*HEADER    TOXIN                                   16-SEP-16   5TCZ              
*TITLE     NMR SOLUTION STRUCTURE OF ENGINEERED PROTOXIN-II ANALOG               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BETA/OMEGA-THERAPHOTOXIN-TP2A;                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: THRIXOPELMA PRURIENS;                           
*SOURCE   4 ORGANISM_COMMON: PERUVIAN GREEN VELVET TARANTULA;                    
*SOURCE   5 ORGANISM_TAXID: 213387                                               
*KEYWDS    VENOM PEPTIDE ANALOG, INHIBITOR, CYSTINE KNOT, TOXIN                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.C.GIBBS,A.D.WICKENDEN                                               
*REVDAT   1   18-JAN-17 5TCZ    0                                                
# Restraints file 1: final.upl
 10 THR  HA     26 TRP  HE1     5.50            #peak     8 #SUP  0.65  #QF  0.65
 18 CYSS H      27 CYSS HB3     5.03            #peak    22 #SUP  0.77  #QF  0.77
 18 CYSS H      27 CYSS HB2     4.73            #peak    31 #SUP  0.83  #QF  0.83
  4 CYSS HB3    18 CYSS H       4.17            #peak    32 #SUP  0.88  #QF  0.88
 15 ARG  HD3    18 CYSS H       5.16            #peak    35 #SUP  0.93  #QF  0.93
  5 GLN  HB3    18 CYSS H       4.19            #peak    42 #SUP  0.97  #QF  0.97
 28 LYS  H      29 LYS  HA      5.22            #peak    51 #SUP  0.99  #QF  0.99
 27 CYSS HB2    28 LYS  H       4.66            #peak    52 #SUP  1.00
 27 CYSS HB3    28 LYS  H       4.02            #peak    54 #SUP  0.99  #QF  0.99
 21 MET  HB2    28 LYS  H       4.03            #peak    55 #SUP  0.94  #QF  0.94
 28 LYS  H      28 LYS  HB3     3.81            #peak    59 #SUP  1.00
 28 LYS  H      28 LYS  HD3     4.58            #peak    61 #SUP  0.90  #QF  0.90
  5 GLN  H      27 CYSS HB3     5.37            #peak    63 #SUP  0.98  #QF  0.98
  5 GLN  H      17 CYSS HA      5.49            #peak    68 #SUP  0.64  #QF  0.64
  5 GLN  H       6 LYS  HA      5.50            #peak    69 #SUP  0.93  #QF  0.93
  5 GLN  H       6 LYS  HB3     5.50            #peak    73 #SUP  0.99  #QF  0.99
  8 MET  H      26 TRP  HA      5.50            #peak    77 #SUP  0.40  #QF  0.40
  6 LYS  HA      8 MET  H       4.52            #peak    80 #SUP  0.76  #QF  0.76
  5 GLN  H      27 CYSS HB2     4.85            #peak    82 #SUP  0.91  #QF  0.91
  6 LYS  HB3     8 MET  H       5.50            #peak    85 #SUP  0.64  #QF  0.64
  8 MET  H       8 MET  HG2     3.95            #peak    86 #SUP  0.98  #QF  0.98
  8 MET  H       8 MET  HG3     3.95            #peak    87 #SUP  0.99  #QF  0.99
 21 MET  HA     22 VAL  H       2.93            #peak    91 #SUP  0.88  #QF  0.88
 16 LYS  HA     17 CYSS H       2.77            #peak    93 #SUP  0.74  #QF  0.74
 22 VAL  H      29 LYS  HA      4.59            #peak    94 #SUP  0.99  #QF  0.99
 22 VAL  H      30 LYS  HA      5.50            #peak    95 #SUP  0.67  #QF  0.67
 15 ARG  HD2    17 CYSS H       5.40            #peak    97 #SUP  1.00
 21 MET  HB3    22 VAL  H       4.79            #peak    99 #SUP  1.00  #QF  0.40
 21 MET  HB2    22 VAL  H       3.34            #peak   100 #SUP  0.90  #QF  0.90
 22 VAL  H      22 VAL  HB      2.83            #peak   102 #SUP  0.30  #QF  0.30
 22 VAL  HA     23 CYSS H       2.87            #peak   111 #SUP  0.77  #QF  0.77
 11 CYSS HB3    23 CYSS H       5.50            #peak   112 #SUP  0.68  #QF  0.68
 22 VAL  HB     23 CYSS H       3.98            #peak   115 #SUP  0.97  #QF  0.97
 23 CYSS H      24 ARG  HB2     4.80            #peak   116 #SUP  0.92  #QF  0.92
 11 CYSS HA     12 ASP  H       3.04            #peak   130 #SUP  0.94  #QF  0.94
 11 CYSS HB3    12 ASP  H       4.31            #peak   132 #SUP  1.00
 12 ASP  H      12 ASP  HB3     3.92            #peak   134 #SUP  0.99  #QF  0.99
 12 ASP  H      15 ARG  HB3     3.31            #peak   135 #SUP  0.95  #QF  0.95
 12 ASP  H      15 ARG  HB2     4.68            #peak   136 #SUP  1.00
  6 LYS  H       8 MET  H       5.50            #peak   154 #SUP  0.99  #QF  0.94
 10 THR  HA     27 CYSS H       5.05            #peak   157 #SUP  0.90  #QF  0.90
  8 MET  HA     27 CYSS H       4.23            #peak   158 #SUP  1.00
 27 CYSS H      27 CYSS HB2     3.19            #peak   159 #SUP  0.98  #QF  0.98
 27 CYSS H      27 CYSS HB3     3.62            #peak   160 #SUP  0.99  #QF  0.99
  9 GLN  HG3    27 CYSS H       4.27            #peak   167 #SUP  0.91  #QF  0.91
 21 MET  HB2    29 LYS  H       4.27            #peak   168 #SUP  1.00
  6 LYS  H       6 LYS  HB3     3.20            #peak   169 #SUP  0.87  #QF  0.87
  5 GLN  HB3     6 LYS  H       5.50            #peak   172 #SUP  1.00
  9 GLN  HG3    10 THR  H       4.20            #peak   182 #SUP  0.95  #QF  0.95
  9 GLN  HB2    10 THR  H       4.06            #peak   183 #SUP  0.96  #QF  0.96
  8 MET  H       9 GLN  H       4.45            #peak   191 #SUP  0.93  #QF  0.93
 10 THR  H      27 CYSS HB2     5.50            #peak   196 #SUP  1.00
 13 SER  H      13 SER  HB2     3.60            #peak   201 #SUP  0.99  #QF  0.99
 13 SER  H      13 SER  HB3     3.60            #peak   202 #SUP  1.00
 21 MET  HA     31 LEU  H       5.50            #peak   206 #SUP  0.98  #QF  0.98
 30 LYS  HA     31 LEU  H       3.03            #peak   207 #SUP  0.97  #QF  0.97
  9 GLN  H       9 GLN  HB2     3.59            #peak   210 #SUP  0.99  #QF  0.99
 31 LEU  H      31 LEU  HB3     3.11            #peak   213 #SUP  0.83  #QF  0.83
 29 LYS  HA     31 LEU  H       4.35            #peak   216 #SUP  0.98  #QF  0.98
 31 LEU  H      31 LEU  HG      5.50            #peak   219 #SUP  1.00
 14 GLU  H      15 ARG  H       2.40            #peak   222 #SUP  0.53  #QF  0.53
 14 GLU  H      15 ARG  HA      4.53            #peak   223 #SUP  1.00
 14 GLU  H      14 GLU  HG3     4.84            #peak   227 #SUP  0.90  #QF  0.90
 14 GLU  H      15 ARG  HB3     4.81            #peak   230 #SUP  1.00  #QF  0.50
 14 GLU  H      15 ARG  HB2     4.22            #peak   231 #SUP  0.98  #QF  0.98
 12 ASP  H      15 ARG  H       5.50            #peak   232 #SUP  1.00
 11 CYSS HA     15 ARG  H       5.05            #peak   234 #SUP  1.00
 14 GLU  HB2    15 ARG  H       4.90            #peak   238 #SUP  1.00
 15 ARG  H      15 ARG  HB3     3.20            #peak   239 #SUP  0.93  #QF  0.93
 15 ARG  H      15 ARG  HB2     3.59            #peak   241 #SUP  0.99  #QF  0.99
 24 ARG  H      24 ARG  HG3     4.45            #peak   245 #SUP  1.00
 24 ARG  H      26 TRP  HA      5.50            #peak   246 #SUP  0.67  #QF  0.67
 29 LYS  HB3    30 LYS  H       3.77            #peak   256 #SUP  0.98  #QF  0.98
 29 LYS  HB2    30 LYS  H       5.26            #peak   258 #SUP  1.00
 30 LYS  H      31 LEU  HB3     5.50            #peak   258 #SUP  1.00
 30 LYS  H      31 LEU  HB2     3.57            #peak   260 #SUP  0.98  #QF  0.98
 24 ARG  HB3    25 LEU  H       4.15            #peak   265 #SUP  1.00
 24 ARG  HG3    25 LEU  H       5.00            #peak   267 #SUP  1.00
 25 LEU  H      25 LEU  HG      3.53            #peak   269 #SUP  0.96  #QF  0.96
 23 CYSS HA     25 LEU  H       5.50            #peak   273 #SUP  0.77  #QF  0.57
 23 CYSS HA     26 TRP  H       5.50            #peak   273 #SUP  0.77  #QF  0.57
 25 LEU  HB2    26 TRP  H       4.82            #peak   275 #SUP  1.00
 15 ARG  HB3    16 LYS  H       4.02            #peak   283 #SUP  1.00  #QF  0.64
 15 ARG  HD2    16 LYS  H       4.82            #peak   291 #SUP  1.00  #QF  0.70
 31 LEU  HB2    32 LEU  H       4.45            #peak   302 #SUP  1.00
 31 LEU  HB3    32 LEU  H       4.02            #peak   307 #SUP  0.99  #QF  0.99
  9 GLN  HB2     9 GLN  HE21    3.30            #peak   328 #SUP  0.75  #QF  0.60
 15 ARG  HG2    15 ARG  HH11    3.98            #peak   386 #SUP  0.72  #QF  0.72
 15 ARG  HG3    15 ARG  HH11    3.98            #peak   388 #SUP  0.93  #QF  0.93
 10 THR  H      15 ARG  HH11    5.50            #peak   392 #SUP  0.65  #QF  0.65
 10 THR  HA     15 ARG  HH11    5.50            #peak   395 #SUP  0.98  #QF  0.51
 15 ARG  HA     15 ARG  HH11    5.50            #peak   395 #SUP  0.98  #QF  0.51
  9 GLN  HB2     9 GLN  HE22    4.99            #peak   404 #SUP  1.00
  5 GLN  HB2     5 GLN  HE22    5.05            #peak   411 #SUP  1.00
  5 GLN  HB3     5 GLN  HE22    4.12            #peak   412 #SUP  1.00
 26 TRP  HA     27 CYSS H       2.94            #peak   418 #SUP  0.98  #QF  0.98
 10 THR  H      26 TRP  HA      5.50            #peak   419 #SUP  1.00  #QF  0.98
 11 CYSS H      26 TRP  HA      3.25            #peak   421 #SUP  1.00
 10 THR  HA     26 TRP  HA      2.91            #peak   425 #SUP  0.93  #QF  0.93
  8 MET  HA     26 TRP  HA      4.69            #peak   427 #SUP  1.00
 23 CYSS HA     26 TRP  HA      5.50            #peak   433 #SUP  0.42  #QF  0.42
 11 CYSS HA     12 ASP  HA      4.51            #peak   437 #SUP  1.00
 21 MET  HA     28 LYS  H       5.50            #peak   442 #SUP  0.54  #QF  0.54
 21 MET  HA     30 LYS  H       3.42            #peak   444 #SUP  0.92  #QF  0.92
