3.487  -3.104
  540    HB3  GLU  84           1HB      GLU  84  -9.541  -4.975  -5.725
  541    HG3  GLU  84           1HG      GLU  84  -7.921  -2.470  -5.147
  542    H    VAL  85           H        VAL  85  -9.883  -1.485  -3.157
  543    HA   VAL  85           HA       VAL  85 -12.332  -0.727  -4.718
  544    HB   VAL  85           HB       VAL  85 -12.294   1.366  -3.346
  545   HG11  VAL  85          1HG1      VAL  85 -13.369   0.354  -1.430
  546   HG12  VAL  85          2HG1      VAL  85 -13.800  -0.549  -2.893
  547   HG13  VAL  85          3HG1      VAL  85 -12.597  -1.211  -1.774
  548   HG21  VAL  85          3HG2      VAL  85 -10.416  -0.125  -1.469
  549   HG22  VAL  85          1HG2      VAL  85  -9.872   1.185  -2.538
  550   HG23  VAL  85          2HG2      VAL  85 -11.083   1.499  -1.265
  551    H    ALA  86           H        ALA  86  -8.897  -0.276  -4.492
  552    HA   ALA  86           HA       ALA  86  -8.662   0.959  -7.078
  553    HB1  ALA  86           3HB      ALA  86  -9.419   2.991  -5.855
  554    HB2  ALA  86           1HB      ALA  86  -8.180   2.698  -4.600
  555    HB3  ALA  86           2HB      ALA  86  -7.717   3.153  -6.256
  556    H    ARG  87           H        ARG  87  -6.306   1.853  -7.273
  557    HA   ARG  87           HA       ARG  87  -4.429   1.127  -5.237
  558    HB3  ARG  87           1HB      ARG  87  -4.602  -1.052  -6.310
  559    HG3  ARG  87           1HG      ARG  87  -3.581   0.403  -8.796
  560    HD3  ARG  87           1HD      ARG  87  -2.472  -1.768  -8.077
  561    HE   ARG  87           HE       ARG  87  -5.174  -2.743  -8.108
  562   HH11  ARG  87          1HH1      ARG  87  -2.014  -3.785  -9.368
  563   HH12  ARG  87          2HH1      ARG  87  -2.497  -5.466  -9.347
  564   HH21  ARG  87          1HH2      ARG  87  -5.632  -4.895  -7.997
  565   HH22  ARG  87          2HH2      ARG  87  -4.461  -6.073  -8.589
  566    H    VAL  88           H        VAL  88  -2.381   2.034  -5.560
  567    HA   VAL  88           HA       VAL  88  -2.110   4.061  -7.771
  568    HB   VAL  88           HB       VAL  88  -1.503   4.362  -4.837
  569   HG11  VAL  88          1HG1      VAL  88   0.321   5.504  -6.054
  570   HG12  VAL  88          2HG1      VAL  88  -0.870   6.330  -7.089
  571   HG13  VAL  88          3HG1      VAL  88  -0.762   6.716  -5.362
  572   HG21  VAL  88          3HG2      VAL  88  -3.036   6.133  -4.690
  573   HG22  VAL  88          1HG2      VAL  88  -3.325   6.137  -6.456
  574   HG23  VAL  88          2HG2      VAL  88  -3.882   4.785  -5.455
  575    H    VAL  89           H        VAL  89  -0.060   4.348  -8.568
  576    HA   VAL  89           HA       VAL  89   2.178   2.657  -7.583
  577    HB   VAL  89           HB       VAL  89   1.177   1.210  -9.172
  578   HG11  VAL  89          1HG1      VAL  89   1.013   3.485 -11.180
  579   HG12  VAL  89          2HG1      VAL  89   0.664   1.773 -11.494
  580   HG13  VAL  89          3HG1      VAL  89  -0.346   2.662 -10.359
  581   HG21  VAL  89          3HG2      VAL  89   3.376   2.596 -10.753
  582   HG22  VAL  89          1HG2      VAL  89   3.678   1.504  -9.392
  583   HG23  VAL  89          2HG2      VAL  89   2.862   0.908 -10.849
  584    H    ARG  90           H        ARG  90   4.216   3.447  -8.098
  585    HA   ARG  90           HA       ARG  90   5.701   5.022  -8.094
  586    HB3  ARG  90           1HB      ARG  90   4.730   5.648 -10.883
  587    HG3  ARG  90           1HG      ARG  90   6.855   6.665 -10.316
  588    HD3  ARG  90           1HD      ARG  90   7.558   3.972  -9.154
  589    HE   ARG  90           HE       ARG  90   9.693   4.037  -9.885
  590   HH11  ARG  90          1HH1      ARG  90   8.680   7.434 -10.010
  591   HH12  ARG  90          2HH1      ARG  90  10.257   7.945 -10.533
  592   HH21  ARG  90          1HH2      ARG  90  11.607   4.731 -10.476
  593   HH22  ARG  90          2HH2      ARG  90  11.900   6.416 -10.848
  594    HA   PRO  91           HA       PRO  91   2.426   8.205  -6.997
  595    HB3  PRO  91           1HB      PRO  91   2.453   7.698  -4.863
  596    HG3  PRO  91           1HG      PRO  91   4.380   6.720  -3.820
  597    HD3  PRO  91           1HD      PRO  91   3.952   5.492  -5.810
  598    H    GLY  92           H        GLY  92   5.915   9.124  -6.602
  599    HA2  GLY  92           1HA      GLY  92   7.062  10.920  -7.498
  600    HA3  GLY  92           2HA      GLY  92   5.569  11.466  -8.295
  601    H    SER  93           H        SER  93   3.834  12.134  -6.387
  602    HA   SER  93           HA       SER  93   5.150  13.987  -4.453
  603    HB3  SER  93           1HB      SER  93   3.800  15.871  -5.349
  604    HG   SER  93           HG       SER  93   5.936  15.662  -6.203
  605    H    ALA  94           H        ALA  94   3.871  14.492  -2.680
  606    HA   ALA  94           HA       ALA  94   1.797  12.834  -1.792
  607    HB1  ALA  94           3HB      ALA  94   1.465  14.535  -0.071
  608    HB2  ALA  94           1HB      ALA  94   3.189  14.270  -0.357
  609    HB3  ALA  94           2HB      ALA  94   2.378  15.723  -1.029
  610    H    SER  95           H        SER  95   1.426  15.865  -3.675
  611    HA   SER  95           HA       SER  95  -1.344  16.157  -3.497
  612    HB3  SER  95           1HB      SER  95  -1.193  17.387  -5.569
  613    HG   SER  95           HG       SER  95   0.627  18.720  -5.100
  614    H    VAL  96           H        VAL  96   0.402  13.689  -5.422
  615    HA   VAL  96           HA       VAL  96  -2.060  12.926  -6.908
  616    HB   VAL  96           HB       VAL  96   0.755  11.748  -6.904
  617   HG11  VAL  96          1HG1      VAL  96   0.067  10.621  -9.023
  618   HG12  VAL  96          2HG1      VAL  96  -0.833  10.036  -7.622
  619   HG13  VAL  96          3HG1      VAL  96  -1.601  11.173  -8.756
  620   HG21  VAL  96          3HG2      VAL  96   1.010  12.838  -9.118
  621   HG22  VAL  96          1HG2      VAL  96  -0.601  13.592  -8.931
  622   HG23  VAL  96          2HG2      VAL  96   0.735  14.034  -7.852
  623    H    LEU  97           H        LEU  97   0.030  11.731  -4.287
  624    HA   LEU  97           HA       LEU  97  -1.370   9.201  -3.967
  625    HB3  LEU  97           1HB      LEU  97   0.129  10.272  -1.686
  626    HG   LEU  97           HG       LEU  97   0.591   7.928  -3.576
  627   HD11  LEU  97          1HD1      LEU  97   1.903   8.404  -0.877
  628   HD12  LEU  97          2HD1      LEU  97   2.694   8.608  -2.457
  629   HD13  LEU  97          3HD1      LEU  97   2.120   7.015  -1.979
  630   HD21  LEU  97          3HD2      LEU  97  -0.222   6.653  -1.522
  631   HD22  LEU  97          1HD2      LEU  97  -1.447   7.623  -2.332
  632   HD23  LEU  97          2HD2      LEU  97  -0.692   8.201  -0.821
  633    H    GLU  98           H        GLU  98  -1.510  12.322  -2.170
  634    HA   GLU  98           HA       GLU  98  -3.520  11.548  -0.335
  635    HB3  GLU  98           1HB      GLU  98  -4.007  13.940  -0.124
  636    HG3  GLU  98           1HG      GLU  98  -1.025  13.487  -0.040
  637    H    GLU  99           H        GLU  99  -3.794  12.912  -3.642
  638    HA   GLU  99           HA       GLU  99  -6.578  13.348  -3.753
  639    HB3  GLU  99           1HB      GLU  99  -4.495  12.560  -5.830
  640    HG3  GLU  99           1HG      GLU  99  -7.413  13.162  -6.253
  641    H    ALA 100           H        ALA 100  -4.727  10.325  -4.227
  642    HA   ALA 100           HA       ALA 100  -7.149   8.774  -4.826
  643    HB1  ALA 100           3HB      ALA 100  -4.329   7.926  -4.045
  644    HB2  ALA 100           1HB      ALA 100  -5.607   6.843  -4.640
  645    HB3  ALA 100           2HB      ALA 100  -4.955   8.113  -5.699
  646    H    PHE 101           H        PHE 101  -5.146   9.382  -1.881
  647    HA   PHE 101           HA       PHE 101  -6.418   7.469  -0.214
  648    HB3  PHE 101           1HB      PHE 101  -5.815   9.448   1.519
  649    HD1  PHE 101           HD1      PHE 101  -3.330   7.760  -0.873
  650    HD2  PHE 101           HD2      PHE 101  -5.085   7.934   3.091
  651    HE1  PHE 101           HE1      PHE 101  -1.691   6.160  -0.039
  652    HE2  PHE 101           HE2      PHE 101  -3.366   6.340   3.892
  653    HZ   PHE 101           HZ       PHE 101  -1.609   5.537   2.289
  654    H    GLU 102           H        GLU 102  -7.189  10.961  -0.608
  655    HA   GLU 102           HA       GLU 102  -9.487  10.943   1.081
  656    HB3  GLU 102           1HB      GLU 102  -8.560  13.021   0.525
  657    HG3  GLU 102           1HG      GLU 102  -8.365  12.188  -2.175
  658    H    SER 103           H        SER 103  -9.162  10.031  -2.339
  659    HA   SER 103           HA       SER 103 -11.994   9.821  -2.815
  660    HB3  SER 103           1HB      SER 103  -9.817   8.254  -4.245
  661    HG   SER 103           HG       SER 103 -11.972   7.811  -4.933
  662    H    LEU 104           H        LEU 104  -9.659   7.594  -1.356
  663    HA   LEU 104           HA       LEU 104 -11.692   5.396  -1.379
  664    HB3  LEU 104           1HB      LEU 104  -9.735   4.028  -0.503
  665    HG   LEU 104           HG       LEU 104  -8.853   3.462  -2.499
  666   HD11  LEU 104          1HD1      LEU 104 -10.607   3.422  -4.126
  667   HD12  LEU 104          2HD1      LEU 104 -11.260   4.976  -3.591
  668   HD13  LEU 104          3HD1      LEU 104 -11.420   3.523  -2.567
  669   HD21  LEU 104          3HD2      LEU 104  -9.208   6.251  -3.607
  670   HD22  LEU 104          1HD2      LEU 104  -8.498   4.909  -4.467
  671   HD23  LEU 104          2HD2      LEU 104  -7.664   5.520  -3.048
  672    H    VAL 105           H        VAL 105 -10.143   7.539   0.886
  673    HA   VAL 105           HA       VAL 105 -11.158   6.209   3.234
  674    HB   VAL 105           HB       VAL 105  -9.330   8.150   2.933
  675   HG11  VAL 105          1HG1      VAL 105 -10.053  10.331   3.603
  676   HG12  VAL 105          2HG1      VAL 105 -11.005   9.872   2.191
  677   HG13  VAL 105          3HG1      VAL 105 -11.721   9.788   3.817
  678   HG21  VAL 105          3HG2      VAL 105  -9.833   6.849   4.961
  679   HG22  VAL 105          1HG2      VAL 105  -9.403   8.538   5.287
  680   HG23  VAL 105          2HG2      VAL 105 -11.102   8.015   5.381
  681    H    GLY 106           H        GLY 106 -12.557   8.349   0.855
  682    HA2  GLY 106           1HA      GLY 106 -14.891   8.383   0.425
  683    HA3  GLY 106           2HA      GLY 106 -15.235   8.195   2.163
  684    H    GLU 107           H        GLU 107 -12.861  10.444   2.145
  685    HA   GLU 107           HA       GLU 107 -14.630  12.646   2.700
  686    HB3  GLU 107           1HB      GLU 107 -12.337  13.904   2.701
  687    HG3  GLU 107           1HG      GLU 107 -11.613  12.805   4.835
  688    H    GLY 108           H        GLY 108 -13.021  11.598  -0.229
  689    HA2  GLY 108           1HA      GLY 108 -13.603  14.093  -1.712
  690    HA3  GLY 108           2HA      GLY 108 -12.829  12.614  -2.306
  Start of MODEL   19
    1    H1   MET   1           H        MET   1   3.170   5.105  11.041
    2    HA   MET   1           HA       MET   1   3.847   3.304   9.662
    3    HB3  MET   1           1HB      MET   1   3.501   4.053   7.287
    4    HG3  MET   1           1HG      MET   1   1.265   4.980   7.542
    5    HE1  MET   1           3HE      MET   1  -1.130   2.551   9.399
    6    HE2  MET   1           1HE      MET   1  -0.712   4.218   9.821
    7    HE3  MET   1           2HE      MET   1  -0.985   3.773   8.124
    8    H    LYS   2           H        LYS   2   6.208   5.544  10.232
    9    HA   LYS   2           HA       LYS   2   8.006   5.246   8.062
   10    HB3  LYS   2           1HB      LYS   2   7.955   7.138   9.629
   11    HG3  LYS   2           1HG      LYS   2   9.271   5.227  11.627
   12    HD3  LYS   2           1HD      LYS   2   8.671   8.216  11.802
   13    HE3  LYS   2           1HE      LYS   2   9.939   6.272  13.789
   14    HZ1  LYS   2           3HZ      LYS   2   9.958   8.214  15.233
   15    HZ2  LYS   2           1HZ      LYS   2   9.376   9.170  14.051
   16    HZ3  LYS   2           2HZ      LYS   2  10.864   8.511  13.909
   17    H    THR   3           H        THR   3   7.414   2.814  10.343
   18    HA   THR   3           HA       THR   3  10.052   1.703  10.699
   19    HB   THR   3           HB       THR   3   8.706  -0.327  11.474
   20    HG1  THR   3           HG1      THR   3   6.470   0.140  11.745
   21   HG21  THR   3          3HG2      THR   3   9.452   1.472  13.026
   22   HG22  THR   3          1HG2      THR   3   7.895   0.756  13.496
   23   HG23  THR   3          2HG2      THR   3   7.930   2.349  12.713
   24    H    ARG   4           H        ARG   4  10.697  -0.448  10.019
   25    HA   ARG   4           HA       ARG   4  10.872  -0.593   7.213
   26    HB3  ARG   4           1HB      ARG   4  12.602  -1.308   8.856
   27    HG3  ARG   4           1HG      ARG   4  12.758  -3.617   9.555
   28    HD3  ARG   4           1HD      ARG   4  11.054  -3.920  11.257
   29    HE   ARG   4           HE       ARG   4  12.670  -1.649  11.185
   30   HH11  ARG   4          1HH1      ARG   4   9.694  -2.619  12.844
   31   HH12  ARG   4          2HH1      ARG   4   9.989  -1.550  14.183
   32   HH21  ARG   4          1HH2      ARG   4  12.935  -0.222  12.909
   33   HH22  ARG   4          2HH2      ARG   4  11.785  -0.202  14.206
   34    H    TYR   5           H        TYR   5  10.516  -2.425   5.827
   35    HA   TYR   5           HA       TYR   5   7.814  -3.344   5.687
   36    HB3  TYR   5           1HB      TYR   5   8.929  -4.821   3.822
   37    HD1  TYR   5           HD1      TYR   5  10.285  -1.352   3.826
   38    HD2  TYR   5           HD2      TYR   5   7.126  -3.986   2.602
   39    HE1  TYR   5           HE1      TYR   5   9.459   0.386   2.242
   40    HE2  TYR   5           HE2      TYR   5   6.240  -2.226   1.057
   41    HH   TYR   5           HH       TYR   5   6.651  -0.141   0.100
   42    H    SER   6           H        SER   6   7.080  -5.625   5.410
   43    HA   SER   6           HA       SER   6   8.731  -7.587   6.945
   44    HB3  SER   6           1HB      SER   6   5.712  -7.358   7.032
   45    HG   SER   6           HG       SER   6   6.090  -8.931   8.776
   46    H    ALA   7           H        ALA   7   9.132  -9.485   6.015
   47    HA   ALA   7           HA       ALA   7   7.952 -10.224   3.438
   48    HB1  ALA   7           3HB      ALA   7   9.873 -11.706   5.304
   49    HB2  ALA   7           1HB      ALA   7   9.503 -12.120   3.619
   50    HB3  ALA   7           2HB      ALA   7  10.345 -10.609   3.968
   51    H    GLU   8           H        GLU   8   7.036 -10.690   6.709
   52    HA   GLU   8           HA       GLU   8   5.708 -13.295   6.278
   53    HB3  GLU   8           1HB      GLU   8   5.293 -13.199   8.710
   54    HG3  GLU   8           1HG      GLU   8   8.209 -12.573   8.065
   55    H    ALA   9           H        ALA   9   4.656 -11.261   4.697
   56    HA   ALA   9           HA       ALA   9   2.253 -10.086   5.763
   57    HB1  ALA   9           3HB      ALA   9   3.092 -10.764   2.904
   58    HB2  ALA   9           1HB      ALA   9   1.708  -9.756   3.340
   59    HB3  ALA   9           2HB      ALA   9   3.353  -9.211   3.750
   60    HA   PRO  10           HA       PRO  10  -0.646 -13.487   5.625
   61    HB3  PRO  10           1HB      PRO  10  -2.226 -11.994   6.430
   62    HG3  PRO  10           1HG      PRO  10  -2.390  -9.747   5.518
   63    HD3  PRO  10           1HD      PRO  10  -0.213 -10.123   6.414
   64    H    ALA  11           H        ALA  11  -1.930 -14.805   4.195
   65    HA   ALA  11           HA       ALA  11  -1.161 -14.705   1.359
   66    HB1  ALA  11           3HB      ALA  11  -2.589 -16.733   1.197
   67    HB2  ALA  11           1HB      ALA  11  -1.470 -16.872   2.557
   68    HB3  ALA  11           2HB      ALA  11  -3.167 -16.452   2.868
   69    H    ARG  12           H        ARG  12  -2.662 -14.440  -0.401
   70    HA   ARG  12           HA       ARG  12  -4.351 -12.202  -0.052
   71    HB3  ARG  12           1HB      ARG  12  -4.631 -14.002  -2.458
   72    HG3  ARG  12           1HG      ARG  12  -4.470 -10.988  -1.947
   73    HD3  ARG  12           1HD      ARG  12  -4.730 -12.459  -4.593
   74    HE   ARG  12           HE       ARG  12  -4.260  -9.530  -4.185
   75   HH11  ARG  12          1HH1      ARG  12  -6.404 -12.001  -5.572
   76   HH12  ARG  12          2HH1      ARG  12  -7.310 -10.821  -6.474
   77   HH21  ARG  12          1HH2      ARG  12  -5.499  -8.086  -5.330
   78   HH22  ARG  12          2HH2      ARG  12  -6.819  -8.638  -6.318
   79    H    ASP  13           H        ASP  13  -5.105 -15.602   0.086
   80    HA   ASP  13           HA       ASP  13  -7.978 -15.466   0.156
   81    HB3  ASP  13           1HB      ASP  13  -6.082 -17.415   1.495
   82    H    GLU  14           H        GLU  14  -5.517 -14.875   2.685
   83    HA   GLU  14           HA       GLU  14  -7.479 -14.842   4.864
   84    HB3  GLU  14           1HB      GLU  14  -5.528 -14.049   6.182
   85    HG3  GLU  14           1HG      GLU  14  -4.899 -16.513   4.514
   86    H    LEU  15           H        LEU  15  -5.645 -12.577   2.832
   87    HA   LEU  15           HA       LEU  15  -6.449 -10.080   3.954
   88    HB3  LEU  15           1HB      LEU  15  -5.572 -11.017   1.203
   89    HG   LEU  15           HG       LEU  15  -5.534  -8.184   2.282
   90   HD11  LEU  15          1HD1      LEU  15  -3.237  -8.822   1.657
   91   HD12  LEU  15          2HD1      LEU  15  -3.906  -7.746   0.425
   92   HD13  LEU  15          3HD1      LEU  15  -3.822  -9.476   0.115
   93   HD21  LEU  15          3HD2      LEU  15  -7.432  -8.555   0.792
   94   HD22  LEU  15          1HD2      LEU  15  -6.412  -9.454  -0.366
   95   HD23  LEU  15          2HD2      LEU  15  -6.196  -7.712  -0.128
   96    H    ASP  16           H        ASP  16  -8.071 -12.273   1.656
   97    HA   ASP  16           HA       ASP  16 -10.133 -10.523   0.743
   98    HB3  ASP  16           1HB      ASP  16  -9.970 -13.548   1.084
   99    H    ARG  17           H        ARG  17  -9.658 -11.993   3.833
  100    HA   ARG  17           HA       ARG  17 -12.452 -11.954   4.672
  101    HB3  ARG  17           1HB      ARG  17 -11.613 -12.746   6.780
  102    HG3  ARG  17           1HG      ARG  17 -10.055 -14.617   6.222
  103    HD3  ARG  17           1HD      ARG  17 -12.460 -15.014   5.934
  104    HE   ARG  17           HE       ARG  17 -11.973 -14.152   3.098
  105   HH11  ARG  17          1HH1      ARG  17 -14.364 -15.201   5.503
  106   HH12  ARG  17          2HH1      ARG  17 -15.697 -14.812   4.468
  107   HH21  ARG  17          1HH2      ARG  17 -13.705 -13.741   1.816
  108   HH22  ARG  17          2HH2      ARG  17 -15.333 -13.972   2.407
  109    H    LEU  18           H        LEU  18 -10.002  -9.558   4.449
  110    HA   LEU  18           HA       LEU  18 -10.658  -8.054   6.825
  111    HB3  LEU  18           1HB      LEU  18  -8.536  -7.902   5.529
  112    HG   LEU  18           HG       LEU  18  -9.616  -7.247   3.222
  113   HD11  LEU  18          1HD1      LEU  18 -11.001  -5.342   3.804
  114   HD12  LEU  18          2HD1      LEU  18  -9.631  -4.740   2.882
  115   HD13  LEU  18          3HD1      LEU  18  -9.650  -4.559   4.651
  116   HD21  LEU  18          3HD2      LEU  18  -7.311  -5.618   4.382
  117   HD22  LEU  18          1HD2      LEU  18  -7.590  -5.961   2.656
  118   HD23  LEU  18          2HD2      LEU  18  -7.166  -7.269   3.765
  119    H    ALA  19           H        ALA  19 -11.526  -5.766   6.801
  120    HA   ALA  19           HA       ALA  19 -13.851  -5.450   4.937
  121    HB1  ALA  19           3HB      ALA  19 -14.642  -6.615   6.938
  122    HB2  ALA  19           1HB      ALA  19 -13.996  -5.317   7.973
  123    HB3  ALA  19           2HB      ALA  19 -15.317  -4.979   6.845
  124    H    GLY  20           H        GLY  20 -11.913  -3.759   7.461
  125    HA2  GLY  20           1HA      GLY  20 -12.924  -1.164   6.701
  126    HA3  GLY  20           2HA      GLY  20 -11.560  -1.475   7.788
  127    HA   PRO  21           HA       PRO  21 -10.207   0.206   3.543
  128    HB3  PRO  21           1HB      PRO  21 -10.984   2.350   3.788
  129    HG3  PRO  21           1HG      PRO  21 -11.358   3.311   5.947
  130    HD3  PRO  21           1HD      PRO  21 -12.522   1.228   5.976
  131    H    THR  22           H        THR  22  -8.464  -0.972   3.237
  132    HA   THR  22           HA       THR  22  -6.055  -0.648   5.032
  133    HB   THR  22           HB       THR  22  -7.065  -3.233   3.777
  134    HG1  THR  22           HG1      THR  22  -8.323  -2.578   5.518
  135   HG21  THR  22          3HG2      THR  22  -4.602  -3.221   4.023
  136   HG22  THR  22          1HG2      THR  22  -5.328  -4.264   5.239
  137   HG23  THR  22          2HG2      THR  22  -4.743  -2.646   5.690
  138    H    LEU  23           H        LEU  23  -4.409   0.184   3.918
  139    HA   LEU  23           HA       LEU  23  -4.216  -0.216   0.997
  140    HB3  LEU  23           1HB      LEU  23  -2.497   1.399   2.920
  141    HG   LEU  23           HG       LEU  23  -1.239   0.994   0.877
  142   HD11  LEU  23          1HD1      LEU  23  -2.615   0.383  -0.812
  143   HD12  LEU  23          2HD1      LEU  23  -2.409   2.068  -1.279
  144   HD13  LEU  23          3HD1      LEU  23  -3.874   1.576  -0.410
  145   HD21  LEU  23          3HD2      LEU  23  -0.922   3.261   0.114
  146   HD22  LEU  23          1HD2      LEU  23  -1.122   3.215   1.871
  147   HD23  LEU  23          2HD2      LEU  23  -2.471   3.751   0.847
  148    H    VAL  24           H        VAL  24  -2.885  -1.680   0.082
  149    HA   VAL  24           HA       VAL  24  -0.875  -3.149   1.777
  150    HB   VAL  24           HB       VAL  24  -2.349  -4.154  -0.696
  151   HG11  VAL  24          1HG1      VAL  24  -0.597  -5.627   1.315
  152   HG12  VAL  24          2HG1      VAL  24  -1.435  -6.351  -0.073
  153   HG13  VAL  24          3HG1      VAL  24  -0.114  -5.199  -0.334
  154   HG21  VAL  24          3HG2      VAL  24  -3.939  -3.924   1.192
  155   HG22  VAL  24          1HG2      VAL  24  -3.612  -5.616   0.859
  156   HG23  VAL  24          2HG2      VAL  24  -2.821  -4.828   2.245
  157    H    GLU  25           H        GLU  25   1.085  -2.531   1.414
  158    HA   GLU  25           HA       GLU  25   1.828  -1.275  -1.172
  159    HB3  GLU  25           1HB      GLU  25   2.867  -0.935   1.658
  160    HG3  GLU  25           1HG      GLU  25   3.672   0.629  -0.821
  161    H    PHE  26           H        PHE  26   3.355  -2.123  -2.414
  162    HA   PHE  26           HA       PHE  26   4.953  -4.429  -1.436
  163    HB3  PHE  26           1HB      PHE  26   5.132  -5.005  -3.804
  164    HD1  PHE  26           HD2      PHE  26   3.910  -6.785  -2.454
  165    HD2  PHE  26           HD1      PHE  26   1.864  -3.418  -4.212
  166    HE1  PHE  26           HE2      PHE  26   1.713  -7.891  -2.061
  167    HE2  PHE  26           HE1      PHE  26  -0.317  -4.556  -3.839
  168    HZ   PHE  26           HZ       PHE  26  -0.379  -6.751  -2.718
  169    H    GLY  27           H        GLY  27   7.119  -4.206  -1.178
  170    HA2  GLY  27           1HA      GLY  27   8.899  -2.586  -2.689
  171    HA3  GLY  27           2HA      GLY  27   8.357  -1.670  -1.311
  172    H    THR  28           H        THR  28  10.637  -1.689  -0.712
  173    HA   THR  28           HA       THR  28  11.151  -3.706   1.336
  174    HB   THR  28           HB       THR  28  13.496  -4.031   0.773
  175    HG1  THR  28           HG1      THR  28  14.208  -3.370  -1.324
  176   HG21  THR  28          3HG2      THR  28  11.838  -4.815  -1.643
  177   HG22  THR  28          1HG2      THR  28  11.893  -5.704  -0.109
  178   HG23  THR  28          2HG2      THR  28  13.350  -5.556  -1.100
  179    H    ASP  29           H        ASP  29  13.163  -2.886   2.671
  180    HA   ASP  29           HA       ASP  29  12.578  -0.041   3.200
  181    HB3  ASP  29           1HB      ASP  29  14.425  -1.900   4.731
  182    H    TRP  30           H        TRP  30  14.533  -1.524   1.048
  183    HA   TRP  30           HA       TRP  30  16.850   0.339   1.346
  184    HB3  TRP  30           1HB      TRP  30  17.481  -1.752   2.217
  185    HD1  TRP  30           HD       TRP  30  16.098  -3.898   2.637
  186    HE1  TRP  30           HE1      TRP  30  15.512  -5.987   1.275
  187    HE3  TRP  30           HE3      TRP  30  17.665  -2.299  -1.970
  188    HZ2  TRP  30           HZ2      TRP  30  15.581  -6.803  -1.501
  189    HZ3  TRP  30           HZ3      TRP  30  17.403  -3.751  -3.941
  190    HH2  TRP  30           HH       TRP  30  16.346  -5.999  -3.745
  191    H    CYS  31           H        CYS  31  14.493  -0.819  -1.002
  192    HA   CYS  31           HA       CYS  31  16.129  -0.221  -3.322
  193    HB2  CYS  31           1HB      CYS  31  14.219  -1.724  -3.464
  194    HB3  CYS  31           2HB      CYS  31  13.118  -0.416  -3.003
  195    H    GLY  32           H        GLY  32  16.190   1.618  -4.576
  196    HA2  GLY  32           1HA      GLY  32  15.985   4.220  -3.326
  197    HA3  GLY  32           2HA      GLY  32  16.340   3.885  -5.023
  198    H    HIS  33           H        HIS  33  13.710   2.369  -5.381
  199    HA   HIS  33           HA       HIS  33  11.871   4.555  -5.907
  200    HB2  HIS  33           1HB      HIS  33  11.321   1.576  -5.408
  201    HB3  HIS  33           2HB      HIS  33  10.217   2.731  -6.114
  202    HD1  HIS  33           HD1      HIS  33  12.678   0.193  -7.079
  203    HD2  HIS  33           HD2      HIS  33  11.011   3.720  -8.637
  204    HE1  HIS  33           HE1      HIS  33  12.778  -0.028  -9.638
  205    H    CYS  34           H        CYS  34  12.166   2.160  -3.287
  206    HA   CYS  34           HA       CYS  34   9.905   3.048  -1.758
  207    HB3  CYS  34           1HB      CYS  34  11.341   1.752   0.050
  208    HG   CYS  34           HG       CYS  34  10.241   0.635  -2.925
  209    H    GLN  35           H        GLN  35  13.332   4.028  -1.694
  210    HA   GLN  35           HA       GLN  35  13.138   5.399   0.796
  211    HB3  GLN  35           1HB      GLN  35  15.141   6.674   0.105
  212    HG3  GLN  35           1HG      GLN  35  16.718   4.982  -0.379
  213   HE21  GLN  35          2HE2      GLN  35  14.707   2.307  -0.048
  214   HE22  GLN  35          1HE2      GLN  35  14.883   2.143   1.707
  215    H    ALA  36           H        ALA  36  12.000   6.255  -2.340
  216    HA   ALA  36           HA       ALA  36  11.444   9.096  -1.705
  217    HB1  ALA  36           3HB      ALA  36  10.927   7.394  -4.192
  218    HB2  ALA  36           1HB      ALA  36  10.654   9.143  -4.042
  219    HB3  ALA  36           2HB      ALA  36  12.302   8.489  -3.934
  220    H    ALA  37           H        ALA  37   9.634   6.007  -2.203
  221    HA   ALA  37           HA       ALA  37   7.055   7.358  -1.953
  222    HB1  ALA  37           3HB      ALA  37   7.393   5.480  -3.481
  223    HB2  ALA  37           1HB      ALA  37   7.742   4.404  -2.101
  224    HB3  ALA  37           2HB      ALA  37   6.120   5.148  -2.294
  225    H    GLN  38           H        GLN  38   9.165   5.553   0.264
  226    HA   GLN  38           HA       GLN  38   7.263   4.906   2.292
  227    HB3  GLN  38           1HB      GLN  38   9.380   5.092   3.784
  228    HG3  GLN  38           1HG      GLN  38   9.369   3.166   1.421
  229   HE21  GLN  38          2HE2      GLN  38   9.774   2.179   4.787
  230   HE22  GLN  38          1HE2      GLN  38  11.490   1.807   4.654
  231    HA   PRO  39           HA       PRO  39   7.978   9.064   4.481