 11 CYSS HA     26 TRP  HA      4.98            #peak   446 #SUP  0.98  #QF  0.98
 11 CYSS HA     23 CYSS HA      5.32            #peak   448 #SUP  0.80  #QF  0.80
 21 MET  HA     22 VAL  HA      4.37            #peak   449 #SUP  0.84  #QF  0.84
 21 MET  HA     29 LYS  HA      3.90            #peak   450 #SUP  1.00
  9 GLN  HB2    11 CYSS HA      5.41            #peak   454 #SUP  0.81  #QF  0.81
  4 CYSS HA      8 MET  H       5.50            #peak   461 #SUP  0.77  #QF  0.77
 28 LYS  HA     29 LYS  H       3.53            #peak   462 #SUP  1.00
 28 LYS  HA     29 LYS  HA      5.33            #peak   465 #SUP  1.00
  3 TYR  HA      4 CYSS HA      4.68            #peak   468 #SUP  0.86  #QF  0.86
  4 CYSS HA      5 GLN  HA      5.50            #peak   469 #SUP  1.00  #QF  0.93
 17 CYSS HA     18 CYSS HA      4.43            #peak   475 #SUP  0.94  #QF  0.94
 17 CYSS HA     19 GLU  H       5.50            #peak   480 #SUP  0.96  #QF  0.96
 15 ARG  HD3    17 CYSS HA      3.68            #peak   483 #SUP  0.91  #QF  0.91
  4 CYSS HA      9 GLN  HB2     5.50            #peak   484 #SUP  1.00  #QF  0.82
  9 GLN  HB2    17 CYSS HA      4.99            #peak   485 #SUP  0.92  #QF  0.92
 17 CYSS HA     18 CYSS H       2.89            #peak   488 #SUP  0.79  #QF  0.79
  5 GLN  HA     17 CYSS HA      5.50            #peak   490 #SUP  0.99  #QF  0.92
 16 LYS  HA     17 CYSS HA      4.87            #peak   491 #SUP  0.89  #QF  0.89
 27 CYSS HA     28 LYS  H       2.69            #peak   495 #SUP  0.68  #QF  0.68
 24 ARG  H      27 CYSS HA      4.18            #peak   497 #SUP  0.40  #QF  0.40
 23 CYSS HA     27 CYSS HA      5.50            #peak   499 #SUP  0.96  #QF  0.96
  4 CYSS HA      7 TRP  HA      5.50            #peak   508 #SUP  0.72  #QF  0.72
 23 CYSS HA     24 ARG  HH11    5.31            #peak   512 #SUP  0.97  #QF  0.97
 23 CYSS HA     28 LYS  H       5.50            #peak   513 #SUP  0.70  #QF  0.70
 23 CYSS HA     24 ARG  H       3.23            #peak   514 #SUP  0.88  #QF  0.88
  3 TYR  HA      4 CYSS H       2.95            #peak   520 #SUP  0.72  #QF  0.72
  9 GLN  H       9 GLN  HA      2.82            #peak   527 #SUP  0.94  #QF  0.94
  9 GLN  HA     10 THR  HB      4.86            #peak   530 #SUP  0.76  #QF  0.76
  9 GLN  HA      9 GLN  HB2     3.02            #peak   533 #SUP  1.00
  8 MET  HB3     9 GLN  HA      5.50            #peak   534 #SUP  0.93  #QF  0.93
  9 GLN  HA     15 ARG  HD2     5.50            #peak   535 #SUP  0.80  #QF  0.80
  5 GLN  H      18 CYSS HA      5.50            #peak   545 #SUP  0.89  #QF  0.89
  4 CYSS HA      9 GLN  HA      5.50            #peak   546 #SUP  1.00  #QF  0.95
  4 CYSS HB3     9 GLN  HA      4.38            #peak   547 #SUP  0.52  #QF  0.52
  4 CYSS HB2    18 CYSS HA      4.40            #peak   548 #SUP  0.95  #QF  0.95
 24 ARG  HA     26 TRP  H       4.72            #peak   550 #SUP  0.80  #QF  0.80
 24 ARG  HA     25 LEU  H       2.69            #peak   552 #SUP  0.69  #QF  0.69
 10 THR  HA     25 LEU  HA      4.70            #peak   553 #SUP  1.00  #QF  0.60
 24 ARG  HA     25 LEU  HA      5.17            #peak   553 #SUP  1.00  #QF  0.60
 24 ARG  HA     24 ARG  HG3     3.51            #peak   559 #SUP  1.00
 15 ARG  HA     16 LYS  H       2.59            #peak   562 #SUP  0.72  #QF  0.72
 15 ARG  HA     16 LYS  HA      4.56            #peak   563 #SUP  0.99  #QF  0.99
 15 ARG  HA     15 ARG  HG3     3.96            #peak   566 #SUP  0.95  #QF  0.95
 10 THR  HA     11 CYSS H       2.64            #peak   570 #SUP  0.78  #QF  0.78
 10 THR  HA     11 CYSS HA      4.94            #peak   573 #SUP  0.96  #QF  0.29
 22 VAL  HA     22 VAL  HB      2.92            #peak   579 #SUP  0.82  #QF  0.82
 24 ARG  HA     24 ARG  HG2     3.63            #peak   580 #SUP  0.95  #QF  0.95
 14 GLU  HA     14 GLU  HG2     4.11            #peak   585 #SUP  1.00  #QF  0.95
  5 GLN  HA     27 CYSS H       4.29            #peak   593 #SUP  1.00
  5 GLN  HA      9 GLN  HE21    5.50            #peak   600 #SUP  0.95  #QF  0.95
  5 GLN  HA      6 LYS  HA      5.50            #peak   602 #SUP  1.00  #QF  0.92
  5 GLN  HA     27 CYSS HB2     3.44            #peak   604 #SUP  0.96  #QF  0.96
 12 ASP  HA     13 SER  H       3.02            #peak   607 #SUP  1.00  #QF  0.85
 12 ASP  HA     13 SER  HA      5.50            #peak   610 #SUP  1.00
 11 CYSS HB3    12 ASP  HA      4.32            #peak   615 #SUP  0.25  #QF  0.25
 31 LEU  HA     32 LEU  H       3.01            #peak   619 #SUP  0.76  #QF  0.76
 30 LYS  HA     31 LEU  HA      5.50            #peak   621 #SUP  1.00
 31 LEU  HA     32 LEU  HA      5.50            #peak   621 #SUP  1.00
 29 LYS  HA     30 LYS  H       2.68            #peak   631 #SUP  0.98  #QF  0.98
 29 LYS  HA     30 LYS  HA      5.50            #peak   635 #SUP  1.00
 21 MET  HB2    29 LYS  HA      3.47            #peak   637 #SUP  1.00
 10 THR  H      10 THR  HB      3.88            #peak   642 #SUP  0.95  #QF  0.95
  6 LYS  HA      7 TRP  HB2     5.50            #peak   660 #SUP  0.98  #QF  0.98
 31 LEU  HB3    32 LEU  HA      5.38            #peak   662 #SUP  1.00
 13 SER  HB2    14 GLU  H       4.60            #peak   686 #SUP  0.95  #QF  0.95
 13 SER  HB3    14 GLU  H       4.60            #peak   692 #SUP  1.00
  8 MET  HA     10 THR  H       4.74            #peak   701 #SUP  1.00
  5 GLN  HA      8 MET  HA      5.01            #peak   706 #SUP  0.65  #QF  0.65
 24 ARG  H      25 LEU  HA      5.50            #peak   723 #SUP  0.50  #QF  0.50
 25 LEU  H      25 LEU  HA      2.54            #peak   724 #SUP  0.91  #QF  0.91
 11 CYSS H      25 LEU  HA      5.17            #peak   725 #SUP  0.32  #QF  0.32
  9 GLN  H      27 CYSS HB2     4.79            #peak   765 #SUP  0.98  #QF  0.98
 26 TRP  HA     27 CYSS HB2     5.47            #peak   768 #SUP  1.00
  8 MET  HA     27 CYSS HB2     5.19            #peak   771 #SUP  0.89  #QF  0.89
  7 TRP  HB2     8 MET  H       4.49            #peak   788 #SUP  1.00
 19 GLU  H      27 CYSS HB3     5.34            #peak   798 #SUP  0.82  #QF  0.33
 11 CYSS HB2    26 TRP  H       5.50            #peak   798 #SUP  0.82  #QF  0.33
 11 CYSS HB2    12 ASP  H       4.79            #peak   799 #SUP  1.00
 12 ASP  H      15 ARG  HD2     5.31            #peak   799 #SUP  1.00
 11 CYSS H      11 CYSS HB2     4.06            #peak   800 #SUP  1.00
 11 CYSS HB2    26 TRP  HA      5.43            #peak   801 #SUP  0.99  #QF  0.99
  4 CYSS HA      7 TRP  HB2     4.60            #peak   805 #SUP  0.90  #QF  0.77
 15 ARG  HB2    15 ARG  HD2     4.11            #peak   821 #SUP  1.00  #QF  0.49
  9 GLN  HE21   15 ARG  HD2     3.42            #peak   822 #SUP  0.88  #QF  0.88
  4 CYSS HB3     5 GLN  H       4.09            #peak   824 #SUP  0.99  #QF  0.99
 12 ASP  HB3    13 SER  HA      4.52            #peak   827 #SUP  1.00
 12 ASP  HB3    13 SER  HB2     4.61            #peak   829 #SUP  0.88  #QF  0.88
 12 ASP  HB3    13 SER  H       2.49            #peak   835 #SUP  0.85  #QF  0.85
 12 ASP  HB3    14 GLU  H       3.93            #peak   836 #SUP  0.89  #QF  0.89
  4 CYSS H       4 CYSS HB3     3.85            #peak   837 #SUP  0.98  #QF  0.98
 12 ASP  HA     12 ASP  HB3     2.76            #peak   839 #SUP  0.98  #QF  0.98
 12 ASP  HB3    13 SER  HB3     4.61            #peak   840 #SUP  0.89  #QF  0.89
  5 GLN  HE21   19 GLU  HG2     3.46            #peak   857 #SUP  0.72  #QF  0.72
 15 ARG  HD3    16 LYS  H       4.13            #peak   858 #SUP  0.91  #QF  0.58
 11 CYSS HA     15 ARG  HD3     4.45            #peak   861 #SUP  0.90  #QF  0.90
 15 ARG  HD3    17 CYSS H       4.41            #peak   870 #SUP  1.00
  9 GLN  HE21   15 ARG  HD3     5.38            #peak   871 #SUP  1.00
  4 CYSS HB2    18 CYSS H       3.62            #peak   879 #SUP  0.90  #QF  0.90
  4 CYSS HB2     5 GLN  H       3.62            #peak   880 #SUP  0.91  #QF  0.91
 10 THR  H      26 TRP  HB3     4.89            #peak   881 #SUP  0.99  #QF  0.69
  4 CYSS H       4 CYSS HB2     4.02            #peak   882 #SUP  1.00
  4 CYSS HA      7 TRP  HB3     3.95            #peak   883 #SUP  1.00
  7 TRP  HB3     8 MET  H       5.50            #peak   893 #SUP  1.00
  8 MET  H      26 TRP  HB3     5.50            #peak   893 #SUP  1.00
 26 TRP  HB3    27 CYSS H       3.79            #peak   894 #SUP  1.00
 11 CYSS H      26 TRP  HB3     4.75            #peak   896 #SUP  1.00
 26 TRP  HA     26 TRP  HB3     2.91            #peak   899 #SUP  0.99  #QF  0.99
 10 THR  HA     26 TRP  HB3     3.85            #peak   900 #SUP  0.99  #QF  0.99
  8 MET  HA     26 TRP  HB3     3.17            #peak   901 #SUP  0.97  #QF  0.97
 10 THR  H      26 TRP  HB2     4.54            #peak   921 #SUP  0.97  #QF  0.97
  5 GLN  HE21   19 GLU  HG3     3.46            #peak   923 #SUP  0.92  #QF  0.92
  8 MET  H      26 TRP  HB2     5.34            #peak   934 #SUP  1.00
 26 TRP  HB2    27 CYSS H       3.24            #peak   935 #SUP  0.24  #QF  0.24
 26 TRP  H      26 TRP  HB2     3.89            #peak   936 #SUP  1.00
 11 CYSS H      26 TRP  HB2     5.09            #peak   937 #SUP  1.00