  232    HB3  PRO  39           1HB      PRO  39  10.113   9.922   4.169
  233    HG3  PRO  39           1HG      PRO  39  11.202   9.796   2.038
  234    HD3  PRO  39           1HD      PRO  39  10.614   7.603   2.647
  235    H    LEU  40           H        LEU  40   7.145   8.759   1.106
  236    HA   LEU  40           HA       LEU  40   5.391  11.067   0.884
  237    HB3  LEU  40           1HB      LEU  40   4.725   8.643  -0.714
  238    HG   LEU  40           HG       LEU  40   4.837   9.906  -2.591
  239   HD11  LEU  40          1HD1      LEU  40   3.400  11.687  -2.282
  240   HD12  LEU  40          2HD1      LEU  40   4.103  12.161  -0.723
  241   HD13  LEU  40          3HD1      LEU  40   3.090  10.716  -0.840
  242   HD21  LEU  40          3HD2      LEU  40   6.546  11.991  -1.172
  243   HD22  LEU  40          1HD2      LEU  40   5.950  12.083  -2.855
  244   HD23  LEU  40          2HD2      LEU  40   7.085  10.807  -2.383
  245    H    LEU  41           H        LEU  41   4.838   7.570   1.356
  246    HA   LEU  41           HA       LEU  41   2.054   7.754   1.944
  247    HB3  LEU  41           1HB      LEU  41   2.647   5.502   3.253
  248    HG   LEU  41           HG       LEU  41   2.478   4.149   1.365
  249   HD11  LEU  41          1HD1      LEU  41   0.922   6.644   0.631
  250   HD12  LEU  41          2HD1      LEU  41   0.464   5.448   1.861
  251   HD13  LEU  41          3HD1      LEU  41   0.579   4.969   0.146
  252   HD21  LEU  41          3HD2      LEU  41   3.489   6.471  -0.288
  253   HD22  LEU  41          1HD2      LEU  41   2.785   4.986  -0.967
  254   HD23  LEU  41          2HD2      LEU  41   4.265   4.914  -0.003
  255    H    ALA  42           H        ALA  42   4.897   7.809   4.072
  256    HA   ALA  42           HA       ALA  42   3.522   7.958   6.558
  257    HB1  ALA  42           3HB      ALA  42   5.637   8.853   7.426
  258    HB2  ALA  42           1HB      ALA  42   5.969   7.567   6.252
  259    HB3  ALA  42           2HB      ALA  42   6.166   9.277   5.783
  260    H    GLU  43           H        GLU  43   4.299  10.614   4.268
  261    HA   GLU  43           HA       GLU  43   3.310  12.716   5.987
  262    HB3  GLU  43           1HB      GLU  43   3.253  14.010   3.766
  263    HG3  GLU  43           1HG      GLU  43   5.793  13.871   3.535
  264    H    VAL  44           H        VAL  44   1.789  10.956   3.194
  265    HA   VAL  44           HA       VAL  44  -0.697  12.386   3.469
  266    HB   VAL  44           HB       VAL  44  -0.368  11.428   1.398
  267   HG11  VAL  44          1HG1      VAL  44   1.114   9.633   1.802
  268   HG12  VAL  44          2HG1      VAL  44  -0.183   8.647   2.560
  269   HG13  VAL  44          3HG1      VAL  44  -0.244   9.115   0.848
  270   HG21  VAL  44          3HG2      VAL  44  -2.361  10.145   0.988
  271   HG22  VAL  44          1HG2      VAL  44  -2.417   9.585   2.663
  272   HG23  VAL  44          2HG2      VAL  44  -2.735  11.281   2.302
  273    H    PHE  45           H        PHE  45   0.249   9.151   4.715
  274    HA   PHE  45           HA       PHE  45  -2.204   8.438   5.921
  275    HB3  PHE  45           1HB      PHE  45  -0.406   7.298   7.639
  276    HD1  PHE  45           HD1      PHE  45  -2.691   6.155   7.211
  277    HD2  PHE  45           HD2      PHE  45   0.709   5.847   4.566
  278    HE1  PHE  45           HE1      PHE  45  -3.501   3.971   6.353
  279    HE2  PHE  45           HE2      PHE  45  -0.096   3.676   3.767
  280    HZ   PHE  45           HZ       PHE  45  -2.232   2.744   4.642
  281    H    SER  46           H        SER  46   0.141  10.772   7.130
  282    HA   SER  46           HA       SER  46  -0.705  10.818   9.870
  283    HB3  SER  46           1HB      SER  46   0.266  13.117   9.851
  284    HG   SER  46           HG       SER  46   1.952  11.236   8.521
  285    H    ASP  47           H        ASP  47  -2.354  12.033   6.992
  286    HA   ASP  47           HA       ASP  47  -4.277  13.570   8.683
  287    HB3  ASP  47           1HB      ASP  47  -4.178  13.362   5.662
  288    H    TYR  48           H        TYR  48  -3.905  10.465   7.384
  289    HA   TYR  48           HA       TYR  48  -6.816   9.871   7.677
  290    HB3  TYR  48           1HB      TYR  48  -6.799   8.395   5.798
  291    HD1  TYR  48           HD1      TYR  48  -8.346  10.310   5.194
  292    HD2  TYR  48           HD2      TYR  48  -4.129  10.413   4.393
  293    HE1  TYR  48           HE1      TYR  48  -8.700  12.213   3.667
  294    HE2  TYR  48           HE2      TYR  48  -4.441  12.454   3.011
  295    HH   TYR  48           HH       TYR  48  -5.931  13.951   2.132
  296    HA   PRO  49           HA       PRO  49  -3.821   7.029  10.077
  297    HB3  PRO  49           1HB      PRO  49  -3.324   8.481  11.793
  298    HG3  PRO  49           1HG      PRO  49  -4.836  10.236  12.412
  299    HD3  PRO  49           1HD      PRO  49  -4.418  10.422  10.092
  300    H    GLU  50           H        GLU  50  -7.322   7.512  10.144
  301    HA   GLU  50           HA       GLU  50  -8.000   5.018  11.367
  302    HB3  GLU  50           1HB      GLU  50  -9.532   6.920  11.152
  303    HG3  GLU  50           1HG      GLU  50  -9.830   6.119   8.222
  304    H    VAL  51           H        VAL  51  -6.568   5.597   8.287
  305    HA   VAL  51           HA       VAL  51  -7.558   3.083   7.046
  306    HB   VAL  51           HB       VAL  51  -5.439   5.047   6.094
  307   HG11  VAL  51          1HG1      VAL  51  -5.679   3.984   3.884
  308   HG12  VAL  51          2HG1      VAL  51  -5.088   2.823   5.069
  309   HG13  VAL  51          3HG1      VAL  51  -6.791   2.782   4.575
  310   HG21  VAL  51          3HG2      VAL  51  -8.333   4.744   5.246
  311   HG22  VAL  51          1HG2      VAL  51  -7.628   6.112   6.114
  312   HG23  VAL  51          2HG2      VAL  51  -7.135   5.778   4.448
  313    H    GLY  52           H        GLY  52  -6.362   1.189   6.986
  314    HA2  GLY  52           1HA      GLY  52  -3.998   0.900   8.780
  315    HA3  GLY  52           2HA      GLY  52  -4.931  -0.401   8.025
  316    H    HIS  53           H        HIS  53  -2.026  -0.136   8.041
  317    HA   HIS  53           HA       HIS  53  -1.622  -0.122   5.086
  318    HB2  HIS  53           1HB      HIS  53  -0.587   1.872   6.442
  319    HB3  HIS  53           2HB      HIS  53   0.584   0.684   6.989
  320    HD1  HIS  53           HD1      HIS  53   2.436   2.208   5.577
  321    HD2  HIS  53           HD2      HIS  53  -0.595   0.400   3.308
  322    HE1  HIS  53           HE1      HIS  53   3.092   2.449   3.094
  323    H    LEU  54           H        LEU  54  -0.710  -1.975   4.296
  324    HA   LEU  54           HA       LEU  54   0.759  -3.801   6.167
  325    HB3  LEU  54           1HB      LEU  54  -0.562  -4.700   3.594
  326    HG   LEU  54           HG       LEU  54  -0.747  -6.834   4.563
  327   HD11  LEU  54          1HD1      LEU  54   1.472  -7.558   5.101
  328   HD12  LEU  54          2HD1      LEU  54   1.952  -5.946   5.657
  329   HD13  LEU  54          3HD1      LEU  54   1.622  -6.239   3.936
  330   HD21  LEU  54          3HD2      LEU  54  -0.339  -7.371   6.920
  331   HD22  LEU  54          1HD2      LEU  54  -1.590  -6.129   6.777
  332   HD23  LEU  54          2HD2      LEU  54   0.055  -5.673   7.277
  333    H    LYS  55           H        LYS  55   2.860  -3.372   5.893
  334    HA   LYS  55           HA       LYS  55   4.035  -2.685   3.276
  335    HB3  LYS  55           1HB      LYS  55   6.141  -2.897   4.777
  336    HG3  LYS  55           1HG      LYS  55   4.114  -0.707   4.862
  337    HD3  LYS  55           1HD      LYS  55   5.929   0.763   5.711
  338    HE3  LYS  55           1HE      LYS  55   5.289  -1.461   7.708
  339    HZ1  LYS  55           3HZ      LYS  55   6.837   0.323   8.398
  340    HZ2  LYS  55           1HZ      LYS  55   5.463   0.357   9.284
  341    HZ3  LYS  55           2HZ      LYS  55   5.722   1.453   8.085
  342    H    VAL  56           H        VAL  56   3.915  -4.385   1.913
  343    HA   VAL  56           HA       VAL  56   4.861  -7.106   2.717
  344    HB   VAL  56           HB       VAL  56   3.925  -6.113  -0.022
  345   HG11  VAL  56          1HG1      VAL  56   5.185  -8.235  -0.105
  346   HG12  VAL  56          2HG1      VAL  56   4.135  -8.923   1.155
  347   HG13  VAL  56          3HG1      VAL  56   3.491  -8.523  -0.453
  348   HG21  VAL  56          3HG2      VAL  56   2.076  -5.793   1.607
  349   HG22  VAL  56          1HG2      VAL  56   1.729  -7.038   0.417
  350   HG23  VAL  56          2HG2      VAL  56   2.206  -7.509   2.068
  351    H    GLU  57           H        GLU  57   6.857  -7.470   2.823
  352    HA   GLU  57           HA       GLU  57   8.829  -6.066   1.228
  353    HB3  GLU  57           1HB      GLU  57   9.381  -8.654   2.677
  354    HG3  GLU  57           1HG      GLU  57  10.838  -6.032   2.285
  355    H    ASP  58           H        ASP  58   9.004  -6.394  -0.889
  356    HA   ASP  58           HA       ASP  58   8.065  -8.925  -2.130
  357    HB3  ASP  58           1HB      ASP  58   8.867  -6.291  -3.421
  358    H    GLY  59           H        GLY  59   9.268 -10.261  -3.372
  359    HA2  GLY  59           1HA      GLY  59  11.806  -9.963  -4.497
  360    HA3  GLY  59           2HA      GLY  59  12.094 -10.485  -2.847
  361    HA   PRO  60           HA       PRO  60  11.370 -14.270  -5.553
  362    HB3  PRO  60           1HB      PRO  60  13.573 -14.496  -6.159
  363    HG3  PRO  60           1HG      PRO  60  15.316 -13.551  -4.831
  364    HD3  PRO  60           1HD      PRO  60  13.798 -11.783  -5.215
  365    H    GLY  61           H        GLY  61  10.300 -16.021  -4.787
  366    HA2  GLY  61           1HA      GLY  61   9.423 -17.568  -3.285
  367    HA3  GLY  61           2HA      GLY  61  10.471 -16.917  -1.996
  368    H    ARG  62           H        ARG  62   8.852 -14.299  -3.313
  369    HA   ARG  62           HA       ARG  62   6.493 -14.533  -1.475
  370    HB3  ARG  62           1HB      ARG  62   6.564 -12.059  -1.288
  371    HG3  ARG  62           1HG      ARG  62   8.730 -11.711  -0.082
  372    HD3  ARG  62           1HD      ARG  62   6.714 -12.727   1.080
  373    HE   ARG  62           HE       ARG  62   7.805 -15.173   0.089
  374   HH11  ARG  62          1HH1      ARG  62   6.491 -14.009   3.177
  375   HH12  ARG  62          2HH1      ARG  62   5.926 -15.602   3.600
  376   HH21  ARG  62          1HH2      ARG  62   7.062 -17.115   0.670
  377   HH22  ARG  62          2HH2      ARG  62   6.281 -17.361   2.214
  378    H    ARG  63           H        ARG  63   4.581 -14.434  -2.368
  379    HA   ARG  63           HA       ARG  63   4.422 -14.072  -5.318
  380    HB3  ARG  63           1HB      ARG  63   2.318 -15.601  -3.812
  381    HG3  ARG  63           1HG      ARG  63   3.081 -17.388  -5.483
  382    HD3  ARG  63           1HD      ARG  63   2.020 -14.845  -6.757
  383    HE   ARG  63           HE       ARG  63   2.552 -17.409  -7.885
  384   HH11  ARG  63          1HH1      ARG  63  -0.092 -15.024  -7.839
  385   HH12  ARG  63          2HH1      ARG  63  -0.591 -15.432  -9.456
  386   HH21  ARG  63          1HH2      ARG  63   1.755 -17.947  -9.918
  387   HH22  ARG  63          2HH2      ARG  63   0.400 -17.094 -10.592
  388    H    LEU  64           H        LEU  64   3.147 -12.543  -2.474
  389    HA   LEU  64           HA       LEU  64   0.495 -12.140  -3.223
  390    HB3  LEU  64           1HB      LEU  64   2.217 -10.242  -1.571
  391    HG   LEU  64           HG       LEU  64  -0.050  -9.318  -1.856
  392   HD11  LEU  64          1HD1      LEU  64  -1.377 -11.256  -2.420
  393   HD12  LEU  64          2HD1      LEU  64  -2.011 -10.633  -0.895
  394   HD13  LEU  64          3HD1      LEU  64  -0.979 -12.071  -0.890
  395   HD21  LEU  64          3HD2      LEU  64   1.150  -9.190   0.342
  396   HD22  LEU  64          1HD2      LEU  64   0.273 -10.616   0.889
  397   HD23  LEU  64          2HD2      LEU  64  -0.619  -9.127   0.507
  398    H    GLY  65           H        GLY  65   3.195  -9.838  -3.943
  399    HA2  GLY  65           1HA      GLY  65   1.560  -7.940  -5.336
  400    HA3  GLY  65           2HA      GLY  65   3.322  -8.119  -5.490
  401    H    ARG  66           H        ARG  66   2.988 -10.953  -6.470
  402    HA   ARG  66           HA       ARG  66   2.477 -10.448  -9.304
  403    HB3  ARG  66           1HB      ARG  66   2.951 -13.068  -7.825
  404    HG3  ARG  66           1HG      ARG  66   3.182 -12.328 -10.773
  405    HD3  ARG  66           1HD      ARG  66   3.771 -14.938  -9.323
  406    HE   ARG  66           HE       ARG  66   3.251 -15.731 -11.422
  407   HH11  ARG  66          1HH1      ARG  66   5.383 -12.937 -11.872
  408   HH12  ARG  66          2HH1      ARG  66   5.603 -13.273 -13.562
  409   HH21  ARG  66          1HH2      ARG  66   3.571 -16.087 -13.614
  410   HH22  ARG  66          2HH2      ARG  66   4.595 -15.026 -14.533
  411    H    SER  67           H        SER  67   0.673 -12.031  -6.622
  412    HA   SER  67           HA       SER  67  -1.640 -12.684  -8.289
  413    HB3  SER  67           1HB      SER  67  -2.673 -13.311  -6.152
  414    HG   SER  67           HG       SER  67  -1.104 -14.839  -5.478
  415    H    PHE  68           H        PHE  68  -0.596  -9.785  -6.712
  416    HA   PHE  68           HA       PHE  68  -3.213  -8.479  -7.179
  417    HB3  PHE  68           1HB      PHE  68  -1.612  -6.406  -6.657
  418    HD1  PHE  68           HD1      PHE  68  -3.899  -6.008  -5.843
  419    HD2  PHE  68           HD2      PHE  68  -1.182  -8.676  -3.888
  420    HE1  PHE  68           HE1      PHE  68  -5.337  -5.972  -3.797
  421    HE2  PHE  68           HE2      PHE  68  -2.538  -8.587  -1.824
  422    HZ   PHE  68           HZ       PHE  68  -4.659  -7.255  -1.790
  423    H    GLN  69           H        GLN  69  -0.586  -9.397  -9.100
  424    HA   GLN  69           HA       GLN  69   0.249  -8.764 -11.118
  425    HB3  GLN  69           1HB      GLN  69  -1.416  -8.069 -12.800
  426    HG3  GLN  69           1HG      GLN  69  -1.159 -10.463 -12.046
  427   HE21  GLN  69          2HE2      GLN  69  -3.934  -8.888 -10.316
  428   HE22  GLN  69          1HE2      GLN  69  -4.187 -10.328  -9.338
  429    H    VAL  70           H        VAL  70   1.122  -7.168  -9.230
  430    HA   VAL  70           HA       VAL  70   0.755  -4.364  -9.450
  431    HB   VAL  70           HB       VAL  70   3.022  -6.128  -8.494
  432   HG11  VAL  70          1HG1      VAL  70   4.279  -4.239  -9.265
  433   HG12  VAL  70          2HG1      VAL  70   3.085  -3.102  -8.619
  434   HG13  VAL  70          3HG1      VAL  70   4.091  -4.057  -7.512
  435   HG21  VAL  70          3HG2      VAL  70   1.226  -4.129  -7.052
  436   HG22  VAL  70          1HG2      VAL  70   0.921  -5.882  -7.144
  437   HG23  VAL  70          2HG2      VAL  70   2.370  -5.282  -6.320
  438    H    LYS  71           H        LYS  71   1.565  -2.791 -10.686
  439    HA   LYS  71           HA       LYS  71   2.513  -3.541 -13.368
  440    HB3  LYS  71           1HB      LYS  71   2.134  -1.024 -13.742
  441    HG3  LYS  71           1HG      LYS  71   0.524  -2.945 -14.273
  442    HD3  LYS  71           1HD      LYS  71  -1.181  -1.449 -12.217
  443    HE3  LYS  71           1HE      LYS  71  -2.564  -3.559 -12.502
  444    HZ1  LYS  71           3HZ      LYS  71  -2.147  -2.024 -15.027
  445    HZ2  LYS  71           1HZ      LYS  71  -3.166  -1.582 -13.812
  446    HZ3  LYS  71           2HZ      LYS  71  -3.453  -2.939 -14.674
  447    H    LEU  72           H        LEU  72   3.552  -0.483 -12.025
  448    HA   LEU  72           HA       LEU  72   6.389  -1.184 -12.368
  449    HB3  LEU  72           1HB      LEU  72   5.349   1.320 -11.017
  450    HG   LEU  72           HG       LEU  72   7.878   0.757 -11.227
  451   HD11  LEU  72          1HD1      LEU  72   8.908   1.338 -13.386
  452   HD12  LEU  72          2HD1      LEU  72   7.308   1.549 -14.118
  453   HD13  LEU  72          3HD1      LEU  72   7.833  -0.057 -13.576
  454   HD21  LEU  72          3HD2      LEU  72   6.795   3.364 -12.361
  455   HD22  LEU  72          1HD2      LEU  72   8.441   3.111 -11.751
  456   HD23  LEU  72          2HD2      LEU  72   7.064   2.973 -10.642
  457    H    TRP  73           H        TRP  73   7.808  -1.525 -10.615
  458    HA   TRP  73           HA       TRP  73   6.763  -3.152  -8.643
  459    HB3  TRP  73           1HB      TRP  73   9.323  -1.591  -8.531
  460    HD1  TRP  73           HD       TRP  73   8.577  -5.371  -8.175
  461    HE1  TRP  73           HE1      TRP  73   9.513  -6.190  -5.934
  462    HE3  TRP  73           HE3      TRP  73  10.073  -0.867  -6.317
  463    HZ2  TRP  73           HZ2      TRP  73  11.038  -5.015  -3.719
  464    HZ3  TRP  73           HZ3      TRP  73  11.245  -0.738  -4.145
  465    HH2  TRP  73           HH       TRP  73  11.780  -2.792  -2.870
  466    HA   PRO  74           HA       PRO  74   6.620   0.140  -5.285
  467    HB3  PRO  74           1HB      PRO  74   8.239   1.775  -5.558
  468    HG3  PRO  74           1HG      PRO  74   8.619   2.799  -7.717
  469    HD3  PRO  74           1HD      PRO  74   8.939   0.487  -7.998
  470    H    THR  75           H        THR  75   4.530  -0.778  -5.614
  471    HA   THR  75           HA       THR  75   2.367   1.156  -6.366
  472    HB   THR  75           HB       THR  75   2.526  -1.856  -6.897
  473    HG1  THR  75           HG1      THR  75   3.401  -0.682  -8.565
  474   HG21  THR  75          3HG2      THR  75   0.292  -1.646  -7.970
  475   HG22  THR  75          1HG2      THR  75   0.127  -0.024  -7.242
  476   HG23  THR  75          2HG2      THR  75   0.234  -1.484  -6.218
  477    H    PHE  76           H        PHE  76   0.655   1.179  -5.056
  478    HA   PHE  76           HA       PHE  76   0.452  -0.804  -2.886
  479    HB3  PHE  76           1HB      PHE  76   1.294   0.814  -1.495
  480    HD1  PHE  76           HD1      PHE  76   2.991   1.953  -2.970
  481    HD2  PHE  76           HD2      PHE  76  -1.022   3.430  -2.333
  482    HE1  PHE  76           HE1      PHE  76   3.683   4.181  -3.824
  483    HE2  PHE  76           HE2      PHE  76  -0.297   5.656  -3.092
  484    HZ   PHE  76           HZ       PHE  76   2.001   6.001  -3.958
  485    H    VAL  77           H        VAL  77  -1.458  -1.622  -2.692
  486    HA   VAL  77           HA       VAL  77  -3.665  -0.653  -4.458
  487    HB   VAL  77           HB       VAL  77  -3.258  -3.417  -3.294
  488   HG11  VAL  77          1HG1      VAL  77  -4.959  -4.081  -4.961
  489   HG12  VAL  77          2HG1      VAL  77  -5.629  -2.853  -3.890
  490   HG13  VAL  77          3HG1      VAL  77  -5.095  -2.429  -5.525
  491   HG21  VAL  77          3HG2      VAL  77  -1.435  -2.929  -4.883
  492   HG22  VAL  77          1HG2      VAL  77  -2.574  -4.061  -5.609
  493   HG23  VAL  77          2HG2      VAL  77  -2.607  -2.352  -6.081
  494    H    PHE  78           H        PHE  78  -5.463   0.136  -3.592
  495    HA   PHE  78           HA       PHE  78  -5.800   0.160  -0.636
  496    HB3  PHE  78           1HB      PHE  78  -7.629   1.754  -1.115
  497    HD1  PHE  78           HD2      PHE  78  -4.912   2.289  -3.625
  498    HD2  PHE  78           HD1      PHE  78  -6.479   3.415   0.224
  499    HE1  PHE  78           HE2      PHE  78  -3.159   4.041  -3.414
  500    HE2  PHE  78           HE1      PHE  78  -4.786   5.234   0.358
  501    HZ   PHE  78           HZ       PHE  78  -3.145   5.534  -1.483
  502    H    LEU  79           H        LEU  79  -6.878  -1.425   0.260
  503    HA   LEU  79           HA       LEU  79  -9.050  -2.834  -1.201
  504    HB3  LEU  79           1HB      LEU  79  -8.816  -4.475   0.765
  505    HG   LEU  79           HG       LEU  79  -6.699  -5.536   0.208
  506   HD11  LEU  79          1HD1      LEU  79  -7.416  -6.490  -1.897
  507   HD12  LEU  79          2HD1      LEU  79  -8.442  -5.096  -2.202
  508   HD13  LEU  79          3HD1      LEU  79  -8.830  -6.194  -0.865
  509   HD21  LEU  79          3HD2      LEU  79  -5.521  -3.503  -0.667
  510   HD22  LEU  79          1HD2      LEU  79  -6.588  -3.584  -2.096
  511   HD23  LEU  79          2HD2      LEU  79  -5.424  -4.892  -1.756
  512    H    ARG  80           H        ARG  80 -10.880  -3.256  -0.135
  513    HA   ARG  80           HA       ARG  80 -11.605  -2.434   2.499
  514    HB3  ARG  80           1HB      ARG  80 -13.138  -0.852   0.395
  515    HG3  ARG  80           1HG      ARG  80 -12.625  -0.523   3.379
  516    HD3  ARG  80           1HD      ARG  80 -14.196   1.301   1.495
  517    HE   ARG  80           HE       ARG  80 -14.738   1.005   4.087
  518   HH11  ARG  80          1HH1      ARG  80 -12.925   3.705   2.568
  519   HH12  ARG  80          2HH1      ARG  80 -13.445   4.807   3.814
  520   HH21  ARG  80          1HH2      ARG  80 -15.297   2.534   5.627
  521   HH22  ARG  80          2HH2      ARG  80 -14.732   4.172   5.485
  522    H    ASP  81           H        ASP  81 -13.457  -3.500   3.122
  523    HA   ASP  81           HA       ASP  81 -15.027  -5.177   3.117
  524    HB3  ASP  81           1HB      ASP  81 -15.631  -4.361   0.244
  525    H    GLY  82           H        GLY  82 -12.339  -5.894   2.326
  526    HA2  GLY  82           1HA      GLY  82 -11.182  -7.832   1.739
  527    HA3  GLY  82           2HA      GLY  82 -12.721  -8.565   1.239
  528    H    ARG  83           H        ARG  83 -12.264  -5.598  -0.370
  529    HA   ARG  83           HA       ARG  83 -11.444  -6.986  -2.883
  530    HB3  ARG  83           1HB      ARG  83 -13.816  -5.194  -2.185
  531    HG3  ARG  83           1HG      ARG  83 -13.103  -6.510  -4.847
  532    HD3  ARG  83           1HD      ARG  83 -15.491  -6.839  -4.264
  533    HE   ARG  83           HE       ARG  83 -15.908  -3.888  -4.361
  534   HH11  ARG  83          1HH1      ARG  83 -16.290  -6.855  -2.432
  535   HH12  ARG  83          2HH1      ARG  83 -17.197  -6.001  -1.202
  536   HH21  ARG  83          1HH2      ARG  83 -17.174  -2.939  -2.740
  537   HH22  ARG  83          2HH2      ARG  83 -17.721  -3.931  -1.405
  538    H    GLU  84           H        GLU  84 -10.374  -5.731  -4.387
  539    HA   GLU  84           HA       GLU  84  -9.027  -3.334  -3.538
  540    HB3  GLU  84           1HB      GLU  84  -9.271  -4.672  -6.243
  541    HG3  GLU  84           1HG      GLU  84  -7.598  -2.271  -5.461
  542    H    VAL  85           H        VAL  85  -9.817  -1.404  -3.345
  543    HA   VAL  85           HA       VAL  85 -12.195  -0.509  -4.915
  544    HB   VAL  85           HB       VAL  85 -12.141   1.487  -3.398
  545   HG11  VAL  85          1HG1      VAL  85 -13.666  -0.448  -3.089
  546   HG12  VAL  85          2HG1      VAL  85 -12.472  -1.197  -2.005
  547   HG13  VAL  85          3HG1      VAL  85 -13.239   0.351  -1.568
  548   HG21  VAL  85          3HG2      VAL  85 -10.937   1.461  -1.315
  549   HG22  VAL  85          1HG2      VAL  85 -10.292  -0.151  -1.621
  550   HG23  VAL  85          2HG2      VAL  85  -9.729   1.227  -2.589
  551    H    ALA  86           H        ALA  86  -8.752  -0.060  -4.668
  552    HA   ALA  86           HA       ALA  86  -8.530   1.310  -7.175
  553    HB1  ALA  86           3HB      ALA  86  -9.295   3.257  -5.821
  554    HB2  ALA  86           1HB      ALA  86  -8.011   2.913  -4.624
  555    HB3  ALA  86           2HB      ALA  86  -7.607   3.454  -6.251
  556    H    ARG  87           H        ARG  87  -6.179   2.188  -7.353
  557    HA   ARG  87           HA       ARG  87  -4.322   1.384  -5.330
  558    HB3  ARG  87           1HB      ARG  87  -4.379  -0.716  -6.538
  559    HG3  ARG  87           1HG      ARG  87  -3.364   0.913  -8.913
  560    HD3  ARG  87           1HD      ARG  87  -2.188  -1.221  -8.321
  561    HE   ARG  87           HE       ARG  87  -4.856  -2.337  -8.428
  562   HH11  ARG  87          1HH1      ARG  87  -1.565  -3.204  -9.463
  563   HH12  ARG  87          2HH1      ARG  87  -1.952  -4.914  -9.448
  564   HH21  ARG  87          1HH2      ARG  87  -5.198  -4.513  -8.318
  565   HH22  ARG  87          2HH2      ARG  87  -3.914  -5.619  -8.822
  566    H    VAL  88           H        VAL  88  -2.289   2.355  -5.577
  567    HA   VAL  88           HA       VAL  88  -2.057   4.515  -7.685
  568    HB   VAL  88           HB       VAL  88  -1.366   4.636  -4.764
  569   HG11  VAL  88          1HG1      VAL  88  -0.589   7.007  -5.202
  570   HG12  VAL  88          2HG1      VAL  88   0.434   5.816  -6.018
  571   HG13  VAL  88          3HG1      VAL  88  -0.798   6.712  -6.935
  572   HG21  VAL  88          3HG2      VAL  88  -3.759   5.153  -5.277
  573   HG22  VAL  88          1HG2      VAL  88  -2.863   6.456  -4.494
  574   HG23  VAL  88          2HG2      VAL  88  -3.205   6.521  -6.249
  575    H    VAL  89           H        VAL  89  -0.080   4.672  -8.617
  576    HA   VAL  89           HA       VAL  89   2.140   2.908  -7.746
  577    HB   VAL  89           HB       VAL  89   0.974   1.555  -9.338
  578   HG11  VAL  89          1HG1      VAL  89  -0.431   3.170 -10.496
  579   HG12  VAL  89          2HG1      VAL  89   1.003   3.862 -11.308
  580   HG13  VAL  89          3HG1      VAL  89   0.479   2.193 -11.641
  581   HG21  VAL  89          3HG2      VAL  89   3.264   2.854 -10.887
  582   HG22  VAL  89          1HG2      VAL  89   3.502   1.720  -9.546
  583   HG23  VAL  89          2HG2      VAL  89   2.658   1.197 -11.015
  584    H    ARG  90           H        ARG  90   4.120   3.731  -8.062
  585    HA   ARG  90           HA       ARG  90   5.716   5.296  -8.212
  586    HB3  ARG  90           1HB      ARG  90   4.435   5.959 -10.882
  587    HG3  ARG  90           1HG      ARG  90   7.335   5.621 -10.792
  588    HD3  ARG  90           1HD      ARG  90   5.598   8.057 -11.320
  589    HE   ARG  90           HE       ARG  90   8.481   7.739 -11.396
  590   HH11  ARG  90          1HH1      ARG  90   5.866   9.390 -13.077
  591   HH12  ARG  90          2HH1      ARG  90   6.893  10.683 -13.616
  592   HH21  ARG  90          1HH2      ARG  90   9.774   9.418 -12.131
  593   HH22  ARG  90          2HH2      ARG  90   9.084  10.699 -13.081
  594    HA   PRO  91           HA       PRO  91   2.645   8.655  -6.775
  595    HB3  PRO  91           1HB      PRO  91   2.645   7.982  -4.661
  596    HG3  PRO  91           1HG      PRO  91   4.439   6.717  -3.735
  597    HD3  PRO  91           1HD      PRO  91   3.829   5.621  -5.768
  598    H    GLY  92           H        GLY  92   2.944  10.580  -7.792
  599    HA2  GLY  92           1HA      GLY  92   5.599  11.561  -8.498
  600    HA3  GLY  92           2HA      GLY  92   4.032  12.263  -8.947
  601    H    SER  93           H        SER  93   3.161  12.466  -6.149
  602    HA   SER  93           HA       SER  93   4.913  13.963  -4.500
  603    HB3  SER  93           1HB      SER  93   2.814  15.695  -5.873
  604    HG   SER  93           HG       SER  93   4.063  17.350  -4.799
  605    H    ALA  94           H        ALA  94   3.708  14.849  -2.591
  606    HA   ALA  94           HA       ALA  94   1.825  13.037  -1.505
  607    HB1  ALA  94           3HB      ALA  94   1.648  14.740   0.277
  608    HB2  ALA  94           1HB      ALA  94   3.336  14.529  -0.210
  609    HB3  ALA  94           2HB      ALA  94   2.422  15.949  -0.772
  610    H    SER  95           H        SER  95   1.218  16.088  -3.296
  611    HA   SER  95           HA       SER  95  -1.566  16.305  -2.873
  612    HB3  SER  95           1HB      SER  95  -0.355  18.024  -4.016
  613    HG   SER  95           HG       SER  95   0.536  17.651  -6.108
  614    H    VAL  96           H        VAL  96   0.176  14.195  -5.175