 26 TRP  HA     26 TRP  HB2     3.00            #peak   940 #SUP  1.00
 10 THR  HA     26 TRP  HB2     5.11            #peak   941 #SUP  1.00
  8 MET  HA     26 TRP  HB2     3.27            #peak   942 #SUP  0.92  #QF  0.92
 21 MET  H      21 MET  HB3     4.03            #peak   968 #SUP  0.99  #QF  0.89
 21 MET  HB3    29 LYS  HA      3.81            #peak   970 #SUP  1.00
  9 GLN  HG2    27 CYSS H       4.27            #peak   976 #SUP  0.99  #QF  0.84
 21 MET  HB3    29 LYS  H       4.56            #peak   976 #SUP  0.99  #QF  0.84
  9 GLN  HG2    10 THR  H       4.20            #peak   977 #SUP  0.97  #QF  0.93
  9 GLN  H       9 GLN  HG2     3.40            #peak   978 #SUP  0.93  #QF  0.93
  5 GLN  HA      9 GLN  HG2     4.58            #peak   981 #SUP  0.54  #QF  0.54
  9 GLN  H       9 GLN  HG3     3.40            #peak  1008 #SUP  0.90  #QF  0.90
 14 GLU  H      14 GLU  HG2     4.84            #peak  1010 #SUP  1.00
  5 GLN  HA      9 GLN  HG3     4.58            #peak  1011 #SUP  1.00  #QF  0.86
 14 GLU  HA     14 GLU  HG3     4.11            #peak  1017 #SUP  1.00
 21 MET  HB2    30 LYS  H       4.95            #peak  1023 #SUP  1.00
 21 MET  H      21 MET  HB2     3.70            #peak  1024 #SUP  0.98  #QF  0.98
  9 GLN  HB2    15 ARG  HD2     3.48            #peak  1029 #SUP  0.90  #QF  0.86
  9 GLN  HB2    27 CYSS H       5.44            #peak  1035 #SUP  0.91  #QF  0.91
  9 GLN  HB2    18 CYSS H       5.50            #peak  1039 #SUP  0.94  #QF  0.94
  6 LYS  HB3     7 TRP  HA      5.33            #peak  1042 #SUP  0.99  #QF  0.99
  6 LYS  HB3     7 TRP  HB2     4.41            #peak  1046 #SUP  0.86  #QF  0.86
  9 GLN  HB2    15 ARG  HD3     3.55            #peak  1048 #SUP  0.95  #QF  0.95
 14 GLU  HB3    15 ARG  H       4.90            #peak  1063 #SUP  1.00
  5 GLN  HB2     5 GLN  HE21    3.46            #peak  1070 #SUP  0.98  #QF  0.98
 28 LYS  H      28 LYS  HB2     3.81            #peak  1075 #SUP  0.90  #QF  0.90
  5 GLN  HA      5 GLN  HB2     2.84            #peak  1081 #SUP  1.00
  5 GLN  HB2    27 CYSS HB3     3.33            #peak  1082 #SUP  0.82  #QF  0.82
  5 GLN  HB2    18 CYSS H       4.06            #peak  1086 #SUP  0.98  #QF  0.98
  5 GLN  H       5 GLN  HB2     3.43            #peak  1087 #SUP  0.99  #QF  0.99
  5 GLN  HB2    27 CYSS HB2     4.14            #peak  1090 #SUP  0.94  #QF  0.94
  5 GLN  H       5 GLN  HB3     3.55            #peak  1126 #SUP  0.99  #QF  0.99
  5 GLN  HB3     5 GLN  HE21    3.71            #peak  1127 #SUP  0.99  #QF  0.99
  4 CYSS HA      5 GLN  HB3     5.50            #peak  1135 #SUP  0.95  #QF  0.56
  5 GLN  HB3    17 CYSS HA      5.50            #peak  1135 #SUP  0.95  #QF  0.56
 29 LYS  HB3    31 LEU  H       3.93            #peak  1143 #SUP  0.70  #QF  0.70
 29 LYS  H      29 LYS  HB3     3.83            #peak  1146 #SUP  1.00
 29 LYS  HA     29 LYS  HB3     3.01            #peak  1147 #SUP  1.00
  5 GLN  H       6 LYS  HB2     5.50            #peak  1152 #SUP  0.96  #QF  0.96
 30 LYS  H      30 LYS  HB2     3.33            #peak  1154 #SUP  0.87  #QF  0.87
  5 GLN  HE21    6 LYS  HB2     4.43            #peak  1157 #SUP  0.96  #QF  0.26
  9 GLN  HE21   15 ARG  HB3     5.17            #peak  1158 #SUP  0.86  #QF  0.86
 15 ARG  HB3    15 ARG  HH11    5.50            #peak  1163 #SUP  1.00
 11 CYSS HA     15 ARG  HB3     3.36            #peak  1164 #SUP  0.97  #QF  0.97
  8 MET  HA      8 MET  HG2     3.55            #peak  1168 #SUP  0.94  #QF  0.94
 15 ARG  HB3    15 ARG  HD2     3.68            #peak  1169 #SUP  0.95  #QF  0.95
 15 ARG  HB3    15 ARG  HD3     4.11            #peak  1170 #SUP  1.00
 15 ARG  HB3    17 CYSS H       4.37            #peak  1176 #SUP  0.89  #QF  0.89
 11 CYSS HB3    15 ARG  HB3     5.25            #peak  1178 #SUP  0.95  #QF  0.95
 24 ARG  H      24 ARG  HB3     3.87            #peak  1184 #SUP  0.95  #QF  0.95
  8 MET  HA      8 MET  HG3     3.55            #peak  1198 #SUP  0.92  #QF  0.92
 29 LYS  H      29 LYS  HB2     3.17            #peak  1201 #SUP  0.97  #QF  0.97
  6 LYS  H       6 LYS  HG2     5.14            #peak  1221 #SUP  1.00
 30 LYS  H      30 LYS  HB3     3.33            #peak  1224 #SUP  0.95  #QF  0.95
  6 LYS  HA      6 LYS  HG2     3.27            #peak  1226 #SUP  0.99  #QF  0.37
 32 LEU  H      32 LEU  HG      3.32            #peak  1228 #SUP  0.73  #QF  0.73
 28 LYS  H      28 LYS  HD2     4.58            #peak  1232 #SUP  1.00
 11 CYSS HA     15 ARG  HB2     5.05            #peak  1234 #SUP  1.00
 28 LYS  HA     28 LYS  HD2     4.59            #peak  1235 #SUP  0.90  #QF  0.90
 24 ARG  H      24 ARG  HB2     3.17            #peak  1239 #SUP  0.87  #QF  0.87
 24 ARG  HB2    25 LEU  H       4.85            #peak  1240 #SUP  1.00
 24 ARG  HB2    26 TRP  H       5.39            #peak  1240 #SUP  1.00
 15 ARG  HA     15 ARG  HG2     3.96            #peak  1242 #SUP  1.00  #QF  0.89
 24 ARG  HB2    24 ARG  HD2     3.41            #peak  1243 #SUP  1.00
 24 ARG  HB2    24 ARG  HD3     3.41            #peak  1244 #SUP  0.83  #QF  0.83
  6 LYS  H       6 LYS  HG3     5.14            #peak  1247 #SUP  1.00  #QF  0.90
  6 LYS  HA      6 LYS  HG3     3.27            #peak  1250 #SUP  0.88  #QF  0.88
 28 LYS  HA     28 LYS  HD3     4.59            #peak  1254 #SUP  1.00
 31 LEU  HA     31 LEU  HG      3.61            #peak  1266 #SUP  0.86  #QF  0.74
 25 LEU  HB3    26 TRP  H       4.82            #peak  1281 #SUP  1.00
 31 LEU  H      31 LEU  HB2     3.36            #peak  1294 #SUP  0.97  #QF  0.97
  8 MET  HB3    26 TRP  HB3     4.28            #peak  1299 #SUP  0.99  #QF  0.99
 21 MET  H      31 LEU  HB2     5.50            #peak  1302 #SUP  0.95  #QF  0.95
 24 ARG  H      24 ARG  HG2     5.50            #peak  1308 #SUP  1.00
  8 MET  HB3    26 TRP  HE1     4.64            #peak  1309 #SUP  0.41  #QF  0.41
  8 MET  HB3    26 TRP  HA      4.93            #peak  1314 #SUP  1.00
 21 MET  HA     31 LEU  HB2     5.50            #peak  1315 #SUP  0.89  #QF  0.35
 21 MET  HB3    29 LYS  HG2     4.43            #peak  1320 #SUP  0.98  #QF  0.98
 21 MET  H      29 LYS  HG2     5.50            #peak  1322 #SUP  0.39  #QF  0.39
 21 MET  H      29 LYS  HG3     5.50            #peak  1334 #SUP  0.93  #QF  0.93
 21 MET  HB3    29 LYS  HG3     4.43            #peak  1339 #SUP  0.98  #QF  0.98
 25 LEU  HA     25 LEU  HG      3.28            #peak  1354 #SUP  0.99  #QF  0.99
  8 MET  HB3    10 THR  H       4.11            #peak  1465 #SUP  0.51  #QF  0.51
  4 CYSS HB2    18 CYSS QB      4.92            #peak   962
  4 CYSS HB3     9 GLN  QG      4.25            #peak  1000
  5 GLN  H      19 GLU  QG      4.13            #peak   922
  5 GLN  HA      9 GLN  QG      4.01            #peak   981
  5 GLN  HB2    19 GLU  QG      3.49            #peak   929
  5 GLN  HB3    19 GLU  QG      2.68            #peak   931
  5 GLN  HE21   18 CYSS QB      4.21            #peak   957
  6 LYS  H       6 LYS  QG      4.52            #peak  1247
  6 LYS  HA      6 LYS  QG      2.77            #peak  1250
  6 LYS  HA      6 LYS  QD      4.80            #peak   662
  6 LYS  HB3     6 LYS  QD      3.00            #peak  1199
  6 LYS  QG      7 TRP  HA      5.28            #peak  1255
  7 TRP  HA      8 MET  QG      4.21            #peak  1165
  8 MET  H       8 MET  QG      3.42            #peak    86
  8 MET  HA      8 MET  QG      2.83            #peak  1198
  9 GLN  H       9 GLN  QG      2.75            #peak  1008
  9 GLN  HA      9 GLN  QG      3.48            #peak   532
  9 GLN  QG     10 THR  H       3.58            #peak   182
  9 GLN  QG     15 ARG  HD2     3.39            #peak   971
  9 GLN  QG     15 ARG  HD3     3.53            #peak   972
  9 GLN  QG     27 CYSS H       3.45            #peak   167
  9 GLN  QG     27 CYSS HB2     3.85            #peak  1004
 10 THR  H      15 ARG  QG      5.34            #peak   184
 11 CYSS H      15 ARG  QG      5.34            #peak  1296
 11 CYSS HA     15 ARG  QG      3.31            #peak  1282
 11 CYSS HB3    17 CYSS QB      5.34            #peak   952
 12 ASP  H      15 ARG  QG      3.60            #peak   137
 12 ASP  HB3    13 SER  QB      4.03            #peak   829
 13 SER  HA     13 SER  QB      2.52            #peak   694
 13 SER  QB     14 GLU  H       4.04            #peak   686
 14 GLU  H      14 GLU  QB      3.11            #peak  1095
 14 GLU  H      15 ARG  QG      5.34            #peak  1274
 14 GLU  HA     14 GLU  QG      3.56            #peak   585
 14 GLU  QB     14 GLU  QG      2.31            #peak  1050
 14 GLU  QB     15 ARG  H       4.22            #peak  1063
 15 ARG  HA     15 ARG  QG      3.30            #peak  1242
 15 ARG  HB3    15 ARG  QG      2.61            #peak  1288
 15 ARG  QG     15 ARG  HH11    3.27            #peak   386
 15 ARG  QG     16 LYS  H       4.17            #peak  1276
 15 ARG  QG     17 CYSS H       5.34            #peak   105
 16 LYS  H      16 LYS  QB      3.32            #peak  1128
 16 LYS  H      16 LYS  QG      3.40            #peak  1264
 16 LYS  HA     16 LYS  QG      3.22            #peak  1266