  615    HA   VAL  96           HA       VAL  96  -2.267  13.194  -6.444
  616    HB   VAL  96           HB       VAL  96   0.595  12.110  -6.559
  617   HG11  VAL  96          1HG1      VAL  96  -1.031  10.414  -7.308
  618   HG12  VAL  96          2HG1      VAL  96  -1.774  11.612  -8.398
  619   HG13  VAL  96          3HG1      VAL  96  -0.112  11.053  -8.680
  620   HG21  VAL  96          3HG2      VAL  96   0.761  13.277  -8.734
  621   HG22  VAL  96          1HG2      VAL  96  -0.830  14.016  -8.455
  622   HG23  VAL  96          2HG2      VAL  96   0.561  14.413  -7.408
  623    H    LEU  97           H        LEU  97  -0.056  12.018  -3.902
  624    HA   LEU  97           HA       LEU  97  -1.377   9.446  -3.626
  625    HB3  LEU  97           1HB      LEU  97   0.055  10.393  -1.246
  626    HG   LEU  97           HG       LEU  97   0.716   8.285  -3.390
  627   HD11  LEU  97          1HD1      LEU  97   2.168   7.265  -1.776
  628   HD12  LEU  97          2HD1      LEU  97   1.866   8.572  -0.595
  629   HD13  LEU  97          3HD1      LEU  97   2.699   8.895  -2.137
  630   HD21  LEU  97          3HD2      LEU  97  -1.307   7.551  -2.446
  631   HD22  LEU  97          1HD2      LEU  97  -0.975   8.302  -0.892
  632   HD23  LEU  97          2HD2      LEU  97  -0.135   6.829  -1.323
  633    H    GLU  98           H        GLU  98  -1.527  12.447  -1.662
  634    HA   GLU  98           HA       GLU  98  -3.611  11.744   0.060
  635    HB3  GLU  98           1HB      GLU  98  -4.099  14.206   0.140
  636    HG3  GLU  98           1HG      GLU  98  -1.128  13.525   0.378
  637    H    GLU  99           H        GLU  99  -3.899  13.143  -3.261
  638    HA   GLU  99           HA       GLU  99  -6.679  13.472  -3.364
  639    HB3  GLU  99           1HB      GLU  99  -4.625  12.734  -5.468
  640    HG3  GLU  99           1HG      GLU  99  -7.552  13.327  -5.842
  641    H    ALA 100           H        ALA 100  -4.802  10.496  -3.785
  642    HA   ALA 100           HA       ALA 100  -7.181   8.881  -4.455
  643    HB1  ALA 100           3HB      ALA 100  -4.982   8.319  -5.380
  644    HB2  ALA 100           1HB      ALA 100  -4.332   8.115  -3.740
  645    HB3  ALA 100           2HB      ALA 100  -5.584   6.997  -4.349
  646    H    PHE 101           H        PHE 101  -5.150   9.472  -1.533
  647    HA   PHE 101           HA       PHE 101  -6.377   7.507   0.105
  648    HB3  PHE 101           1HB      PHE 101  -5.736   9.456   1.866
  649    HD1  PHE 101           HD2      PHE 101  -3.252   7.863  -0.582
  650    HD2  PHE 101           HD1      PHE 101  -5.018   7.824   3.377
  651    HE1  PHE 101           HE2      PHE 101  -1.623   6.207   0.160
  652    HE2  PHE 101           HE1      PHE 101  -3.347   6.166   4.084
  653    HZ   PHE 101           HZ       PHE 101  -1.614   5.365   2.452
  654    H    GLU 102           H        GLU 102  -7.232  10.990  -0.219
  655    HA   GLU 102           HA       GLU 102  -9.514  10.883   1.490
  656    HB3  GLU 102           1HB      GLU 102  -8.654  13.000   0.906
  657    HG3  GLU 102           1HG      GLU 102  -8.489  12.138  -1.794
  658    H    SER 103           H        SER 103  -9.197   9.923  -1.886
  659    HA   SER 103           HA       SER 103 -12.047   9.716  -2.353
  660    HB3  SER 103           1HB      SER 103  -9.735   8.428  -3.860
  661    HG   SER 103           HG       SER 103 -11.263   8.588  -5.614
  662    H    LEU 104           H        LEU 104  -9.599   7.524  -1.022
  663    HA   LEU 104           HA       LEU 104 -11.537   5.232  -1.128
  664    HB3  LEU 104           1HB      LEU 104  -9.498   3.892  -0.465
  665    HG   LEU 104           HG       LEU 104  -8.721   3.518  -2.548
  666   HD11  LEU 104          1HD1      LEU 104 -11.218   5.015  -3.412
  667   HD12  LEU 104          2HD1      LEU 104 -11.290   3.500  -2.485
  668   HD13  LEU 104          3HD1      LEU 104 -10.547   3.522  -4.078
  669   HD21  LEU 104          3HD2      LEU 104  -8.506   5.115  -4.403
  670   HD22  LEU 104          1HD2      LEU 104  -7.611   5.641  -2.984
  671   HD23  LEU 104          2HD2      LEU 104  -9.195   6.372  -3.401
  672    H    VAL 105           H        VAL 105  -9.960   7.307   1.199
  673    HA   VAL 105           HA       VAL 105 -10.775   5.849   3.526
  674    HB   VAL 105           HB       VAL 105  -9.125   7.872   3.296
  675   HG11  VAL 105          1HG1      VAL 105  -9.981  10.066   3.732
  676   HG12  VAL 105          2HG1      VAL 105 -10.853   9.417   2.345
  677   HG13  VAL 105          3HG1      VAL 105 -11.619   9.476   3.948
  678   HG21  VAL 105          3HG2      VAL 105  -9.292   8.338   5.600
  679   HG22  VAL 105          1HG2      VAL 105 -11.025   7.918   5.655
  680   HG23  VAL 105          2HG2      VAL 105  -9.804   6.661   5.391
  681    H    GLY 106           H        GLY 106 -12.449   7.888   1.259
  682    HA2  GLY 106           1HA      GLY 106 -14.763   7.937   0.911
  683    HA3  GLY 106           2HA      GLY 106 -15.068   7.429   2.590
  684    H    GLU 107           H        GLU 107 -12.810  10.039   1.931
  685    HA   GLU 107           HA       GLU 107 -14.585  12.042   3.181
  686    HB3  GLU 107           1HB      GLU 107 -12.416  13.473   2.434
  687    HG3  GLU 107           1HG      GLU 107 -11.323  12.805   4.595
  688    H    GLY 108           H        GLY 108 -13.450  11.104  -0.029
  689    HA2  GLY 108           1HA      GLY 108 -14.905  13.199  -1.470
  690    HA3  GLY 108           2HA      GLY 108 -14.305  11.678  -2.142
  Start of MODEL   20
    1    H1   MET   1           H        MET   1  10.639  -4.253  15.960
    2    HA   MET   1           HA       MET   1  10.641  -4.335  13.488
    3    HB3  MET   1           1HB      MET   1   8.454  -6.135  14.609
    4    HG3  MET   1           1HG      MET   1   8.781  -6.359  12.152
    5    HE1  MET   1           3HE      MET   1  11.588  -7.519   9.826
    6    HE2  MET   1           1HE      MET   1  10.260  -8.422  10.572
    7    HE3  MET   1           2HE      MET   1   9.979  -6.769   9.946
    8    H    LYS   2           H        LYS   2   7.811  -2.989  14.900
    9    HA   LYS   2           HA       LYS   2   6.068  -3.059  12.613
   10    HB3  LYS   2           1HB      LYS   2   5.281  -2.924  14.930
   11    HG3  LYS   2           1HG      LYS   2   6.283  -0.040  14.914
   12    HD3  LYS   2           1HD      LYS   2   4.752  -1.681  16.984
   13    HE3  LYS   2           1HE      LYS   2   6.400  -0.069  17.978
   14    HZ1  LYS   2           3HZ      LYS   2   4.678   1.977  16.694
   15    HZ2  LYS   2           1HZ      LYS   2   6.258   1.734  16.343
   16    HZ3  LYS   2           2HZ      LYS   2   5.820   2.293  17.807
   17    H    THR   3           H        THR   3   8.785  -1.088  13.128
   18    HA   THR   3           HA       THR   3   7.922   1.404  11.933
   19    HB   THR   3           HB       THR   3  10.413   1.841  11.870
   20    HG1  THR   3           HG1      THR   3  11.685   0.349  12.984
   21   HG21  THR   3          3HG2      THR   3   9.277   0.875  14.542
   22   HG22  THR   3          1HG2      THR   3   8.989   2.475  13.814
   23   HG23  THR   3          2HG2      THR   3  10.625   2.014  14.311
   24    H    ARG   4           H        ARG   4  10.360  -0.837  10.715
   25    HA   ARG   4           HA       ARG   4  10.074   0.017   7.975
   26    HB3  ARG   4           1HB      ARG   4  12.202  -0.734   9.151
   27    HG3  ARG   4           1HG      ARG   4  12.913  -3.005   9.001
   28    HD3  ARG   4           1HD      ARG   4  11.355  -4.370  10.399
   29    HE   ARG   4           HE       ARG   4  11.431  -1.832  11.880
   30   HH11  ARG   4          1HH1      ARG   4  13.375  -4.633  10.918
   31   HH12  ARG   4          2HH1      ARG   4  14.511  -4.395  12.213
   32   HH21  ARG   4          1HH2      ARG   4  12.893  -1.602  13.516
   33   HH22  ARG   4          2HH2      ARG   4  14.227  -2.704  13.673
   34    H    TYR   5           H        TYR   5  10.156  -2.018   6.300
   35    HA   TYR   5           HA       TYR   5   7.484  -2.988   6.075
   36    HB3  TYR   5           1HB      TYR   5   8.714  -4.511   4.295
   37    HD1  TYR   5           HD1      TYR   5   9.949  -1.025   4.016
   38    HD2  TYR   5           HD2      TYR   5   6.793  -3.801   3.150
   39    HE1  TYR   5           HE1      TYR   5   9.078   0.531   2.293
   40    HE2  TYR   5           HE2      TYR   5   5.844  -2.200   1.456
   41    HH   TYR   5           HH       TYR   5   7.505   0.882   0.678
   42    H    SER   6           H        SER   6   6.701  -5.194   5.899
   43    HA   SER   6           HA       SER   6   8.016  -7.045   7.835
   44    HB3  SER   6           1HB      SER   6   5.701  -7.831   8.324
   45    HG   SER   6           HG       SER   6   5.142  -5.937   9.540
   46    H    ALA   7           H        ALA   7   8.720  -8.920   7.013
   47    HA   ALA   7           HA       ALA   7   7.785  -9.984   4.458
   48    HB1  ALA   7           3HB      ALA   7   9.374 -11.796   4.984
   49    HB2  ALA   7           1HB      ALA   7  10.118 -10.202   5.230
   50    HB3  ALA   7           2HB      ALA   7   9.591 -11.171   6.631
   51    H    GLU   8           H        GLU   8   6.866 -10.449   7.798
   52    HA   GLU   8           HA       GLU   8   5.486 -12.956   7.453
   53    HB3  GLU   8           1HB      GLU   8   6.526 -12.421   9.545
   54    HG3  GLU   8           1HG      GLU   8   4.503 -10.157   9.859
   55    H    ALA   9           H        ALA   9   4.564 -11.048   5.566
   56    HA   ALA   9           HA       ALA   9   2.002  -9.929   6.252
   57    HB1  ALA   9           3HB      ALA   9   1.786  -9.708   3.767
   58    HB2  ALA   9           1HB      ALA   9   3.352  -9.123   4.376
   59    HB3  ALA   9           2HB      ALA   9   3.232 -10.699   3.570
   60    HA   PRO  10           HA       PRO  10  -0.752 -13.436   5.837
   61    HB3  PRO  10           1HB      PRO  10  -2.468 -11.985   6.369
   62    HG3  PRO  10           1HG      PRO  10  -2.574  -9.768   5.375
   63    HD3  PRO  10           1HD      PRO  10  -0.540 -10.049   6.566
   64    H    ALA  11           H        ALA  11  -1.733 -14.843   4.339
   65    HA   ALA  11           HA       ALA  11  -0.769 -14.794   1.547
   66    HB1  ALA  11           3HB      ALA  11  -0.812 -16.918   2.833
   67    HB2  ALA  11           1HB      ALA  11  -2.571 -16.766   3.063
   68    HB3  ALA  11           2HB      ALA  11  -1.900 -17.010   1.440
   69    H    ARG  12           H        ARG  12  -2.392 -15.134  -0.229
   70    HA   ARG  12           HA       ARG  12  -4.128 -12.956  -0.460
   71    HB3  ARG  12           1HB      ARG  12  -5.040 -15.100  -2.202
   72    HG3  ARG  12           1HG      ARG  12  -3.864 -13.882  -3.966
   73    HD3  ARG  12           1HD      ARG  12  -5.232 -11.916  -2.098
   74    HE   ARG  12           HE       ARG  12  -4.430 -11.781  -4.917
   75   HH11  ARG  12          1HH1      ARG  12  -6.765 -10.437  -2.597
   76   HH12  ARG  12          2HH1      ARG  12  -6.985  -9.004  -3.553
   77   HH21  ARG  12          1HH2      ARG  12  -4.761  -9.978  -6.050
   78   HH22  ARG  12          2HH2      ARG  12  -5.868  -8.741  -5.503
   79    H    ASP  13           H        ASP  13  -4.952 -16.297   0.484
   80    HA   ASP  13           HA       ASP  13  -7.796 -15.864   0.597
   81    HB3  ASP  13           1HB      ASP  13  -6.113 -17.965   2.003
   82    H    GLU  14           H        GLU  14  -5.221 -15.401   2.984
   83    HA   GLU  14           HA       GLU  14  -7.000 -15.124   5.285
   84    HB3  GLU  14           1HB      GLU  14  -4.892 -14.194   6.338
   85    HG3  GLU  14           1HG      GLU  14  -3.690 -16.353   6.358
   86    H    LEU  15           H        LEU  15  -5.348 -12.997   2.938
   87    HA   LEU  15           HA       LEU  15  -6.199 -10.472   4.024
   88    HB3  LEU  15           1HB      LEU  15  -5.153 -11.485   1.360
   89    HG   LEU  15           HG       LEU  15  -5.963  -8.641   2.054
   90   HD11  LEU  15          1HD1      LEU  15  -3.503  -8.642   1.749
   91   HD12  LEU  15          2HD1      LEU  15  -4.327  -7.815   0.437
   92   HD13  LEU  15          3HD1      LEU  15  -3.710  -9.465   0.182
   93   HD21  LEU  15          3HD2      LEU  15  -7.452  -9.651   0.426
   94   HD22  LEU  15          1HD2      LEU  15  -6.102 -10.427  -0.430
   95   HD23  LEU  15          2HD2      LEU  15  -6.338  -8.677  -0.522
   96    H    ASP  16           H        ASP  16  -7.695 -12.668   1.637
   97    HA   ASP  16           HA       ASP  16  -9.732 -10.961   0.702
   98    HB3  ASP  16           1HB      ASP  16  -9.736 -13.995   1.070
   99    H    ARG  17           H        ARG  17  -9.484 -12.545   3.742
  100    HA   ARG  17           HA       ARG  17 -12.315 -12.446   4.480
  101    HB3  ARG  17           1HB      ARG  17 -11.375 -13.276   6.687
  102    HG3  ARG  17           1HG      ARG  17 -10.642 -14.732   4.107
  103    HD3  ARG  17           1HD      ARG  17  -9.158 -15.546   5.908
  104    HE   ARG  17           HE       ARG  17 -10.140 -15.475   8.006
  105   HH11  ARG  17          1HH1      ARG  17 -12.313 -17.343   5.921
  106   HH12  ARG  17          2HH1      ARG  17 -13.259 -17.903   7.267
  107   HH21  ARG  17          1HH2      ARG  17 -11.408 -16.228   9.684
  108   HH22  ARG  17          2HH2      ARG  17 -12.772 -17.254   9.353
  109    H    LEU  18           H        LEU  18  -9.785 -10.112   4.489
  110    HA   LEU  18           HA       LEU  18 -10.586  -8.699   6.885
  111    HB3  LEU  18           1HB      LEU  18  -8.387  -8.489   5.753
  112    HG   LEU  18           HG       LEU  18  -9.251  -7.702   3.417
  113   HD11  LEU  18          1HD1      LEU  18  -9.515  -5.108   4.975
  114   HD12  LEU  18          2HD1      LEU  18 -10.744  -5.882   3.932
  115   HD13  LEU  18          3HD1      LEU  18  -9.294  -5.189   3.225
  116   HD21  LEU  18          3HD2      LEU  18  -7.089  -6.142   4.909