 16 LYS  HA     17 CYSS QB      4.91            #peak   951
 16 LYS  QB     17 CYSS HA      5.34            #peak  1135
 16 LYS  QG     17 CYSS H       4.88            #peak   104
 17 CYSS H      17 CYSS QB      3.35            #peak   947
 18 CYSS H      18 CYSS QB      3.07            #peak   956
 21 MET  H      21 MET  QG      3.61            #peak  1107
 21 MET  HA     21 MET  QG      3.64            #peak  1109
 21 MET  HA     29 LYS  QG      5.34            #peak  1315
 21 MET  HB2    21 MET  QG      2.60            #peak  1116
 21 MET  HB3    29 LYS  QG      3.63            #peak  1339
 21 MET  QG     27 CYSS HA      5.05            #peak   503
 21 MET  QG     27 CYSS HB2     5.34            #peak   779
 21 MET  QG     27 CYSS HB3     3.53            #peak  1113
 21 MET  QG     28 LYS  H       4.80            #peak  1117
 21 MET  QG     29 LYS  H       5.34            #peak  1106
 21 MET  QG     29 LYS  HA      4.02            #peak   638
 22 VAL  H      30 LYS  QB      4.88            #peak   103
 22 VAL  HA     23 CYSS QB      4.95            #peak   912
 22 VAL  HA     24 ARG  QD      4.86            #peak   769
 22 VAL  HB     24 ARG  QD      5.34            #peak   779
 23 CYSS H      24 ARG  QD      2.96            #peak   113
 23 CYSS HA     24 ARG  QD      4.56            #peak   515
 23 CYSS QB     24 ARG  H       4.36            #peak   907
 23 CYSS QB     24 ARG  HB2     5.34            #peak  1238
 23 CYSS QB     24 ARG  HG3     5.32            #peak   919
 23 CYSS QB     24 ARG  QD      3.89            #peak   777
 23 CYSS QB     24 ARG  HH11    5.29            #peak   920
 24 ARG  H      24 ARG  QD      3.86            #peak   766
 24 ARG  HA     24 ARG  QD      3.39            #peak   554
 24 ARG  HB2    24 ARG  QD      2.90            #peak  1244
 24 ARG  HB3    24 ARG  QD      3.51            #peak  1189
 24 ARG  QD     25 LEU  H       5.34            #peak   780
 25 LEU  QB     25 LEU  HG      2.53            #peak  1060
 25 LEU  QB     26 TRP  H       4.23            #peak   275
 25 LEU  QB     26 TRP  HB2     5.16            #peak   932
 28 LYS  H      28 LYS  QG      4.59            #peak  1269
 28 LYS  H      28 LYS  QD      3.98            #peak  1232
 28 LYS  HA     28 LYS  QD      4.04            #peak  1254
 28 LYS  HA     29 LYS  QG      5.34            #peak  1344
 28 LYS  QB     28 LYS  QD      2.92            #peak  1258
 28 LYS  QB     29 LYS  H       2.97            #peak   147
 28 LYS  QG     29 LYS  H       5.34            #peak   152
 28 LYS  QD     29 LYS  H       4.43            #peak   151
 29 LYS  H      29 LYS  QD      5.34            #peak  1279
 29 LYS  H      30 LYS  QB      5.34            #peak  1221
 29 LYS  HA     29 LYS  QG      3.10            #peak  1338
 29 LYS  HA     29 LYS  QD      4.50            #peak  1293
 29 LYS  HA     30 LYS  QB      4.45            #peak  1217
 29 LYS  QG     30 LYS  H       3.98            #peak   261
 30 LYS  HA     30 LYS  QG      2.96            #peak  1298
 30 LYS  QB     31 LEU  H       4.26            #peak  1156
# Restraints file 2: 5918_noesy-cycle7.xpk
label dataset sw sf
1Ha 1Hb
noesy.nv
{11432.9267578 } {11403.6542969 }
{950.304016113 } {950.304016113 }
1Ha.L  1Ha.P  1Ha.W  1Ha.B  1Hb.L  1Hb.P  1Hb.W  1Hb.B  vol  int stat flag0
     0 {?}   9.232  0.017  0.004 {?}  10.562  0.099  0.142      31.416      1.585  0  0
     1 {?}   7.502  0.020  0.008 {?}  10.556  0.120  0.167      56.611      1.701  0  0
     2 {?}   7.360  0.018  0.011 {?}  10.559  0.045  0.064      21.926      1.865  0  0
     3 {?}   8.324  0.018  0.011 {?}  10.533  0.135  0.193      63.231      1.980  0  0
     4 {?}   8.220  0.018  0.002 {?}  10.519  0.117  0.168      33.448      1.507  0  0
     5 {?}   8.071  0.016  0.004 {?}  10.514  0.081  0.116      13.846      1.619  0  0
     6 {26.HE1}  10.142  0.015  0.038 {26.HE1}  10.159  0.025  0.034    2432.397    494.603  0  0
     7 {?}   6.911  0.010  0.022 {?}  10.160  0.026  0.034      39.497     11.678  0  0
     8 {10.HA}   4.401  0.015  0.007 {26.HE1}  10.158  0.021  0.031       8.920      1.820  0  0
     9 {?}   3.766  0.023  0.017 {?}  10.160  0.047  0.023      16.386      2.045  0  0
    10 {?}   4.312  0.051  0.005 {?}  10.000  0.081  0.116      23.940      1.488  0  0
    11 {?}   4.314  0.051  0.008 {?}   9.888  0.098  0.141      31.740      1.590  0  0
    12 {?}   4.313  0.049  0.017 {?}   9.760  0.099  0.142      69.122      1.769  0  0
    13 {?}   4.011  0.017  0.001 {?}   9.754  0.081  0.116      11.762      1.447  0  0
    14 {?}   4.400  0.018  0.001 {?}   9.730  0.081  0.116      12.694      1.475  0  0
    15 {?}   4.401  0.018  0.002 {?}   9.662  0.063  0.090       9.986      1.498  0  0
    16 {?}   4.012  0.017  0.001 {?}   9.669  0.090  0.129      15.320      1.477  0  0
    17 {?}   4.312  0.049  0.035 {?}   9.634  0.045  0.064      59.364      2.136  0  0
    18 {?}   4.011  0.017  0.004 {?}   9.590  0.045  0.064      13.676      1.605  0  0
    19 {?}   4.400  0.018  0.010 {?}   9.568  0.063  0.090      31.601      1.854  0  0
    20 {?}   3.767  0.023  0.000 {?}   9.480  0.063  0.090       9.690      1.434  0  0
    21 {18.H}   9.397  0.021  0.030 {18.H}   9.412  0.018  0.034     149.526     36.660  0  0
    22 {27.HB3}   3.117  0.010  0.017 {18.H}   9.410  0.047  0.092      22.435      2.474  0  0
    23 {18.H}   9.374  0.015  0.035 {18.H}   9.388  0.019  0.034     606.002    182.538  0  0
    24 {?}   5.040  0.022  0.019 {?}   9.383  0.081  0.116      66.827      2.364  0  0
    25 {17.HA}   4.856  0.023  0.034 {18.H}   9.389  0.018  0.028      36.622      7.490  0  0
    26 {18.HA}   4.502  0.022  0.020 {18.H}   9.389  0.018  0.015      11.204      2.461  0  0
    27 {?}   4.320  0.031  0.036 {?}   9.387  0.063  0.090     114.618      3.595  0  0
    28 {?}   4.114  0.027  0.026 {?}   9.389  0.029  0.028      26.394      2.667  0  0
    29 {?}   4.010  0.016  0.010 {?}   9.389  0.045  0.064      24.521      2.101  0  0
    30 {?}   3.361  0.014  0.019 {?}   9.389  0.019  0.028      23.803      6.682  0  0
    31 {27.HB2}   3.220  0.024  0.019 {18.H}   9.387  0.063  0.090      45.032      2.260  0  0
    32 {4.HB2}   3.102  0.021  0.029 {18.H}   9.388  0.047  0.041      34.166      2.446  0  0
    33 {4.HB2 27.HB3}   3.076  0.010  0.029 {18.H 18.H}   9.388  0.026  0.028      13.019      3.410  0  0
    34 {4.HB2}   3.062  0.007  0.018 {18.H}   9.388  0.027  0.030       7.612      3.391  0  0
    35 {15.HD3}   2.941  0.019  0.025 {18.H}   9.389  0.020  0.028      36.109      5.263  0  0
    36 {4.HB3}   2.893  0.004  0.008 {18.H}   9.389  0.020  0.016       4.249      2.442  0  0
    37 {4.HB3}   2.874  0.005  0.010 {18.H}   9.388  0.021  0.020       5.628      2.772  0  0
    38 {17.HB2 18.HB2}   2.420  0.023  0.032 {18.H 18.H}   9.389  0.018  0.023      18.326      3.984  0  0
    39 {?}   2.120  0.026  0.030 {?}   9.389  0.030  0.034      32.163      3.465  0  0
    40 {?}   2.058  0.010  0.025 {?}   9.389  0.021  0.035      74.082     21.869  0  0
    41 {5.HB2}   1.961  0.053  0.069 {18.H}   9.390  0.031  0.040      99.898      4.801  0  0
    42 {5.HB3}   1.832  0.056  0.056 {18.H}   9.387  0.063  0.090     125.777      2.783  0  0
    43 {?}   2.041  0.008  0.002 {?}   9.304  0.045  0.064       7.563      1.619  0  0
    44 {?}   4.011  0.018  0.014 {?}   9.291  0.098  0.141      60.592      2.348  0  0
    45 {?}   1.911  0.037  0.053 {?}   9.286  0.117  0.168     102.414      1.515  0  0
    46 {28.H}   9.232  0.021  0.053 {28.H}   9.248  0.023  0.037    1030.053    157.750  0  0
    47 {?}   5.040  0.023  0.031 {?}   9.247  0.050  0.090      65.687      4.537  0  0
    48 {28.HA}   4.896  0.024  0.032 {28.H}   9.248  0.024  0.033      42.001      5.725  0  0
    49 {27.HA}   4.802  0.019  0.028 {28.H}   9.248  0.020  0.029      42.697      6.487  0  0
    50 {?}   4.399  0.018  0.022 {?}   9.246  0.063  0.090      63.091      3.962  0  0
    51 {29.HA}   4.232  0.018  0.006 {28.H}   9.247  0.021  0.030       8.877      1.705  0  0
    52 {27.HB2}   3.220  0.027  0.043 {28.H}   9.247  0.031  0.042      66.435      6.349  0  0
    53 {27.HB3}   3.117  0.007  0.029 {28.H}   9.247  0.029  0.040      16.850      7.255  0  0
    54 {27.HB3}   3.102  0.014  0.019 {28.H}   9.247  0.028  0.039      42.460      7.201  0  0
    55 {21.HB3}   2.120  0.025  0.034 {28.H}   9.247  0.031  0.039      41.453      4.642  0  0
    56 {?}   2.061  0.008  0.009 {?}   9.246  0.031  0.017       4.361      1.862  0  0
    57 {28.HB2}   1.962  0.041  0.067 {28.H}   9.247  0.033  0.048     131.158      8.403  0  0
    58 {?}   1.862  0.040  0.062 {?}   9.247  0.030  0.039      86.926      6.032  0  0
    59 {28.HB3}   1.653  0.040  0.091 {28.H}   9.248  0.026  0.038     163.076     11.475  0  0
    60 {?}   1.504  0.075  0.093 {?}   9.247  0.019  0.090     148.216      6.143  0  0
    61 {28.HD3}   1.389  0.032  0.041 {28.H}   9.247  0.029  0.035      54.082      4.254  0  0
    62 {4.HA}   4.920  0.016  0.018 {5.H}   9.192  0.014  0.016       8.205      3.273  0  0
    63 {27.HB3}   3.134  0.021  0.029 {5.H}   9.191  0.019  0.007      10.754      1.753  0  0
    64 {27.HB3}   3.118  0.014  0.021 {5.H}   9.184  0.011  0.016       5.515      2.064  0  0
    65 {5.HB2}   1.961  0.023  0.032 {5.H}   9.172  0.037  0.045     108.450      7.755  0  0
    66 {5.H}   9.154  0.019  0.045 {5.H}   9.168  0.014  0.027     287.774     88.011  0  0
    67 {4.HA}   4.887  0.018  0.033 {5.H}   9.168  0.014  0.024      39.518     13.018  0  0
    68 {17.HA}   4.855  0.022  0.014 {5.H}   9.169  0.011  0.005       6.528      1.914  0  0
    69 {6.HA}   4.118  0.023  0.010 {5.H}   9.167  0.045  0.064      20.983      1.658  0  0
    70 {4.HB2}   3.077  0.023  0.032 {5.H}   9.168  0.014  0.023      26.223      6.910  0  0
    71 {4.HB2}   3.062  0.007  0.024 {5.H}   9.168  0.016  0.025       6.361      6.361  0  0
    72 {4.HB3 7.HB3}   2.874  0.005  0.017 {5.H 5.H}   9.168  0.014  0.019       5.021      5.021  0  0
    73 {6.HB2}   2.055  0.019  0.019 {5.H}   9.166  0.033  0.032      19.324      2.779  0  0
    74 {5.HB2}   1.944  0.041  0.081 {5.H}   9.169  0.014  0.022      57.647      8.409  0  0
    75 {5.HB3}   1.821  0.031  0.054 {5.H}   9.169  0.015  0.027      62.047     12.000  0  0
    76 {8.H}   9.108  0.017  0.045 {8.H}   9.122  0.012  0.025     218.505     85.484  0  0
    77 {26.HA}   5.140  0.020  0.003 {8.H}   9.122  0.026  0.003       2.988      1.510  0  0
    78 {7.HA}   4.725  0.011  0.001 {8.H}   9.120  0.023  0.001       2.933      1.470  0  0
    79 {5.HA}   4.314  0.030  0.070 {5.H}   9.121  0.015  0.029     176.735     35.197  0  0
    80 {6.HA}   4.118  0.022  0.011 {8.H}   9.117  0.045  0.064      21.097      1.716  0  0
    81 {8.HA}   3.767  0.024  0.048 {8.H}   9.122  0.013  0.025     142.330     35.800  0  0
    82 {27.HB2}   3.220  0.029  0.050 {5.H}   9.122  0.015  0.027      52.293     10.610  0  0
    83 {7.HB2}   3.156  0.016  0.019 {8.H}   9.122  0.014  0.017       9.254      3.618  0  0
    84 {4.HB2}   3.102  0.017  0.027 {5.H}   9.121  0.014  0.023      21.308      8.463  0  0
    85 {6.HB2}   2.060  0.016  0.018 {8.H}   9.119  0.024  0.025      16.213      3.075  0  0
    86 {8.HG2}   1.675  0.035  0.048 {8.H}   9.121  0.032  0.050      65.355      4.854  0  0
    87 {8.HG3}   1.590  0.045  0.063 {8.H}   9.122  0.018  0.024      46.857      4.285  0  0
    88 {8.HB2}   1.248  0.012  0.032 {8.H}   9.122  0.020  0.023      13.919      3.374  0  0
    89 {?}   3.629  0.018  0.003 {?}   9.085  0.063  0.090      10.198      1.587  0  0
    90 {17.H 22.H}   9.042  0.020  0.055 {17.H 22.H}   9.057  0.031  0.044    1091.780    151.089  0  0
    91 {21.HA}   5.038  0.026  0.054 {22.H}   9.059  0.026  0.039     281.499     33.436  0  0
    92 {22.HA}   4.398  0.015  0.030 {22.H}   9.060  0.028  0.042      98.328     17.384  0  0
    93 {16.HA}   4.294  0.024  0.041 {17.H}   9.053  0.038  0.051     391.946     35.080  0  0
    94 {29.HA}   4.232  0.020  0.030 {22.H}   9.059  0.030  0.038      38.822      5.239  0  0
    95 {30.HA}   4.119  0.020  0.016 {22.H}   9.059  0.022  0.040      17.382      2.297  0  0
    96 {?}   3.227  0.025  0.025 {?}   9.054  0.022  0.023      24.353      3.038  0  0
    97 {15.HD2}   3.120  0.014  0.011 {17.H}   9.056  0.019  0.015       7.250      2.345  0  0
    98 {15.HD3}   2.942  0.023  0.034 {17.H}   9.055  0.036  0.043      67.731      6.642  0  0
    99 {9.HG2 21.HB2}   2.336  0.024  0.016 {17.H 22.H}   9.059  0.028  0.020      15.550      2.135  0  0
   100 {21.HB3}   2.120  0.024  0.058 {22.H}   9.059  0.027  0.038     129.745     15.889  0  0
   101 {?}   2.059  0.011  0.014 {?}   9.058  0.030  0.035      21.093      3.799  0  0
   102 {22.HB}   1.860  0.053  0.109 {22.H}   9.060  0.026  0.038     344.774     20.351  0  0
   103 {15.HB2 16.HB3 30.HB2}   1.663  0.044  0.077 {17.H 17.H 22.H}   9.056  0.037  0.046     117.245      5.856  0  0
   104 {16.HG3}   1.385  0.043  0.038 {17.H}   9.057  0.042  0.039      43.786      2.405  0  0
   105 {15.HG3 30.HG2}   1.266  0.040  0.028 {17.H 22.H}   9.060  0.022  0.026      25.808      1.870  0  0
   106 {?}   3.316  0.005  0.006 {?}   9.052  0.018  0.011       4.053      2.069  0  0
   107 {17.HB2}   2.455  0.027  0.040 {17.H}   9.052  0.013  0.019      23.354      5.242  0  0
   108 {?}   8.998  0.022  0.025 {?}   9.014  0.024  0.027      24.051      3.443  0  0
   109 {?}   2.039  0.027  0.012 {?}   8.954  0.081  0.116      39.754      1.675  0  0
   110 {23.H}   8.858  0.018  0.026 {23.H}   8.871  0.027  0.034      36.244      6.150  0  0
   111 {22.HA}   4.400  0.021  0.043 {23.H}   8.871  0.027  0.040     320.798     49.313  0  0
   112 {11.HB2}   3.315  0.011  0.014 {23.H}   8.870  0.040  0.006       4.147      1.534  0  0
   113 {24.HD2}   3.223  0.028  0.046 {23.H}   8.871  0.027  0.040     252.220     25.853  0  0
   114 {23.HB2}   2.748  0.026  0.027 {23.H}   8.871  0.027  0.028      27.029      2.964  0  0
   115 {22.HB}   1.841  0.022  0.040 {23.H}   8.871  0.025  0.037      90.900     13.274  0  0
   116 {24.HB3}   1.479  0.015  0.023 {23.H}   8.872  0.023  0.030      14.586      1.905  0  0
   117 {?}   4.009  0.017  0.044 {?}   8.820  0.031  0.043     401.798     62.647  0  0
   118 {20.HA3}   3.650  0.021  0.030 {20.H}   8.820  0.030  0.047     133.745     17.589  0  0
   119 {20.HA3}   3.630  0.018  0.032 {20.H}   8.819  0.032  0.043     127.959     20.092  0  0
   120 {?}   2.254  0.030  0.027 {?}   8.820  0.035  0.030      29.778      2.574  0  0
   121 {?}   2.056  0.023  0.020 {?}   8.821  0.056  0.046      36.223      2.334  0  0
   122 {?}   1.969  0.029  0.035 {?}   8.819  0.035  0.045      47.129      4.043  0  0
   123 {?}   1.911  0.028  0.036 {?}   8.819  0.039  0.047      59.185      4.503  0  0
   124 {20.HA2}   4.259  0.021  0.030 {20.H}   8.818  0.012  0.021      36.042     10.159  0  0
   125 {20.HA2}   4.239  0.023  0.032 {20.H}   8.818  0.013  0.022      37.963     10.052  0  0
   126 {?}   2.062  0.025  0.010 {?}   8.749  0.029  0.014       8.134      1.637  0  0
   127 {?}   2.040  0.015  0.019 {?}   8.754  0.081  0.116      40.662      2.024  0  0
   128 {12.H}   8.634  0.017  0.050 {12.H}   8.647  0.026  0.037     573.822     96.203  0  0
   129 {?}   5.139  0.022  0.021 {?}   8.643  0.063  0.090      55.741      2.668  0  0
   130 {11.HA}   5.044  0.020  0.042 {12.H}   8.646  0.027  0.044     224.920     33.640  0  0
   131 {12.HA}   4.311  0.017  0.049 {12.H}   8.646  0.028  0.044     125.838     20.668  0  0
   132 {11.HB2}   3.315  0.014  0.019 {12.H}   8.646  0.027  0.043     106.865     17.470  0  0
   133 {?}   3.121  0.030  0.075 {?}   8.646  0.029  0.043     105.822     12.014  0  0
   134 {12.HB2}   3.066  0.021  0.047 {12.H}   8.646  0.036  0.046      70.880      8.174  0  0
   135 {15.HB2}   1.672  0.036  0.064 {12.H}   8.646  0.034  0.045     136.109      9.526  0  0
   136 {15.HB3 15.HG2}   1.480  0.015  0.028 {12.H 12.H}   8.646  0.023  0.044      17.548      2.336  0  0
   137 {15.HG3}   1.291  0.037  0.049 {12.H}   8.647  0.036  0.043      75.610      4.921  0  0
   138 {?}   1.964  0.029  0.007 {?}   8.636  0.071  0.038      14.848      1.619  0  0
   139 {?}   1.117  0.030  0.012 {?}   8.614  0.045  0.064      21.057      1.656  0  0
   140 {?}   8.575  0.022  0.021 {?}   8.588  0.030  0.028      22.487      2.707  0  0
   141 {7.H}   8.507  0.020  0.040 {7.H}   8.520  0.028  0.040     100.398     15.779  0  0
   142 {7.HB2}   3.159  0.026  0.019 {7.H}   8.519  0.043  0.061      26.638      1.966  0  0
   143 {?}   1.913  0.016  0.020 {?}   8.522  0.169  0.068      29.813      1.683  0  0
   144 {28.HA}   4.904  0.025  0.044 {29.H}   8.471  0.026  0.043     161.273     19.215  0  0
   145 {29.HA}   4.230  0.022  0.038 {29.H}   8.471  0.029  0.044     132.357     15.757  0  0
   146 {21.HB3}   2.119  0.011  0.022 {29.H}   8.469  0.029  0.025      17.187      2.658  0  0
   147 {28.HB2}   1.962  0.037  0.073 {29.H}   8.470  0.033  0.052     216.252     15.839  0  0
   148 {29.HB2}   1.734  0.030  0.052 {29.H}   8.471  0.028  0.042     104.888     10.299  0  0
   149 {28.HB3}   1.646  0.050  0.071 {29.H}   8.470  0.029  0.042     116.119      6.352  0  0
   150 {29.HB3}   1.580  0.037  0.094 {29.H}   8.470  0.031  0.044     297.729     21.604  0  0
   151 {28.HD3}   1.394  0.032  0.041 {29.H}   8.468  0.045  0.064      79.050      4.405  0  0
   152 {28.HG2 29.HD3}   1.291  0.024  0.003 {29.H 29.H}   8.472  0.111  0.006       1.499      1.499  0  0
   153 {?}   1.118  0.027  0.049 {?}   8.471  0.027  0.042     129.225     13.050  0  0
   154 {8.H 8.H}   9.109  0.011  0.003 {6.H 27.H}   8.459  0.015  0.005       3.110      1.697  0  0
   155 {27.H 29.H}   8.451  0.023  0.099 {27.H 29.H}   8.465  0.015  0.032    1371.087    372.164  0  0
   156 {26.HA}   5.140  0.022  0.043 {27.H}   8.459  0.026  0.037     247.943     35.936  0  0
   157 {10.HA}   4.402  0.011  0.019 {27.H}   8.458  0.027  0.040      21.889      6.069  0  0
   158 {8.HA}   3.768  0.021  0.027 {27.H}   8.459  0.025  0.035      31.193      4.362  0  0