  117   HD22  LEU  18          1HD2      LEU  18  -7.226  -6.311   3.142
  118   HD23  LEU  18          2HD2      LEU  18  -6.871  -7.730   4.134
  119    H    ALA  19           H        ALA  19 -11.468  -6.403   6.850
  120    HA   ALA  19           HA       ALA  19 -13.700  -6.085   4.873
  121    HB1  ALA  19           3HB      ALA  19 -15.288  -5.737   6.695
  122    HB2  ALA  19           1HB      ALA  19 -14.541  -7.341   6.821
  123    HB3  ALA  19           2HB      ALA  19 -14.019  -6.037   7.902
  124    H    GLY  20           H        GLY  20 -11.633  -4.418   7.264
  125    HA2  GLY  20           1HA      GLY  20 -13.050  -1.922   6.982
  126    HA3  GLY  20           2HA      GLY  20 -11.531  -2.183   7.861
  127    HA   PRO  21           HA       PRO  21 -10.852   0.291   3.839
  128    HB3  PRO  21           1HB      PRO  21 -11.904   2.223   4.508
  129    HG3  PRO  21           1HG      PRO  21 -12.208   2.744   6.809
  130    HD3  PRO  21           1HD      PRO  21 -13.055   0.557   6.583
  131    H    THR  22           H        THR  22  -9.038  -0.618   3.286
  132    HA   THR  22           HA       THR  22  -6.594  -0.494   5.036
  133    HB   THR  22           HB       THR  22  -7.665  -2.701   3.229
  134    HG1  THR  22           HG1      THR  22  -8.728  -2.552   5.154
  135   HG21  THR  22          3HG2      THR  22  -5.140  -2.665   4.960
  136   HG22  THR  22          1HG2      THR  22  -5.211  -2.843   3.197
  137   HG23  THR  22          2HG2      THR  22  -5.862  -4.111   4.230
  138    H    LEU  23           H        LEU  23  -4.579  -0.366   4.026
  139    HA   LEU  23           HA       LEU  23  -4.523  -0.094   1.066
  140    HB3  LEU  23           1HB      LEU  23  -2.939   1.621   3.025
  141    HG   LEU  23           HG       LEU  23  -1.573   1.166   1.016
  142   HD11  LEU  23          1HD1      LEU  23  -2.900   0.522  -0.713
  143   HD12  LEU  23          2HD1      LEU  23  -2.672   2.201  -1.192
  144   HD13  LEU  23          3HD1      LEU  23  -4.165   1.723  -0.369
  145   HD21  LEU  23          3HD2      LEU  23  -1.271   3.460   0.251
  146   HD22  LEU  23          1HD2      LEU  23  -1.480   3.372   2.005
  147   HD23  LEU  23          2HD2      LEU  23  -2.828   3.912   0.981
  148    H    VAL  24           H        VAL  24  -3.329  -1.708   0.283
  149    HA   VAL  24           HA       VAL  24  -1.270  -2.984   2.022
  150    HB   VAL  24           HB       VAL  24  -2.570  -4.098  -0.503
  151   HG11  VAL  24          1HG1      VAL  24  -1.555  -6.238   0.207
  152   HG12  VAL  24          2HG1      VAL  24  -0.310  -5.012  -0.053
  153   HG13  VAL  24          3HG1      VAL  24  -0.796  -5.429   1.601
  154   HG21  VAL  24          3HG2      VAL  24  -3.160  -4.697   2.421
  155   HG22  VAL  24          1HG2      VAL  24  -4.268  -3.973   1.231
  156   HG23  VAL  24          2HG2      VAL  24  -3.768  -5.652   1.039
  157    H    GLU  25           H        GLU  25   0.703  -2.350   1.724
  158    HA   GLU  25           HA       GLU  25   1.548  -1.181  -0.884
  159    HB3  GLU  25           1HB      GLU  25   2.546  -0.793   1.957
  160    HG3  GLU  25           1HG      GLU  25   3.340   0.782  -0.516
  161    H    PHE  26           H        PHE  26   3.081  -2.138  -2.067
  162    HA   PHE  26           HA       PHE  26   4.686  -4.371  -0.923
  163    HB3  PHE  26           1HB      PHE  26   4.893  -5.233  -3.106
  164    HD1  PHE  26           HD2      PHE  26   2.905  -6.245  -1.510
  165    HD2  PHE  26           HD1      PHE  26   2.350  -3.545  -4.815
  166    HE1  PHE  26           HE2      PHE  26   0.495  -6.866  -1.619
  167    HE2  PHE  26           HE1      PHE  26  -0.017  -4.212  -4.962
  168    HZ   PHE  26           HZ       PHE  26  -0.975  -5.806  -3.309
  169    H    GLY  27           H        GLY  27   6.847  -4.169  -0.726
  170    HA2  GLY  27           1HA      GLY  27   8.608  -2.689  -2.360
  171    HA3  GLY  27           2HA      GLY  27   8.116  -1.606  -1.092
  172    H    THR  28           H        THR  28  10.445  -1.619  -0.638
  173    HA   THR  28           HA       THR  28  11.001  -3.419   1.624
  174    HB   THR  28           HB       THR  28  13.335  -3.749   1.002
  175    HG1  THR  28           HG1      THR  28  13.875  -3.243  -1.230
  176   HG21  THR  28          3HG2      THR  28  13.113  -5.383  -0.778
  177   HG22  THR  28          1HG2      THR  28  11.563  -4.703  -1.265
  178   HG23  THR  28          2HG2      THR  28  11.720  -5.493   0.311
  179    H    ASP  29           H        ASP  29  13.104  -2.460   2.763
  180    HA   ASP  29           HA       ASP  29  12.531   0.426   3.127
  181    HB3  ASP  29           1HB      ASP  29  14.463  -1.330   4.678
  182    H    TRP  30           H        TRP  30  14.399  -1.273   1.001
  183    HA   TRP  30           HA       TRP  30  16.741   0.591   1.092
  184    HB3  TRP  30           1HB      TRP  30  17.363  -1.461   2.073
  185    HD1  TRP  30           HD       TRP  30  16.006  -3.535   2.668
  186    HE1  TRP  30           HE1      TRP  30  15.317  -5.698   1.461
  187    HE3  TRP  30           HE3      TRP  30  17.417  -2.285  -2.093
  188    HZ2  TRP  30           HZ2      TRP  30  15.210  -6.672  -1.268
  189    HZ3  TRP  30           HZ3      TRP  30  17.033  -3.845  -3.952
  190    HH2  TRP  30           HH       TRP  30  15.915  -6.036  -3.577
  191    H    CYS  31           H        CYS  31  14.347  -0.778  -1.119
  192    HA   CYS  31           HA       CYS  31  15.901  -0.349  -3.519
  193    HB2  CYS  31           1HB      CYS  31  13.934  -1.809  -3.484
  194    HB3  CYS  31           2HB      CYS  31  12.886  -0.440  -3.097
  195    H    GLY  32           H        GLY  32  15.986   1.369  -4.898
  196    HA2  GLY  32           1HA      GLY  32  15.840   4.060  -3.881
  197    HA3  GLY  32           2HA      GLY  32  16.151   3.595  -5.551
  198    H    HIS  33           H        HIS  33  13.506   2.104  -5.716
  199    HA   HIS  33           HA       HIS  33  11.657   4.256  -6.353
  200    HB2  HIS  33           1HB      HIS  33  11.102   1.335  -5.642
  201    HB3  HIS  33           2HB      HIS  33  10.024   2.448  -6.460
  202    HD1  HIS  33           HD1      HIS  33  12.489  -0.176  -7.187
  203    HD2  HIS  33           HD2      HIS  33  10.806   3.174  -9.064
  204    HE1  HIS  33           HE1      HIS  33  12.583  -0.636  -9.708
  205    H    CYS  34           H        CYS  34  11.974   2.011  -3.596
  206    HA   CYS  34           HA       CYS  34   9.776   3.041  -2.064
  207    HB3  CYS  34           1HB      CYS  34  11.294   1.911  -0.186
  208    HG   CYS  34           HG       CYS  34   8.880   1.150  -1.060
  209    H    GLN  35           H        GLN  35  13.204   4.012  -2.152
  210    HA   GLN  35           HA       GLN  35  13.070   5.610   0.204
  211    HB3  GLN  35           1HB      GLN  35  15.035   6.820  -0.647
  212    HG3  GLN  35           1HG      GLN  35  16.610   5.114  -1.027
  213   HE21  GLN  35          2HE2      GLN  35  14.573   2.469  -0.456
  214   HE22  GLN  35          1HE2      GLN  35  14.788   2.441   1.300
  215    H    ALA  36           H        ALA  36  11.817   6.181  -2.938
  216    HA   ALA  36           HA       ALA  36  11.263   9.063  -2.515
  217    HB1  ALA  36           3HB      ALA  36  12.053   8.245  -4.722
  218    HB2  ALA  36           1HB      ALA  36  10.659   7.171  -4.840
  219    HB3  ALA  36           2HB      ALA  36  10.418   8.929  -4.826
  220    H    ALA  37           H        ALA  37   9.465   5.958  -2.681
  221    HA   ALA  37           HA       ALA  37   6.885   7.327  -2.446
  222    HB1  ALA  37           3HB      ALA  37   7.604   4.379  -2.486
  223    HB2  ALA  37           1HB      ALA  37   5.966   5.085  -2.613
  224    HB3  ALA  37           2HB      ALA  37   7.165   5.384  -3.890
  225    H    GLN  38           H        GLN  38   9.073   5.671  -0.203
  226    HA   GLN  38           HA       GLN  38   7.236   5.166   1.915
  227    HB3  GLN  38           1HB      GLN  38   9.378   5.423   3.346
  228    HG3  GLN  38           1HG      GLN  38   9.333   3.360   1.088
  229   HE21  GLN  38          2HE2      GLN  38   9.790   2.494   4.457
  230   HE22  GLN  38          1HE2      GLN  38  11.522   2.198   4.354
  231    HA   PRO  39           HA       PRO  39   8.083   9.465   3.779
  232    HB3  PRO  39           1HB      PRO  39  10.199  10.285   3.318
  233    HG3  PRO  39           1HG      PRO  39  11.185   9.989   1.148
  234    HD3  PRO  39           1HD      PRO  39  10.617   7.852   1.972
  235    H    LEU  40           H        LEU  40   7.070   8.877   0.510
  236    HA   LEU  40           HA       LEU  40   5.356  11.217   0.197
  237    HB3  LEU  40           1HB      LEU  40   4.599   8.707  -1.221
  238    HG   LEU  40           HG       LEU  40   4.617   9.884  -3.164
  239   HD11  LEU  40          1HD1      LEU  40   3.177  11.653  -2.867
  240   HD12  LEU  40          2HD1      LEU  40   3.967  12.232  -1.376
  241   HD13  LEU  40          3HD1      LEU  40   2.959  10.781  -1.350
  242   HD21  LEU  40          3HD2      LEU  40   6.403  12.005  -1.918
  243   HD22  LEU  40          1HD2      LEU  40   5.725  12.065  -3.566
  244   HD23  LEU  40          2HD2      LEU  40   6.861  10.775  -3.122
  245    H    LEU  41           H        LEU  41   4.781   7.760   0.959
  246    HA   LEU  41           HA       LEU  41   2.029   8.005   1.709
  247    HB3  LEU  41           1HB      LEU  41   2.684   5.949   3.230
  248    HG   LEU  41           HG       LEU  41   2.369   4.374   1.538
  249   HD11  LEU  41          1HD1      LEU  41   0.834   6.780   0.522
  250   HD12  LEU  41          2HD1      LEU  41   0.411   5.830   1.957
  251   HD13  LEU  41          3HD1      LEU  41   0.422   5.073   0.352
  252   HD21  LEU  41          3HD2      LEU  41   2.598   4.877  -0.876
  253   HD22  LEU  41          1HD2      LEU  41   4.123   4.948   0.022
  254   HD23  LEU  41          2HD2      LEU  41   3.333   6.444  -0.448
  255    H    ALA  42           H        ALA  42   5.022   8.214   3.664
  256    HA   ALA  42           HA       ALA  42   3.801   8.694   6.169
  257    HB1  ALA  42           3HB      ALA  42   6.401   9.910   5.136
  258    HB2  ALA  42           1HB      ALA  42   5.954   9.609   6.830
  259    HB3  ALA  42           2HB      ALA  42   6.226   8.242   5.729
  260    H    GLU  43           H        GLU  43   4.316  11.074   3.557
  261    HA   GLU  43           HA       GLU  43   3.469  13.354   5.183
  262    HB3  GLU  43           1HB      GLU  43   3.243  14.435   2.860
  263    HG3  GLU  43           1HG      GLU  43   5.783  14.322   2.484
  264    H    VAL  44           H        VAL  44   1.805  11.372   2.615
  265    HA   VAL  44           HA       VAL  44  -0.675  12.780   2.904
  266    HB   VAL  44           HB       VAL  44  -0.383  11.644   0.904
  267   HG11  VAL  44          1HG1      VAL  44  -0.226   9.291   0.556
  268   HG12  VAL  44          2HG1      VAL  44   1.112   9.891   1.476
  269   HG13  VAL  44          3HG1      VAL  44  -0.181   8.979   2.310
  270   HG21  VAL  44          3HG2      VAL  44  -2.420   9.951   2.401
  271   HG22  VAL  44          1HG2      VAL  44  -2.727  11.601   1.849
  272   HG23  VAL  44          2HG2      VAL  44  -2.391  10.324   0.664
  273    H    PHE  45           H        PHE  45   0.413   9.724   4.416
  274    HA   PHE  45           HA       PHE  45  -2.027   9.041   5.644
  275    HB3  PHE  45           1HB      PHE  45   0.220   8.125   7.249
  276    HD1  PHE  45           HD2      PHE  45  -2.251   7.278   7.862
  277    HD2  PHE  45           HD1      PHE  45   0.033   6.013   4.422
  278    HE1  PHE  45           HE2      PHE  45  -3.578   5.234   7.743
  279    HE2  PHE  45           HE1      PHE  45  -1.308   3.936   4.308
  280    HZ   PHE  45           HZ       PHE  45  -3.123   3.529   5.964
  281    H    SER  46           H        SER  46   0.266  11.448   6.695
  282    HA   SER  46           HA       SER  46  -0.385  11.608   9.457
  283    HB3  SER  46           1HB      SER  46   0.203  13.962   7.630
  284    HG   SER  46           HG       SER  46  -0.171  14.434   9.864
  285    H    ASP  47           H        ASP  47  -2.380  12.461   6.696
  286    HA   ASP  47           HA       ASP  47  -4.340  13.882   8.444
  287    HB3  ASP  47           1HB      ASP  47  -4.440  13.593   5.432
  288    H    TYR  48           H        TYR  48  -3.819  10.743   7.219
  289    HA   TYR  48           HA       TYR  48  -6.707  10.029   7.568
  290    HB3  TYR  48           1HB      TYR  48  -6.643   8.546   5.698
  291    HD1  TYR  48           HD1      TYR  48  -8.235  10.467   5.194
  292    HD2  TYR  48           HD2      TYR  48  -4.055  10.556   4.173
  293    HE1  TYR  48           HE1      TYR  48  -8.655  12.378   3.666
  294    HE2  TYR  48           HE2      TYR  48  -4.461  12.542   2.716
  295    HH   TYR  48           HH       TYR  48  -7.687  14.002   2.332
  296    HA   PRO  49           HA       PRO  49  -3.557   7.219   9.876
  297    HB3  PRO  49           1HB      PRO  49  -2.953   8.641  11.550
  298    HG3  PRO  49           1HG      PRO  49  -4.398  10.431  12.235
  299    HD3  PRO  49           1HD      PRO  49  -4.097  10.610   9.902
  300    H    GLU  50           H        GLU  50  -7.046   7.741  10.071
  301    HA   GLU  50           HA       GLU  50  -7.740   5.305  11.369
  302    HB3  GLU  50           1HB      GLU  50  -9.236   7.210  11.166
  303    HG3  GLU  50           1HG      GLU  50  -9.566   6.454   8.226
  304    H    VAL  51           H        VAL  51  -6.449   5.765   8.178
  305    HA   VAL  51           HA       VAL  51  -7.656   3.321   7.030
  306    HB   VAL  51           HB       VAL  51  -5.352   5.036   6.038
  307   HG11  VAL  51          1HG1      VAL  51  -6.874   2.807   4.627