   159 {27.HB2}   3.220  0.032  0.055 {27.H}   8.459  0.026  0.042     169.814     17.618  0  0
   160 {27.HB3}   3.103  0.016  0.036 {27.H}   8.459  0.032  0.047      79.490     13.171  0  0
   161 {26.HB2}   2.839  0.017  0.021 {27.H}   8.459  0.025  0.037      28.942      4.961  0  0
   162 {?}   4.195  0.018  0.012 {?}   8.448  0.110  0.049      22.264      2.022  0  0
   163 {6.H 27.H 29.H}   8.421  0.018  0.033 {6.H 27.H 29.H}   8.434  0.028  0.039    1124.505    158.712  0  0
   164 {?}   4.327  0.026  0.048 {?}   8.433  0.036  0.048     438.563     36.321  0  0
   165 {6.HA}   4.114  0.029  0.045 {6.H}   8.432  0.044  0.067     215.702     12.531  0  0
   166 {9.HG2 21.HB2}   2.333  0.035  0.041 {27.H 29.H}   8.433  0.026  0.038      53.547      3.553  0  0
   167 {9.HG3}   2.203  0.034  0.052 {27.H}   8.433  0.043  0.055     111.354      6.415  0  0
   168 {21.HB3}   2.085  0.014  0.040 {29.H}   8.433  0.048  0.069      59.462      5.560  0  0
   169 {6.HB2}   2.040  0.031  0.050 {6.H}   8.432  0.043  0.059     167.661      8.697  0  0
   170 {?}   1.526  0.043  0.070 {?}   8.433  0.040  0.053     258.933     11.753  0  0
   171 {5.HB2 28.HB2}   1.980  0.030  0.043 {6.H 29.H}   8.430  0.005  0.015      18.892      4.001  0  0
   172 {5.HB3}   1.818  0.017  0.005 {6.H}   8.431  0.015  0.004       3.250      1.641  0  0
   173 {6.HB3 28.HB3}   1.682  0.022  0.018 {6.H 29.H}   8.430  0.012  0.020       8.495      2.366  0  0
   174 {6.HG3 28.HD3}   1.398  0.032  0.039 {6.H 29.H}   8.431  0.005  0.014      19.843      3.949  0  0
   175 {6.H}   8.387  0.024  0.030 {6.H}   8.401  0.035  0.048     131.197     12.838  0  0
   176 {?}   3.618  0.025  0.001 {?}   8.399  0.066  0.004       1.450      1.450  0  0
   177 {10.H}   8.324  0.017  0.045 {10.H}   8.335  0.015  0.032    1081.828    449.192  0  0
   178 {9.HA}   4.532  0.022  0.039 {10.H}   8.336  0.014  0.026      58.924     14.860  0  0
   179 {10.HA}   4.402  0.015  0.049 {10.H}   8.336  0.015  0.026      30.117     11.796  0  0
   180 {10.HB}   4.195  0.019  0.037 {10.H}   8.336  0.014  0.027      66.457     19.657  0  0
   181 {9.HG2}   2.335  0.030  0.045 {10.H}   8.333  0.027  0.039      66.200      6.030  0  0
   182 {9.HG3}   2.202  0.033  0.058 {10.H}   8.334  0.027  0.039     106.033      9.952  0  0
   183 {9.HB2}   2.084  0.033  0.066 {10.H}   8.335  0.019  0.044     152.998     18.225  0  0
   184 {15.HG3}   1.284  0.032  0.004 {10.H}   8.325  0.045  0.064      11.440      1.470  0  0
   185 {9.HA}   4.504  0.024  0.035 {9.H}   8.305  0.028  0.042     139.173     14.375  0  0
   186 {?}   3.371  0.027  0.048 {?}   8.305  0.028  0.044     289.898     27.116  0  0
   187 {18.HB2}   2.422  0.022  0.030 {5.HE21}   8.306  0.023  0.028      22.088      3.387  0  0
   188 {?}   2.258  0.022  0.023 {?}   8.307  0.025  0.027      22.111      3.088  0  0
   189 {5.HB2}   1.970  0.028  0.059 {5.HE21}   8.306  0.032  0.047     225.516     20.216  0  0
   190 {?}   1.911  0.027  0.050 {?}   8.305  0.032  0.049     184.232     17.125  0  0
   191 {8.H}   9.109  0.014  0.021 {9.H}   8.298  0.019  0.029      22.949      6.768  0  0
   192 {3.H 5.HE21 9.H 10.H 13.H 31.H}   8.286  0.020  0.049 {3.H 5.HE21 9.H 10.H 13.H 31.H}   8.299  0.021  0.039    6022.980    875.272  0  0
   193 {10.HA}   4.375  0.017  0.029 {10.H}   8.295  0.026  0.042     116.694     18.566  0  0
   194 {13.HA}   4.010  0.015  0.036 {13.H}   8.301  0.025  0.045     223.583     37.613  0  0
   195 {8.HA 8.HA}   3.767  0.022  0.030 {9.H 10.H}   8.299  0.016  0.026      24.722      6.484  0  0
   196 {27.HB2 27.HB2}   3.219  0.032  0.043 {9.H 10.H}   8.298  0.020  0.029      42.445      5.870  0  0
   197 {3.HB3 19.HG2}   2.938  0.027  0.033 {3.H 5.HE21}   8.296  0.028  0.035      45.928      4.811  0  0
   198 {9.HG2 9.HG2}   2.331  0.033  0.048 {9.H 10.H}   8.298  0.010  0.032      39.380      7.581  0  0
   199 {9.HG3 9.HG3}   2.203  0.034  0.065 {9.H 10.H}   8.297  0.011  0.037      59.757     11.614  0  0
   200 {12.HA 31.HA}   4.312  0.019  0.064 {13.H 31.H}   8.285  0.029  0.042     247.561     39.875  0  0
   201 {13.HB2}   3.883  0.022  0.034 {13.H}   8.286  0.024  0.037      82.646     12.774  0  0
   202 {13.HB3}   3.831  0.024  0.035 {13.H}   8.286  0.024  0.037      95.700     14.228  0  0
   203 {3.HB2 12.HB2}   3.066  0.022  0.045 {3.H 13.H}   8.286  0.023  0.039     421.111     67.447  0  0
   204 {9.HB2 9.HB2}   2.085  0.023  0.032 {9.H 10.H}   8.290  0.014  0.020      21.162      4.968  0  0
   205 {3.H 5.HE21 9.H 13.H 31.H}   8.264  0.018  0.034 {3.H 5.HE21 9.H 13.H 31.H}   8.275  0.019  0.037    4154.198   1009.812  0  0
   206 {21.HA}   5.043  0.015  0.006 {31.H}   8.276  0.012  0.005       3.507      1.768  0  0
   207 {30.HA}   4.119  0.024  0.059 {31.H}   8.274  0.023  0.039     648.309     98.675  0  0
   208 {?}   3.157  0.016  0.038 {?}   8.277  0.017  0.032      95.479     36.958  0  0
   209 {12.HB2}   3.099  0.039  0.058 {13.H}   8.279  0.014  0.027     180.011     30.763  0  0
   210 {9.HB2}   2.056  0.020  0.038 {9.H}   8.277  0.016  0.031     120.463     33.376  0  0
   211 {5.HB3}   1.820  0.029  0.042 {5.HE21}   8.277  0.013  0.020      29.724      6.267  0  0
   212 {6.HB3 30.HB2}   1.689  0.036  0.064 {5.HE21 31.H}   8.274  0.029  0.041     101.319      7.431  0  0
   213 {31.HB2}   1.546  0.058  0.114 {31.H}   8.273  0.027  0.041     554.403     31.041  0  0
   214 {?}   1.396  0.025  0.022 {?}   8.275  0.018  0.015      11.151      2.419  0  0
   215 {31.HB3}   1.267  0.041  0.049 {31.H}   8.271  0.026  0.038      63.935      4.473  0  0
   216 {29.HA}   4.230  0.023  0.021 {31.H}   8.266  0.027  0.054      26.497      2.620  0  0
   217 {3.HA}   4.656  0.022  0.001 {3.H}   8.245  0.016  0.001       1.471      1.471  0  0
   218 {?}   3.619  0.026  0.027 {?}   8.245  0.022  0.050      25.904      3.010  0  0
   219 {31.HG}   1.362  0.031  0.016 {31.H}   8.245  0.013  0.007       4.706      1.639  0  0
   220 {?}   0.699  0.036  0.003 {?}   8.248  0.020  0.001       1.479      1.479  0  0
   221 {14.H}   8.219  0.022  0.060 {14.H}   8.230  0.016  0.034    1131.413    314.721  0  0
   222 {15.H}   8.157  0.024  0.070 {14.H}   8.229  0.044  0.064    1073.488     87.509  0  0
   223 {15.HA}   4.421  0.031  0.035 {14.H}   8.228  0.045  0.064      79.456      3.545  0  0
   224 {12.HA 14.HA}   4.346  0.023  0.032 {14.H 14.H}   8.231  0.016  0.026      31.234      8.529  0  0
   225 {13.HB2}   3.881  0.027  0.019 {14.H}   8.229  0.008  0.004       6.442      1.872  0  0
   226 {14.HG2}   2.183  0.015  0.013 {14.H}   8.230  0.011  0.009       6.104      2.455  0  0
   227 {14.HG3}   2.138  0.026  0.032 {14.H}   8.231  0.017  0.022      20.069      4.337  0  0
   228 {14.HB3}   2.033  0.026  0.032 {14.H}   8.228  0.011  0.016      24.460      5.789  0  0
   229 {14.HB2}   1.908  0.034  0.057 {14.H}   8.230  0.015  0.028      80.366     15.375  0  0
   230 {15.HB2 30.HB2}   1.665  0.023  0.028 {14.H 31.H}   8.228  0.045  0.064      48.998      3.611  0  0
   231 {15.HB3}   1.479  0.037  0.046 {14.H}   8.230  0.045  0.064      89.089      3.695  0  0
   232 {12.H}   8.634  0.016  0.015 {15.H}   8.168  0.015  0.014       6.262      2.668  0  0
   233 {15.H}   8.157  0.020  0.065 {15.H}   8.169  0.025  0.041    1770.132    262.616  0  0
   234 {11.HA}   5.042  0.018  0.014 {15.H}   8.167  0.030  0.024      15.513      2.288  0  0
   235 {15.HA}   4.417  0.031  0.045 {15.H}   8.168  0.032  0.046     106.723      8.768  0  0
   236 {12.HA 14.HA}   4.348  0.014  0.012 {15.H 15.H}   8.168  0.015  0.011       5.429      2.224  0  0
   237 {14.HB3}   2.036  0.016  0.006 {15.H}   8.167  0.008  0.002       3.108      1.584  0  0
   238 {14.HB2}   1.907  0.030  0.029 {15.H}   8.168  0.010  0.010      12.871      2.735  0  0
   239 {15.HB2}   1.672  0.036  0.072 {15.H}   8.169  0.026  0.038     166.184     12.607  0  0
   240 {15.HB3}   1.519  0.015  0.047 {15.H}   8.169  0.027  0.038      46.104      7.338  0  0
   241 {15.HB3}   1.480  0.016  0.052 {15.H}   8.167  0.045  0.064      83.925      8.331  0  0
   242 {?}   1.291  0.038  0.057 {?}   8.169  0.029  0.040      83.541      6.344  0  0
   243 {24.H}   8.117  0.021  0.048 {24.H}   8.128  0.027  0.038    1876.772    254.201  0  0
   244 {24.HD2}   3.228  0.015  0.016 {24.H}   8.127  0.017  0.019      11.093      3.163  0  0
   245 {24.HG2}   1.366  0.033  0.037 {24.H}   8.127  0.042  0.044      46.435      3.239  0  0
   246 {26.HA}   5.142  0.017  0.001 {24.H}   8.126  0.020  0.001       2.917      1.474  0  0
   247 {15.HA 24.HA}   4.433  0.019  0.033 {15.H 24.H}   8.125  0.020  0.040      70.261     10.303  0  0
   248 {?}   3.621  0.026  0.037 {?}   8.123  0.045  0.064     103.867      6.132  0  0
   249 {24.HB2}   1.615  0.032  0.042 {24.H}   8.127  0.016  0.023      27.917      5.540  0  0
   250 {15.HB3 24.HB3}   1.477  0.027  0.050 {15.H 24.H}   8.126  0.013  0.022      47.015      9.374  0  0
   251 {30.H}   8.072  0.017  0.052 {30.H}   8.083  0.024  0.035    2615.594    429.091  0  0
   252 {21.HA}   5.037  0.023  0.043 {30.H}   8.083  0.025  0.042      80.432     11.144  0  0
   253 {29.HA}   4.231  0.023  0.050 {30.H}   8.083  0.024  0.035     418.253     57.246  0  0
   254 {30.HA}   4.123  0.021  0.036 {30.H}   8.082  0.017  0.035      55.908     12.330  0  0
   255 {21.HB3}   2.119  0.021  0.028 {30.H}   8.083  0.025  0.036      33.679      4.988  0  0
   256 {29.HB2}   1.731  0.032  0.045 {30.H}   8.083  0.026  0.042      90.289      7.925  0  0
   257 {29.HB2 30.HB2}   1.696  0.017  0.052 {30.H 30.H}   8.083  0.026  0.042      59.825      9.261  0  0
   258 {29.HB3 31.HB2}   1.578  0.014  0.033 {30.H 30.H}   8.083  0.020  0.022      12.898      3.228  0  0
   259 {30.HB3}   1.525  0.036  0.061 {30.H}   8.082  0.024  0.039     119.747     10.751  0  0
   260 {31.HB3}   1.262  0.032  0.055 {30.H}   8.083  0.028  0.043      86.347      8.177  0  0
   261 {29.HG3}   1.117  0.028  0.034 {30.H}   8.083  0.029  0.038      40.415      3.936  0  0
   262 {25.H 26.H}   7.996  0.020  0.122 {25.H 26.H}   8.006  0.018  0.037    1372.854    314.495  0  0
   263 {24.HA}   4.433  0.022  0.049 {25.H}   8.007  0.018  0.035     163.861     34.481  0  0
   264 {25.HA}   3.622  0.026  0.055 {25.H}   8.007  0.018  0.037     494.288     64.915  0  0
   265 {24.HB2}   1.614  0.028  0.032 {25.H}   8.006  0.023  0.028      34.760      3.728  0  0
   266 {24.HB3 24.HB3}   1.477  0.024  0.032 {25.H 26.H}   8.005  0.024  0.033      30.552      4.271  0  0
   267 {24.HG2}   1.364  0.032  0.017 {25.H}   8.006  0.030  0.011      11.386      1.751  0  0
   268 {25.HB3 25.HB3}   1.292  0.028  0.038 {25.H 26.H}   8.006  0.020  0.032      44.697      5.772  0  0
   269 {25.HG}   0.957  0.031  0.041 {25.H}   8.002  0.051  0.078      92.365      5.166  0  0
   270 {?}   0.698  0.013  0.012 {?}   8.007  0.021  0.018       7.481      2.502  0  0
   271 {19.H 25.H 26.H}   7.970  0.021  0.036 {19.H 25.H 26.H}   7.982  0.024  0.040    2268.203    345.577  0  0
   272 {26.HA}   5.141  0.018  0.034 {26.H}   7.982  0.023  0.037      98.457     15.704  0  0
   273 {23.HA 23.HA}   4.664  0.018  0.000 {25.H 26.H}   7.979  0.039  0.001       1.442      1.442  0  0
   274 {26.HB2}   2.840  0.017  0.014 {26.H}   7.981  0.024  0.018      14.604      2.282  0  0
   275 {25.HB2 25.HB2}   2.041  0.024  0.044 {25.H 26.H}   7.983  0.019  0.030      58.468      8.797  0  0
   276 {19.HA}   4.919  0.010  0.004 {19.H}   7.955  0.020  0.008       4.786      1.804  0  0
   277 {11.HB3 27.HB3}   3.140  0.013  0.001 {26.H 19.H}   7.955  0.019  0.001       2.895      1.475  0  0
   278 {?}   7.890  0.015  0.037 {?}   7.901  0.032  0.036      25.095      3.514  0  0
   279 {?}   7.863  0.011  0.037 {?}   7.875  0.034  0.044      38.491      5.237  0  0
   280 {15.HA}   4.416  0.025  0.050 {16.H}   7.819  0.017  0.034     156.312     39.773  0  0
   281 {16.HA}   4.295  0.025  0.042 {16.H}   7.819  0.018  0.034      75.575     15.252  0  0
   282 {16.HB2}   1.832  0.034  0.058 {16.H}   7.820  0.016  0.029      66.435     11.560  0  0
   283 {15.HB2 16.HB3}   1.669  0.037  0.069 {16.H 16.H}   7.819  0.017  0.032     119.066     19.107  0  0
   284 {15.HB3 15.HG2}   1.505  0.015  0.018 {16.H 16.H}   7.820  0.030  0.009       8.914      1.703  0  0
   285 {15.HB3 15.HG2}   1.486  0.015  0.003 {16.H 16.H}   7.820  0.011  0.000       1.458      1.458  0  0
   286 {16.HG3}   1.357  0.040  0.065 {16.H}   7.819  0.017  0.030      73.924     10.726  0  0
   287 {15.HG3}   1.292  0.032  0.030 {16.H}   7.820  0.014  0.013      11.822      2.632  0  0
   288 {4.H 16.H}   7.793  0.020  0.048 {4.H 16.H}   7.804  0.028  0.040    2837.224    441.198  0  0
   289 {4.HA}   4.888  0.013  0.020 {4.H}   7.803  0.028  0.039      38.903      7.723  0  0
   290 {3.HA}   4.638  0.015  0.006 {4.H}   7.799  0.016  0.006       3.439      1.761  0  0
   291 {3.HB2 4.HB2 15.HD2}   3.077  0.013  0.019 {4.H 4.H 16.H}   7.803  0.024  0.033      24.470      5.085  0  0
   292 {4.HB2}   3.058  0.023  0.032 {4.H}   7.803  0.023  0.036      44.235      7.334  0  0
   293 {3.HB3 15.HD3}   2.937  0.025  0.021 {4.H 16.H}   7.803  0.024  0.020      18.382      2.407  0  0
   294 {4.HB3 7.HB3}   2.875  0.012  0.007 {4.H 4.H}   7.802  0.021  0.012       5.412      2.004  0  0
   295 {?}   7.746  0.017  0.049 {?}   7.757  0.028  0.045     202.969     31.619  0  0
   296 {26.HA}   5.140  0.022  0.039 {11.H}   7.694  0.028  0.048     152.424     17.809  0  0
   297 {11.HA}   5.041  0.019  0.026 {11.H}   7.695  0.027  0.042      48.820      6.705  0  0
   298 {10.HA}   4.401  0.014  0.033 {11.H}   7.694  0.028  0.051     270.854     47.392  0  0
   299 {?}   4.195  0.019  0.038 {?}   7.694  0.028  0.050     143.465     20.194  0  0
   300 {11.HB2}   3.315  0.014  0.019 {11.H}   7.696  0.023  0.024      17.673      3.023  0  0
   301 {11.HB3 15.HD2}   3.123  0.014  0.019 {11.H 11.H}   7.695  0.021  0.029      15.740      3.854  0  0
   302 {31.HB3}   1.217  0.013  0.024 {32.H}   7.695  0.029  0.048      64.660     11.226  0  0
   303 {?}   7.765  0.019  0.017 {?}   7.685  0.036  0.031      19.182      2.348  0  0
   304 {11.H 32.H}   7.668  0.015  0.036 {11.H 32.H}   7.678  0.019  0.038    2900.808    819.044  0  0
   305 {31.HA}   4.287  0.023  0.043 {32.H}   7.677  0.018  0.035     194.617     31.792  0  0
   306 {32.HA}   4.108  0.017  0.033 {32.H}   7.676  0.023  0.035      68.455     11.674  0  0
   307 {31.HB2}   1.547  0.032  0.045 {32.H}   7.677  0.019  0.028      42.600      5.396  0  0
   308 {32.HG}   1.506  0.015  0.036 {32.H}   7.677  0.020  0.036      77.174     21.807  0  0
   309 {?}   6.941  0.025  0.000 {?}   7.647  0.026  0.000       1.428      1.428  0  0
   310 {?}   6.912  0.018  0.001 {?}   7.648  0.029  0.002       1.478      1.478  0  0
   311 {?}   7.595  0.014  0.044 {?}   7.606  0.036  0.047      41.596      5.394  0  0
   312 {?}   7.646  0.001  0.002 {?}   7.534  0.045  0.064       9.291      2.191  0  0
   313 {9.HE21 21.H}   7.528  0.017  0.045 {9.HE21 21.H}   7.537  0.019  0.039    1426.570    413.342  0  0
   314 {9.HE22}   6.818  0.014  0.026 {9.HE21}   7.537  0.018  0.031      40.685     12.270  0  0
   315 {9.HG3}   2.205  0.034  0.069 {9.HE21}   7.537  0.020  0.036     186.347     17.844  0  0
   316 {9.HB2}   2.083  0.032  0.045 {9.HE21}   7.537  0.015  0.011      13.085      2.247  0  0
   317 {9.HE21 21.H}   7.503  0.022  0.044 {9.HE21 21.H}   7.512  0.027  0.043    6370.657    783.785  0  0
   318 {5.HA}   4.322  0.016  0.017 {9.HE21}   7.514  0.020  0.022      11.064      3.097  0  0
   319 {?}   3.161  0.024  0.036 {?}   7.514  0.018  0.032      64.246     13.100  0  0
   320 {15.HD2}   3.101  0.026  0.052 {9.HE21}   7.514  0.018  0.034     130.314     18.649  0  0
   321 {21.HA}   5.036  0.018  0.031 {21.H}   7.503  0.018  0.031      48.925     11.042  0  0
   322 {20.HA2 29.HA}   4.259  0.009  0.024 {21.H 21.H}   7.502  0.019  0.027      17.316      4.940  0  0
   323 {20.HA2 29.HA}   4.238  0.006  0.020 {21.H 21.H}   7.502  0.016  0.023       5.026      5.026  0  0
   324 {?}   4.009  0.016  0.027 {?}   7.502  0.017  0.028      23.508      9.163  0  0
   325 {20.HA3}   3.650  0.011  0.019 {21.H}   7.502  0.018  0.027      18.528      5.460  0  0
   326 {20.HA3}   3.630  0.013  0.017 {21.H}   7.502  0.015  0.021      10.296      4.981  0  0
   327 {9.HG2 21.HB2}   2.338  0.025  0.035 {9.HE21 21.H}   7.502  0.016  0.022      16.401      4.404  0  0
   328 {9.HB2 21.HB3}   2.119  0.024  0.053 {9.HE21 21.H}   7.503  0.019  0.036     160.478     24.245  0  0
   329 {9.HB2}   2.059  0.009  0.016 {9.HE21}   7.504  0.015  0.025      17.318      7.834  0  0
   330 {21.HG2}   1.864  0.023  0.032 {21.H}   7.503  0.017  0.025      25.723      5.230  0  0
   331 {21.H}   7.481  0.016  0.031 {21.H}   7.491  0.017  0.036    2715.819    750.640  0  0
   332 {31.HB3}   1.243  0.026  0.016 {21.H}   7.492  0.027  0.009      11.347      1.722  0  0
   333 {?}   1.184  0.011  0.016 {?}   7.488  0.037  0.043      24.746      3.837  0  0
   334 {?}   7.444  0.017  0.042 {?}   7.454  0.027  0.045     260.828     46.826  0  0
   335 {?}   9.109  0.016  0.032 {?}   7.419  0.018  0.033      44.268     12.912  0  0
   336 {?}   8.458  0.016  0.022 {?}   7.420  0.012  0.019      16.077      6.782  0  0
   337 {?}   7.411  0.015  0.043 {?}   7.420  0.017  0.037    2157.078    676.571  0  0
   338 {?}   4.904  0.023  0.036 {?}   7.420  0.017  0.029      36.701      8.112  0  0
   339 {?}   4.319  0.027  0.042 {?}   7.420  0.017  0.032     107.055     23.148  0  0
   340 {?}   3.220  0.030  0.001 {?}   7.420  0.011  0.000       1.449      1.449  0  0
   341 {?}   3.156  0.015  0.022 {?}   7.420  0.014  0.021      16.006      6.353  0  0
   342 {?}   3.101  0.021  0.033 {?}   7.420  0.012  0.018      19.304      5.611  0  0
   343 {?}   1.242  0.018  0.005 {?}   7.419  0.017  0.004       3.261      1.643  0  0
   344 {?}   1.117  0.027  0.041 {?}   7.420  0.016  0.025      30.390      6.399  0  0
   345 {?}   3.767  0.023  0.031 {?}   7.409  0.035  0.042      59.625      5.323  0  0