  308   HG12  VAL  51          2HG1      VAL  51  -5.701   3.900   3.855
  309   HG13  VAL  51          3HG1      VAL  51  -5.155   2.766   5.097
  310   HG21  VAL  51          3HG2      VAL  51  -8.249   4.919   5.108
  311   HG22  VAL  51          1HG2      VAL  51  -7.508   6.247   6.032
  312   HG23  VAL  51          2HG2      VAL  51  -6.947   5.911   4.396
  313    H    GLY  52           H        GLY  52  -6.696   1.265   6.960
  314    HA2  GLY  52           1HA      GLY  52  -4.464   0.772   8.871
  315    HA3  GLY  52           2HA      GLY  52  -5.484  -0.439   8.083
  316    H    HIS  53           H        HIS  53  -2.386   0.996   8.026
  317    HA   HIS  53           HA       HIS  53  -1.903   0.290   5.193
  318    HB2  HIS  53           1HB      HIS  53  -0.947   2.365   6.507
  319    HB3  HIS  53           2HB      HIS  53   0.227   1.234   7.124
  320    HD1  HIS  53           HD1      HIS  53   2.179   2.564   5.761
  321    HD2  HIS  53           HD2      HIS  53  -0.906   0.946   3.410
  322    HE1  HIS  53           HE1      HIS  53   2.918   2.753   3.292
  323    H    LEU  54           H        LEU  54  -1.036  -1.589   4.521
  324    HA   LEU  54           HA       LEU  54   0.354  -3.381   6.478
  325    HB3  LEU  54           1HB      LEU  54  -1.325  -3.994   4.025
  326    HG   LEU  54           HG       LEU  54   0.440  -5.687   4.149
  327   HD11  LEU  54          1HD1      LEU  54   1.113  -5.552   6.511
  328   HD12  LEU  54          2HD1      LEU  54   0.613  -7.195   6.118
  329   HD13  LEU  54          3HD1      LEU  54  -0.488  -6.130   7.027
  330   HD21  LEU  54          3HD2      LEU  54  -1.874  -6.309   3.512
  331   HD22  LEU  54          1HD2      LEU  54  -2.209  -6.713   5.209
  332   HD23  LEU  54          2HD2      LEU  54  -1.000  -7.640   4.287
  333    H    LYS  55           H        LYS  55   2.446  -2.958   6.254
  334    HA   LYS  55           HA       LYS  55   3.738  -2.361   3.673
  335    HB3  LYS  55           1HB      LYS  55   5.779  -2.524   5.198
  336    HG3  LYS  55           1HG      LYS  55   3.691  -0.396   5.451
  337    HD3  LYS  55           1HD      LYS  55   5.348   1.036   6.486
  338    HE3  LYS  55           1HE      LYS  55   5.007  -1.424   8.259
  339    HZ1  LYS  55           3HZ      LYS  55   5.057   0.145  10.031
  340    HZ2  LYS  55           1HZ      LYS  55   4.994   1.443   9.014
  341    HZ3  LYS  55           2HZ      LYS  55   6.331   0.509   9.087
  342    H    VAL  56           H        VAL  56   3.596  -4.226   2.354
  343    HA   VAL  56           HA       VAL  56   4.593  -6.826   3.426
  344    HB   VAL  56           HB       VAL  56   3.457  -6.185   0.673
  345   HG11  VAL  56          1HG1      VAL  56   4.893  -8.161   0.578
  346   HG12  VAL  56          2HG1      VAL  56   4.156  -8.827   2.044
  347   HG13  VAL  56          3HG1      VAL  56   3.219  -8.694   0.548
  348   HG21  VAL  56          3HG2      VAL  56   1.696  -5.871   2.251
  349   HG22  VAL  56          1HG2      VAL  56   1.459  -7.484   1.584
  350   HG23  VAL  56          2HG2      VAL  56   2.165  -7.299   3.197
  351    H    GLU  57           H        GLU  57   6.560  -7.301   3.435
  352    HA   GLU  57           HA       GLU  57   8.492  -5.880   1.822
  353    HB3  GLU  57           1HB      GLU  57   9.133  -8.365   3.413
  354    HG3  GLU  57           1HG      GLU  57  10.475  -5.701   2.850
  355    H    ASP  58           H        ASP  58   9.000  -6.307  -0.201
  356    HA   ASP  58           HA       ASP  58   8.401  -8.970  -1.414
  357    HB3  ASP  58           1HB      ASP  58   9.023  -6.374  -2.846
  358    H    GLY  59           H        GLY  59  10.002  -9.511  -3.329
  359    HA2  GLY  59           1HA      GLY  59  12.827  -8.921  -2.883
  360    HA3  GLY  59           2HA      GLY  59  12.357 -10.485  -2.258
  361    HA   PRO  60           HA       PRO  60  13.777 -10.817  -6.738
  362    HB3  PRO  60           1HB      PRO  60  15.583 -12.318  -6.760
  363    HG3  PRO  60           1HG      PRO  60  16.160 -10.624  -5.177
  364    HD3  PRO  60           1HD      PRO  60  14.776 -10.169  -3.328
  365    H    GLY  61           H        GLY  61  12.437 -13.404  -4.627
  366    HA2  GLY  61           1HA      GLY  61  10.546 -14.240  -6.787
  367    HA3  GLY  61           2HA      GLY  61  10.775 -15.048  -5.214
  368    H    ARG  62           H        ARG  62   8.774 -12.960  -6.908
  369    HA   ARG  62           HA       ARG  62   8.320 -11.008  -4.848
  370    HB3  ARG  62           1HB      ARG  62   6.587 -10.103  -6.304
  371    HG3  ARG  62           1HG      ARG  62   8.821 -10.862  -8.183
  372    HD3  ARG  62           1HD      ARG  62   7.695  -8.167  -7.300
  373    HE   ARG  62           HE       ARG  62   9.015  -8.293  -9.854
  374   HH11  ARG  62          1HH1      ARG  62   9.827  -7.979  -6.394
  375   HH12  ARG  62          2HH1      ARG  62  11.365  -7.252  -6.770
  376   HH21  ARG  62          1HH2      ARG  62  10.983  -7.308 -10.208
  377   HH22  ARG  62          2HH2      ARG  62  11.992  -6.859  -8.871
  378    H    ARG  63           H        ARG  63   6.769 -10.704  -3.415
  379    HA   ARG  63           HA       ARG  63   5.584 -13.157  -2.397
  380    HB3  ARG  63           1HB      ARG  63   5.719 -10.358  -1.192
  381    HG3  ARG  63           1HG      ARG  63   4.011 -11.579   0.036
  382    HD3  ARG  63           1HD      ARG  63   4.454 -13.909  -0.558
  383    HE   ARG  63           HE       ARG  63   7.109 -13.427   0.555
  384   HH11  ARG  63          1HH1      ARG  63   4.761 -16.036   0.037
  385   HH12  ARG  63          2HH1      ARG  63   6.009 -17.245  -0.066
  386   HH21  ARG  63          1HH2      ARG  63   8.642 -15.033   0.434
  387   HH22  ARG  63          2HH2      ARG  63   8.177 -16.686   0.178
  388    H    LEU  64           H        LEU  64   3.926  -9.998  -2.196
  389    HA   LEU  64           HA       LEU  64   1.372 -11.428  -2.830
  390    HB3  LEU  64           1HB      LEU  64   1.827  -8.860  -1.292
  391    HG   LEU  64           HG       LEU  64  -0.514  -9.225  -1.974
  392   HD11  LEU  64          1HD1      LEU  64  -1.831 -11.115  -0.994
  393   HD12  LEU  64          2HD1      LEU  64  -0.305 -11.875  -0.473
  394   HD13  LEU  64          3HD1      LEU  64  -0.684 -11.661  -2.197
  395   HD21  LEU  64          3HD2      LEU  64   0.082  -9.731   0.983
  396   HD22  LEU  64          1HD2      LEU  64  -1.479  -9.169   0.341
  397   HD23  LEU  64          2HD2      LEU  64  -0.053  -8.151   0.165
  398    H    GLY  65           H        GLY  65   3.164  -8.476  -3.832
  399    HA2  GLY  65           1HA      GLY  65   1.113  -7.363  -5.455
  400    HA3  GLY  65           2HA      GLY  65   2.859  -7.114  -5.683
  401    H    ARG  66           H        ARG  66   3.185 -10.079  -6.059
  402    HA   ARG  66           HA       ARG  66   2.809 -10.650  -8.801
  403    HB3  ARG  66           1HB      ARG  66   2.918 -12.371  -6.303
  404    HG3  ARG  66           1HG      ARG  66   3.352 -13.228  -9.192
  405    HD3  ARG  66           1HD      ARG  66   5.061 -14.226  -7.761
  406    HE   ARG  66           HE       ARG  66   4.460 -14.339  -5.561
  407   HH11  ARG  66          1HH1      ARG  66   2.116 -16.316  -7.344
  408   HH12  ARG  66          2HH1      ARG  66   1.282 -16.792  -5.897
  409   HH21  ARG  66          1HH2      ARG  66   3.154 -14.758  -3.809
  410   HH22  ARG  66          2HH2      ARG  66   1.952 -16.013  -3.882
  411    H    SER  67           H        SER  67   0.657 -11.426  -6.008
  412    HA   SER  67           HA       SER  67  -1.441 -12.560  -7.735
  413    HB3  SER  67           1HB      SER  67  -2.480 -13.181  -5.649
  414    HG   SER  67           HG       SER  67  -0.725 -14.350  -4.676
  415    H    PHE  68           H        PHE  68  -0.698  -9.419  -6.682
  416    HA   PHE  68           HA       PHE  68  -3.463  -8.468  -7.273
  417    HB3  PHE  68           1HB      PHE  68  -2.267  -6.189  -6.875
  418    HD1  PHE  68           HD2      PHE  68  -1.338  -8.445  -4.120
  419    HD2  PHE  68           HD1      PHE  68  -4.389  -5.940  -5.805
  420    HE1  PHE  68           HE2      PHE  68  -2.550  -8.528  -1.964
  421    HE2  PHE  68           HE1      PHE  68  -5.624  -5.982  -3.654
  422    HZ   PHE  68           HZ       PHE  68  -4.723  -7.285  -1.728
  423    H    GLN  69           H        GLN  69  -0.810  -9.508  -9.014
  424    HA   GLN  69           HA       GLN  69   0.010  -9.175 -11.098
  425    HB3  GLN  69           1HB      GLN  69  -1.682  -8.715 -12.835
  426    HG3  GLN  69           1HG      GLN  69  -1.391 -10.983 -11.794
  427   HE21  GLN  69          2HE2      GLN  69  -4.249  -9.289 -10.288
  428   HE22  GLN  69          1HE2      GLN  69  -4.387 -10.543  -9.040
  429    H    VAL  70           H        VAL  70   0.823  -7.271  -9.434
  430    HA   VAL  70           HA       VAL  70   0.359  -4.549 -10.171
  431    HB   VAL  70           HB       VAL  70   2.614  -5.976  -8.728
  432   HG11  VAL  70          1HG1      VAL  70   3.352  -3.713  -7.907
  433   HG12  VAL  70          2HG1      VAL  70   3.698  -4.001  -9.612
  434   HG13  VAL  70          3HG1      VAL  70   2.318  -2.977  -9.158
  435   HG21  VAL  70          3HG2      VAL  70   0.367  -5.835  -7.615
  436   HG22  VAL  70          1HG2      VAL  70   1.620  -4.949  -6.755
  437   HG23  VAL  70          2HG2      VAL  70   0.432  -4.066  -7.748
  438    H    LYS  71           H        LYS  71   1.240  -3.183 -11.614
  439    HA   LYS  71           HA       LYS  71   2.880  -4.242 -13.826
  440    HB3  LYS  71           1HB      LYS  71   2.536  -1.667 -14.500
  441    HG3  LYS  71           1HG      LYS  71   1.700  -3.480 -15.839
  442    HD3  LYS  71           1HD      LYS  71   0.455  -4.851 -14.155
  443    HE3  LYS  71           1HE      LYS  71  -1.620  -2.628 -14.429
  444    HZ1  LYS  71           3HZ      LYS  71  -1.719  -5.185 -12.935
  445    HZ2  LYS  71           1HZ      LYS  71  -2.577  -4.868 -14.288
  446    HZ3  LYS  71           2HZ      LYS  71  -2.899  -4.035 -12.916
  447    H    LEU  72           H        LEU  72   3.378  -0.986 -12.383
  448    HA   LEU  72           HA       LEU  72   6.276  -1.531 -12.320
  449    HB3  LEU  72           1HB      LEU  72   4.993   0.994 -11.290
  450    HG   LEU  72           HG       LEU  72   7.578   0.478 -11.237
  451   HD11  LEU  72          1HD1      LEU  72   7.232   1.126 -14.193
  452   HD12  LEU  72          2HD1      LEU  72   7.759  -0.433 -13.532
  453   HD13  LEU  72          3HD1      LEU  72   8.773   0.996 -13.319
  454   HD21  LEU  72          3HD2      LEU  72   8.114   2.827 -11.850
  455   HD22  LEU  72          1HD2      LEU  72   6.679   2.709 -10.824
  456   HD23  LEU  72          2HD2      LEU  72   6.491   2.985 -12.578
  457    H    TRP  73           H        TRP  73   7.499  -1.761 -10.497
  458    HA   TRP  73           HA       TRP  73   6.341  -3.289  -8.478
  459    HB3  TRP  73           1HB      TRP  73   8.968  -1.823  -8.438
  460    HD1  TRP  73           HD       TRP  73   8.014  -5.491  -7.704
  461    HE1  TRP  73           HE1      TRP  73   8.978  -6.139  -5.431
  462    HE3  TRP  73           HE3      TRP  73   9.729  -0.899  -6.263
  463    HZ2  TRP  73           HZ2      TRP  73  10.614  -4.863  -3.371
  464    HZ3  TRP  73           HZ3      TRP  73  10.953  -0.638  -4.127
  465    HH2  TRP  73           HH       TRP  73  11.466  -2.619  -2.718
  466    HA   PRO  74           HA       PRO  74   6.449   0.201  -5.264
  467    HB3  PRO  74           1HB      PRO  74   8.025   1.813  -5.680
  468    HG3  PRO  74           1HG      PRO  74   8.369   2.677  -7.939
  469    HD3  PRO  74           1HD      PRO  74   8.707   0.329  -7.917
  470    H    THR  75           H        THR  75   4.365  -0.629  -5.263
  471    HA   THR  75           HA       THR  75   2.151   1.131  -6.185
  472    HB   THR  75           HB       THR  75   2.510  -1.827  -6.808
  473    HG1  THR  75           HG1      THR  75   3.213  -0.738  -8.511
  474   HG21  THR  75          3HG2      THR  75   0.000  -0.113  -7.091
  475   HG22  THR  75          1HG2      THR  75   0.161  -1.618  -6.144
  476   HG23  THR  75          2HG2      THR  75   0.261  -1.660  -7.905
  477    H    PHE  76           H        PHE  76   0.423   1.123  -4.947
  478    HA   PHE  76           HA       PHE  76   0.185  -0.811  -2.745
  479    HB3  PHE  76           1HB      PHE  76   1.014   0.826  -1.350
  480    HD1  PHE  76           HD1      PHE  76   2.779   1.888  -2.792
  481    HD2  PHE  76           HD2      PHE  76  -1.206   3.453  -2.283
  482    HE1  PHE  76           HE1      PHE  76   3.527   4.081  -3.704
  483    HE2  PHE  76           HE2      PHE  76  -0.436   5.638  -3.101
  484    HZ   PHE  76           HZ       PHE  76   1.897   5.939  -3.881
  485    H    VAL  77           H        VAL  77  -1.743  -1.533  -2.484
  486    HA   VAL  77           HA       VAL  77  -3.916  -0.618  -4.319
  487    HB   VAL  77           HB       VAL  77  -3.615  -3.356  -3.059
  488   HG11  VAL  77          1HG1      VAL  77  -5.273  -4.027  -4.723
  489   HG12  VAL  77          2HG1      VAL  77  -5.931  -2.643  -3.841
  490   HG13  VAL  77          3HG1      VAL  77  -5.269  -2.431  -5.455
  491   HG21  VAL  77          3HG2      VAL  77  -2.821  -4.078  -5.314
  492   HG22  VAL  77          1HG2      VAL  77  -2.804  -2.388  -5.848
  493   HG23  VAL  77          2HG2      VAL  77  -1.707  -2.927  -4.573
  494    H    PHE  78           H        PHE  78  -5.666   0.271  -3.514
  495    HA   PHE  78           HA       PHE  78  -6.065   0.402  -0.573
  496    HB3  PHE  78           1HB      PHE  78  -7.839   2.037  -1.150
  497    HD1  PHE  78           HD2      PHE  78  -5.073   2.412  -3.654
  498    HD2  PHE  78           HD1      PHE  78  -6.632   3.691   0.168
  499    HE1  PHE  78           HE2      PHE  78  -3.264   4.100  -3.464
  500    HE2  PHE  78           HE1      PHE  78  -4.865   5.448   0.262
  501    HZ   PHE  78           HZ       PHE  78  -3.219   5.654  -1.583
  502    H    LEU  79           H        LEU  79  -7.410  -0.893   0.451
  503    HA   LEU  79           HA       LEU  79  -9.295  -2.628  -1.092
  504    HB3  LEU  79           1HB      LEU  79  -8.914  -4.108   1.079
  505    HG   LEU  79           HG       LEU  79  -8.416  -4.795  -1.258
  506   HD11  LEU  79          1HD1      LEU  79  -5.997  -4.704  -1.949
  507   HD12  LEU  79          2HD1      LEU  79  -5.697  -3.600  -0.606
  508   HD13  LEU  79          3HD1      LEU  79  -6.807  -3.145  -1.924
  509   HD21  LEU  79          3HD2      LEU  79  -6.406  -5.659   0.856
  510   HD22  LEU  79          1HD2      LEU  79  -6.840  -6.545  -0.633
  511   HD23  LEU  79          2HD2      LEU  79  -8.053  -6.306   0.632
  512    H    ARG  80           H        ARG  80 -11.160  -3.236  -0.101
  513    HA   ARG  80           HA       ARG  80 -12.041  -2.407   2.518
  514    HB3  ARG  80           1HB      ARG  80 -13.676  -1.214   0.260
  515    HG3  ARG  80           1HG      ARG  80 -13.285  -0.432   3.189
  516    HD3  ARG  80           1HD      ARG  80 -13.754   1.451   1.571
  517    HE   ARG  80           HE       ARG  80 -15.978  -0.278   0.806
  518   HH11  ARG  80          1HH1      ARG  80 -15.071   3.132   1.036
  519   HH12  ARG  80          2HH1      ARG  80 -16.214   3.616  -0.181
  520   HH21  ARG  80          1HH2      ARG  80 -17.433   0.404  -0.726
  521   HH22  ARG  80          2HH2      ARG  80 -17.572   2.089  -1.138
  522    H    ASP  81           H        ASP  81 -13.709  -3.708   3.177
  523    HA   ASP  81           HA       ASP  81 -15.075  -5.530   3.245
  524    HB3  ASP  81           1HB      ASP  81 -15.759  -5.037   0.328
  525    H    GLY  82           H        GLY  82 -12.235  -5.822   2.327
  526    HA2  GLY  82           1HA      GLY  82 -10.874  -7.699   2.001
  527    HA3  GLY  82           2HA      GLY  82 -12.293  -8.661   1.545
  528    H    ARG  83           H        ARG  83 -12.511  -5.965  -0.361
  529    HA   ARG  83           HA       ARG  83 -11.060  -7.245  -2.640
  530    HB3  ARG  83           1HB      ARG  83 -12.859  -6.083  -4.000
  531    HG3  ARG  83           1HG      ARG  83 -12.877  -8.590  -3.401
  532    HD3  ARG  83           1HD      ARG  83 -15.139  -7.508  -1.674
  533    HE   ARG  83           HE       ARG  83 -15.139  -9.927  -3.088
  534   HH11  ARG  83          1HH1      ARG  83 -15.347  -9.041   0.339
  535   HH12  ARG  83          2HH1      ARG  83 -16.257 -10.461   0.741
  536   HH21  ARG  83          1HH2      ARG  83 -16.333 -11.741  -2.496
  537   HH22  ARG  83          2HH2      ARG  83 -16.816 -11.963  -0.843
  538    H    GLU  84           H        GLU  84 -10.293  -5.835  -4.211
  539    HA   GLU  84           HA       GLU  84  -9.064  -3.350  -3.323
  540    HB3  GLU  84           1HB      GLU  84  -9.296  -4.748  -6.010
  541    HG3  GLU  84           1HG      GLU  84  -7.822  -2.178  -5.397
  542    H    VAL  85           H        VAL  85  -9.837  -1.373  -3.348
  543    HA   VAL  85           HA       VAL  85 -12.304  -0.690  -4.914
  544    HB   VAL  85           HB       VAL  85 -12.390   1.375  -3.498
  545   HG11  VAL  85          1HG1      VAL  85 -13.846  -0.578  -3.113
  546   HG12  VAL  85          2HG1      VAL  85 -12.621  -1.268  -2.026
  547   HG13  VAL  85          3HG1      VAL  85 -13.445   0.252  -1.606
  548   HG21  VAL  85          3HG2      VAL  85  -9.995   1.290  -2.618
  549   HG22  VAL  85          1HG2      VAL  85 -11.239   1.509  -1.376
  550   HG23  VAL  85          2HG2      VAL  85 -10.497  -0.077  -1.606
  551    H    ALA  86           H        ALA  86  -8.895  -0.070  -4.623
  552    HA   ALA  86           HA       ALA  86  -8.691   1.225  -7.189
  553    HB1  ALA  86           3HB      ALA  86  -7.843   3.419  -6.315
  554    HB2  ALA  86           1HB      ALA  86  -9.541   3.174  -5.907
  555    HB3  ALA  86           2HB      ALA  86  -8.270   2.909  -4.678
  556    H    ARG  87           H        ARG  87  -6.330   2.133  -7.385
  557    HA   ARG  87           HA       ARG  87  -4.496   1.384  -5.308
  558    HB3  ARG  87           1HB      ARG  87  -4.556  -0.729  -6.500
  559    HG3  ARG  87           1HG      ARG  87  -3.423   0.814  -8.868
  560    HD3  ARG  87           1HD      ARG  87  -2.351  -1.360  -8.135
  561    HE   ARG  87           HE       ARG  87  -5.022  -2.386  -8.298
  562   HH11  ARG  87          1HH1      ARG  87  -1.777  -3.347  -9.392
  563   HH12  ARG  87          2HH1      ARG  87  -2.224  -5.041  -9.415
  564   HH21  ARG  87          1HH2      ARG  87  -5.441  -4.582  -8.257
  565   HH22  ARG  87          2HH2      ARG  87  -4.206  -5.714  -8.816
  566    H    VAL  88           H        VAL  88  -2.430   2.335  -5.560
  567    HA   VAL  88           HA       VAL  88  -2.217   4.451  -7.721
  568    HB   VAL  88           HB       VAL  88  -1.351   4.491  -4.855
  569   HG11  VAL  88          1HG1      VAL  88   0.536   5.469  -6.177
  570   HG12  VAL  88          2HG1      VAL  88  -0.619   6.485  -7.073
  571   HG13  VAL  88          3HG1      VAL  88  -0.330   6.776  -5.358
  572   HG21  VAL  88          3HG2      VAL  88  -3.690   5.246  -5.338
  573   HG22  VAL  88          1HG2      VAL  88  -2.664   6.461  -4.549
  574   HG23  VAL  88          2HG2      VAL  88  -3.015   6.566  -6.308
  575    H    VAL  89           H        VAL  89  -0.710   4.001  -9.110
  576    HA   VAL  89           HA       VAL  89   1.634   2.263  -8.409
  577    HB   VAL  89           HB       VAL  89   0.406   2.848 -11.136
  578   HG11  VAL  89          1HG1      VAL  89   1.931   1.071 -12.010
  579   HG12  VAL  89          2HG1      VAL  89   2.805   2.475 -11.388
  580   HG13  VAL  89          3HG1      VAL  89   2.708   0.992 -10.419
  581   HG21  VAL  89          3HG2      VAL  89  -1.092   1.352  -9.916
  582   HG22  VAL  89          1HG2      VAL  89  -0.287   0.496 -11.237
  583   HG23  VAL  89          2HG2      VAL  89   0.263   0.261  -9.562
  584    H    ARG  90           H        ARG  90   3.569   3.323  -8.379
  585    HA   ARG  90           HA       ARG  90   5.136   4.948  -8.502
  586    HB3  ARG  90           1HB      ARG  90   3.933   5.594 -11.209
  587    HG3  ARG  90           1HG      ARG  90   6.832   5.543 -10.262
  588    HD3  ARG  90           1HD      ARG  90   5.491   6.735 -12.724
  589    HE   ARG  90           HE       ARG  90   8.064   7.265 -11.622
  590   HH11  ARG  90          1HH1      ARG  90   6.648   6.526 -14.775
  591   HH12  ARG  90          2HH1      ARG  90   7.906   7.352 -15.641
  592   HH21  ARG  90          1HH2      ARG  90   9.663   8.287 -12.788
  593   HH22  ARG  90          2HH2      ARG  90   9.610   8.329 -14.531
  594    HA   PRO  91           HA       PRO  91   2.218   8.385  -7.114
  595    HB3  PRO  91           1HB      PRO  91   2.342   7.754  -4.975
  596    HG3  PRO  91           1HG      PRO  91   4.245   6.573  -4.094
  597    HD3  PRO  91           1HD      PRO  91   3.533   5.330  -5.999
  598    H    GLY  92           H        GLY  92   2.559  10.192  -8.332
  599    HA2  GLY  92           1HA      GLY  92   5.239  11.045  -9.107
  600    HA3  GLY  92           2HA      GLY  92   3.696  11.773  -9.595
  601    H    SER  93           H        SER  93   2.976  12.072  -6.680
  602    HA   SER  93           HA       SER  93   4.730  13.783  -5.258
  603    HB3  SER  93           1HB      SER  93   2.581  15.299  -6.795
  604    HG   SER  93           HG       SER  93   3.740  17.098  -5.829
  605    H    ALA  94           H        ALA  94   3.548  14.809  -3.390
  606    HA   ALA  94           HA       ALA  94   1.622  13.134  -2.122
  607    HB1  ALA  94           3HB      ALA  94   3.151  14.700  -0.952
  608    HB2  ALA  94           1HB      ALA  94   2.304  16.081  -1.708
  609    HB3  ALA  94           2HB      ALA  94   1.445  15.034  -0.559
  610    H    SER  95           H        SER  95   1.195  16.014  -4.209
  611    HA   SER  95           HA       SER  95  -1.601  16.288  -3.938
  612    HB3  SER  95           1HB      SER  95  -1.522  17.474  -6.069
  613    HG   SER  95           HG       SER  95   0.204  18.898  -5.609
  614    H    VAL  96           H        VAL  96   0.110  13.726  -5.624
  615    HA   VAL  96           HA       VAL  96  -2.324  12.816  -7.074
  616    HB   VAL  96           HB       VAL  96   0.474  11.586  -6.933
  617   HG11  VAL  96          1HG1      VAL  96  -1.188   9.895  -7.488
  618   HG12  VAL  96          2HG1      VAL  96  -1.879  10.942  -8.752
  619   HG13  VAL  96          3HG1      VAL  96  -0.237  10.287  -8.917
  620   HG21  VAL  96          3HG2      VAL  96   0.626  13.743  -8.070
  621   HG22  VAL  96          1HG2      VAL  96   0.757  12.434  -9.250
  622   HG23  VAL  96          2HG2      VAL  96  -0.762  13.336  -9.098
  623    H    LEU  97           H        LEU  97  -0.104  11.820  -4.417
  624    HA   LEU  97           HA       LEU  97  -1.530   9.381  -3.846
  625    HB3  LEU  97           1HB      LEU  97   0.025  10.479  -1.613
  626    HG   LEU  97           HG       LEU  97   0.544   8.192  -3.601
  627   HD11  LEU  97          1HD1      LEU  97   2.588   8.810  -2.460
  628   HD12  LEU  97          2HD1      LEU  97   1.997   7.262  -1.901
  629   HD13  LEU  97          3HD1      LEU  97   1.790   8.689  -0.865
  630   HD21  LEU  97          3HD2      LEU  97  -1.460   7.575  -2.575
  631   HD22  LEU  97          1HD2      LEU  97  -1.096   8.449  -1.093
  632   HD23  LEU  97          2HD2      LEU  97  -0.288   6.917  -1.408
  633    H    GLU  98           H        GLU  98  -1.555  12.541  -2.137
  634    HA   GLU  98           HA       GLU  98  -3.550  11.953  -0.243
  635    HB3  GLU  98           1HB      GLU  98  -4.013  14.398  -0.267
  636    HG3  GLU  98           1HG      GLU  98  -1.025  13.775  -0.243
  637    H    GLU  99           H        GLU  99  -3.964  13.157  -3.606
  638    HA   GLU  99           HA       GLU  99  -6.758  13.494  -3.626
  639    HB3  GLU  99           1HB      GLU  99  -4.764  12.705  -5.783
  640    HG3  GLU  99           1HG      GLU  99  -7.720  13.277  -6.043
  641    H    ALA 100           H        ALA 100  -4.866  10.484  -4.142
  642    HA   ALA 100           HA       ALA 100  -7.274   8.901  -4.638
  643    HB1  ALA 100           3HB      ALA 100  -5.089   8.313  -5.583
  644    HB2  ALA 100           1HB      ALA 100  -4.420   8.100  -3.938
  645    HB3  ALA 100           2HB      ALA 100  -5.700   7.006  -4.533
  646    H    PHE 101           H        PHE 101  -5.308   9.723  -1.737
  647    HA   PHE 101           HA       PHE 101  -6.427   7.695  -0.027
  648    HB3  PHE 101           1HB      PHE 101  -5.802   9.707   1.671
  649    HD1  PHE 101           HD2      PHE 101  -3.322   7.986  -0.702
  650    HD2  PHE 101           HD1      PHE 101  -5.068   8.182   3.259
  651    HE1  PHE 101           HE2      PHE 101  -1.729   6.326   0.113
  652    HE2  PHE 101           HE1      PHE 101  -3.448   6.491   4.045
  653    HZ   PHE 101           HZ       PHE 101  -1.766   5.562   2.439
  654    H    GLU 102           H        GLU 102  -7.275  11.154  -0.475
  655    HA   GLU 102           HA       GLU 102  -9.554  11.071   1.256
  656    HB3  GLU 102           1HB      GLU 102  -8.833  13.213   0.820
  657    HG3  GLU 102           1HG      GLU 102  -8.617  12.482  -2.030
  658    H    SER 103           H        SER 103  -9.208  10.252  -2.179
  659    HA   SER 103           HA       SER 103 -12.016  10.054  -2.748
  660    HB3  SER 103           1HB      SER 103 -11.091   8.687  -4.718
  661    HG   SER 103           HG       SER 103  -9.580  11.035  -4.532
  662    H    LEU 104           H        LEU 104  -9.743   7.751  -1.272
  663    HA   LEU 104           HA       LEU 104 -11.784   5.568  -1.404
  664    HB3  LEU 104           1HB      LEU 104  -9.807   4.210  -0.559
  665    HG   LEU 104           HG       LEU 104  -8.957   3.713  -2.628
  666   HD11  LEU 104          1HD1      LEU 104 -11.555   4.969  -3.527
  667   HD12  LEU 104          2HD1      LEU 104 -11.501   3.540  -2.476
  668   HD13  LEU 104          3HD1      LEU 104 -10.807   3.484  -4.092
  669   HD21  LEU 104          3HD2      LEU 104  -9.518   6.509  -3.668
  670   HD22  LEU 104          1HD2      LEU 104  -9.018   5.166  -4.666
  671   HD23  LEU 104          2HD2      LEU 104  -7.931   5.720  -3.397
  672    H    VAL 105           H        VAL 105 -10.219   7.681   0.919
  673    HA   VAL 105           HA       VAL 105 -11.243   6.274   3.219
  674    HB   VAL 105           HB       VAL 105  -9.343   8.129   3.013
  675   HG11  VAL 105          1HG1      VAL 105 -10.992   9.928   2.332
  676   HG12  VAL 105          2HG1      VAL 105 -11.630   9.868   3.977
  677   HG13  VAL 105          3HG1      VAL 105  -9.947  10.337   3.691
  678   HG21  VAL 105          3HG2      VAL 105  -9.873   6.793   5.001
  679   HG22  VAL 105          1HG2      VAL 105  -9.356   8.446   5.344
  680   HG23  VAL 105          2HG2      VAL 105 -11.077   8.013   5.477
  681    H    GLY 106           H        GLY 106 -12.656   8.412   0.886
  682    HA2  GLY 106           1HA      GLY 106 -14.939   8.704   0.543
  683    HA3  GLY 106           2HA      GLY 106 -15.286   8.372   2.258
  684    H    GLU 107           H        GLU 107 -12.757  10.655   1.724
  685    HA   GLU 107           HA       GLU 107 -14.483  12.889   2.663
  686    HB3  GLU 107           1HB      GLU 107 -12.094  13.973   2.811
  687    HG3  GLU 107           1HG      GLU 107 -11.607  12.760   4.961
  688    H    GLY 108           H        GLY 108 -13.009  11.759  -0.261
  689    HA2  GLY 108           1HA      GLY 108 -12.660  14.279  -1.607
  690    HA3  GLY 108           2HA      GLY 108 -12.646  12.654  -2.343