   346 {?}   1.185  0.011  0.013 {?}   7.409  0.044  0.050      24.459      3.573  0  0
   347 {?}   7.970  0.020  0.028 {?}   7.398  0.010  0.016      27.970      8.431  0  0
   348 {?}   7.390  0.018  0.032 {?}   7.398  0.016  0.034    1830.323    610.773  0  0
   349 {?}   5.139  0.021  0.019 {?}   7.397  0.011  0.010       8.706      2.514  0  0
   350 {?}   2.843  0.028  0.034 {?}   7.398  0.015  0.022      24.564      5.232  0  0
   351 {?}   2.041  0.018  0.031 {?}   7.398  0.014  0.024      32.523      9.084  0  0
   352 {?}   1.219  0.010  0.003 {?}   7.396  0.021  0.007       3.397      1.728  0  0
   353 {?}   0.956  0.033  0.044 {?}   7.397  0.016  0.024      27.948      5.492  0  0
   354 {?}  10.142  0.011  0.031 {?}   7.369  0.025  0.043      92.585     26.761  0  0
   355 {?}   7.360  0.018  0.034 {?}   7.369  0.023  0.033    4175.567    704.716  0  0
   356 {?}   7.275  0.023  0.032 {?}   7.335  0.016  0.034      13.372      2.820  0  0
   357 {?}   7.314  0.030  0.045 {?}   7.325  0.038  0.051     118.234      7.472  0  0
   358 {?}   7.271  0.024  0.039 {?}   7.280  0.023  0.038      56.607      7.696  0  0
   359 {?}   7.486  0.021  0.030 {?}   7.196  0.015  0.028      80.374     24.854  0  0
   360 {?}   7.340  0.001  0.000 {?}   7.199  0.021  0.005       2.905      1.494  0  0
   361 {24.HH11}   7.187  0.021  0.051 {24.HH11}   7.196  0.026  0.041    2739.659    427.323  0  0
   362 {?}   7.075  0.017  0.037 {?}   7.194  0.042  0.090     694.049     79.022  0  0
   363 {?}   7.366  0.015  0.028 {?}   7.143  0.018  0.041     120.797     34.723  0  0
   364 {?}   7.135  0.020  0.057 {?}   7.142  0.022  0.031    3728.943    531.364  0  0
   365 {?}   7.068  0.016  0.033 {?}   7.139  0.027  0.064     584.697     98.511  0  0
   366 {?}   7.107  0.017  0.035 {?}   7.115  0.021  0.040    5770.686   1049.928  0  0
   367 {?}   6.784  0.008  0.013 {?}   7.115  0.018  0.032      22.762     11.757  0  0
   368 {?}   4.658  0.049  0.033 {?}   7.111  0.040  0.017      25.859      1.820  0  0
   369 {?}   3.053  0.021  0.035 {?}   7.114  0.020  0.033      70.137     10.685  0  0
   370 {?}   2.938  0.030  0.042 {?}   7.114  0.021  0.034      80.114      8.782  0  0
   371 {?}   7.338  0.027  0.000 {?}   7.103  0.031  0.000       1.430      1.430  0  0
   372 {?}   7.504  0.012  0.022 {?}   7.086  0.016  0.038     111.090     45.555  0  0
   373 {?}   7.188  0.018  0.034 {?}   7.086  0.013  0.025     116.217     36.904  0  0
   374 {?}   7.392  0.019  0.031 {?}   7.077  0.021  0.036     219.628     37.711  0  0
   375 {?}   7.135  0.006  0.009 {?}   7.075  0.001  0.002       6.822      6.822  0  0
   376 {?}   7.072  0.024  0.046 {?}   7.080  0.021  0.042    3422.883    500.747  0  0
   377 {?}   2.042  0.017  0.016 {?}   7.076  0.019  0.019       9.732      2.766  0  0
   378 {?}   0.956  0.028  0.010 {?}   7.076  0.024  0.007       8.279      1.684  0  0
   379 {?}   0.740  0.015  0.013 {?}   7.075  0.027  0.021      12.795      2.311  0  0
   380 {?}   4.726  0.024  0.009 {?}   7.054  0.019  0.008       3.619      1.825  0  0
   381 {?}   7.022  0.029  0.058 {?}   7.030  0.036  0.052     126.077      9.637  0  0
   382 {15.HH11}   6.941  0.020  0.058 {15.HH11}   6.949  0.027  0.042     759.545    119.048  0  0
   383 {15.HD2}   3.110  0.023  0.044 {15.HH11}   6.949  0.026  0.041     108.136     12.598  0  0
   384 {15.HD3}   2.945  0.026  0.037 {15.HH11}   6.948  0.025  0.036      51.519      5.329  0  0
   385 {?}   1.672  0.035  0.057 {?}   6.949  0.025  0.037      79.785      7.321  0  0
   386 {15.HG2}   1.520  0.038  0.054 {15.HH11}   6.949  0.025  0.039     102.214      8.807  0  0
   387 {15.HG2}   1.483  0.032  0.045 {15.HH11}   6.948  0.027  0.041      68.663      6.428  0  0
   388 {15.HG3}   1.290  0.038  0.044 {15.HH11}   6.949  0.026  0.032      44.970      3.752  0  0
   389 {?}  10.142  0.015  0.037 {?}   6.918  0.014  0.028     140.056     59.423  0  0
   390 {?}   9.108  0.016  0.017 {?}   6.918  0.012  0.014       8.113      3.166  0  0
   391 {?}   8.445  0.008  0.007 {?}   6.917  0.008  0.007       2.566      2.566  0  0
   392 {10.H}   8.324  0.018  0.018 {15.HH11}   6.917  0.008  0.009       9.045      2.988  0  0
   393 {15.HH11}   6.911  0.010  0.026 {15.HH11}   6.918  0.014  0.030     395.797    169.508  0  0
   394 {?}   5.139  0.023  0.033 {?}   6.918  0.014  0.021      21.833      5.964  0  0
   395 {10.HA 15.HA}   4.400  0.015  0.023 {15.HH11 15.HH11}   6.917  0.013  0.020      16.340      6.934  0  0
   396 {?}   3.767  0.025  0.045 {?}   6.918  0.014  0.027      82.147     20.580  0  0
   397 {?}   2.841  0.028  0.033 {?}   6.917  0.014  0.019      19.835      4.324  0  0
   398 {?}   1.393  0.034  0.030 {?}   6.917  0.012  0.010      12.014      2.478  0  0
   399 {?}   1.217  0.013  0.025 {?}   6.917  0.014  0.025      27.454     11.326  0  0
   400 {?}   1.183  0.008  0.012 {?}   6.917  0.013  0.019       5.742      5.742  0  0
   401 {9.HE21}   7.527  0.012  0.036 {9.HE22}   6.824  0.016  0.036     661.697    273.070  0  0
   402 {9.HE22}   6.817  0.013  0.035 {9.HE22}   6.824  0.016  0.034      60.859     24.401  0  0
   403 {9.HG3}   2.205  0.034  0.056 {9.HE22}   6.824  0.016  0.027      47.109      8.707  0  0
   404 {9.HB2}   2.083  0.025  0.016 {9.HE22}   6.824  0.022  0.012      11.528      1.955  0  0
   405 {?}   7.105  0.013  0.028 {?}   6.805  0.014  0.029     122.441     50.837  0  0
   406 {?}   8.311  0.016  0.032 {?}   6.791  0.014  0.028      64.727     27.701  0  0
   407 {?}   8.329  0.018  0.015 {?}   6.738  0.012  0.006       5.354      1.925  0  0
   408 {5.HE21}   8.267  0.013  0.054 {5.HE22}   6.737  0.025  0.046     852.387    168.349  0  0
   409 {5.HE22}   6.731  0.017  0.024 {5.HE22}   6.738  0.028  0.039      28.205      5.213  0  0
   410 {?}   2.086  0.028  0.040 {?}   6.738  0.025  0.036      60.209      6.644  0  0
   411 {5.HB2}   1.977  0.032  0.037 {5.HE22}   6.738  0.023  0.026      30.334      3.260  0  0
   412 {5.HB3}   1.819  0.027  0.035 {5.HE22}   6.738  0.025  0.032      36.817      4.202  0  0
   413 {?}   1.216  0.015  0.009 {?}   6.738  0.023  0.013       9.398      2.000  0  0
   414 {?}   7.154  0.011  0.014 {?}   6.728  0.015  0.020       9.029      4.644  0  0
   415 {?}   6.123  0.015  0.011 {?}   6.128  0.027  0.021      12.435      2.292  0  0
   416 {?}   1.194  0.005  0.005 {?}   5.743  0.014  0.014       2.962      2.962  0  0
   417 {?}   1.172  0.004  0.003 {?}   5.713  0.006  0.006       2.505      2.505  0  0
   418 {27.H}   8.446  0.016  0.038 {26.HA}   5.142  0.028  0.064     277.245     51.623  0  0
   419 {9.H 10.H}   8.325  0.011  0.009 {26.HA 26.HA}   5.142  0.017  0.013       5.815      2.303  0  0
   420 {26.H}   7.969  0.018  0.033 {26.HA}   5.142  0.025  0.047     108.034     16.691  0  0
   421 {11.H}   7.684  0.018  0.033 {26.HA}   5.142  0.028  0.053     152.483     23.673  0  0
   422 {?}   7.390  0.016  0.016 {?}   5.142  0.015  0.014       6.676      2.726  0  0
   423 {?}   6.911  0.009  0.000 {?}   5.143  0.021  0.001       1.461      1.461  0  0
   424 {26.HA}   5.140  0.023  0.049 {26.HA}   5.142  0.025  0.036    1686.946    241.388  0  0
   425 {10.HA}   4.401  0.014  0.037 {26.HA}   5.142  0.028  0.066     293.577     53.909  0  0
   426 {?}   4.195  0.021  0.029 {?}   5.142  0.025  0.040      37.269      5.612  0  0
   427 {8.HA}   3.767  0.023  0.021 {26.HA}   5.142  0.022  0.020      16.872      2.547  0  0
   428 {27.HB2}   3.220  0.023  0.006 {26.HA}   5.142  0.016  0.004       3.097      1.646  0  0
   429 {11.HB3 27.HB3}   3.124  0.010  0.016 {26.HA 26.HA}   5.142  0.021  0.009       6.433      1.798  0  0
   430 {26.HB2}   2.839  0.017  0.027 {26.HA}   5.142  0.025  0.045      68.503     11.692  0  0
   431 {26.HB3}   2.541  0.022  0.021 {26.HA}   5.142  0.024  0.021      17.823      2.564  0  0
   432 {8.HB2}   1.220  0.012  0.013 {26.HA}   5.143  0.017  0.018       7.461      3.190  0  0
   433 {23.HA}   4.673  0.007  0.006 {26.HA}   5.136  0.020  0.008       3.218      1.785  0  0
   434 {12.H}   8.633  0.016  0.034 {11.HA}   5.045  0.020  0.049      67.641     17.977  0  0
   435 {15.H}   8.158  0.020  0.010 {11.HA}   5.047  0.014  0.006       4.683      1.803  0  0
   436 {11.H}   7.685  0.017  0.028 {11.HA}   5.047  0.019  0.039      55.770     12.312  0  0
   437 {12.HA}   4.310  0.017  0.021 {11.HA}   5.046  0.020  0.025      21.343      3.794  0  0
   438 {11.HB2}   3.315  0.014  0.019 {11.HA}   5.046  0.020  0.059     133.586     34.070  0  0
   439 {11.HB3 15.HD2}   3.121  0.022  0.032 {11.HA 11.HA}   5.045  0.019  0.049     226.324     34.376  0  0
   440 {15.HB2 30.HB2}   1.669  0.035  0.051 {11.HA 21.HA}   5.046  0.015  0.024      44.397      7.333  0  0
   441 {15.HG3}   1.291  0.038  0.051 {11.HA}   5.046  0.016  0.023      33.145      5.563  0  0
   442 {28.H}   9.233  0.017  0.015 {21.HA}   5.038  0.033  0.027      14.593      2.415  0  0
   443 {22.H}   9.045  0.022  0.039 {21.HA}   5.039  0.030  0.057     188.389     23.010  0  0
   444 {30.H}   8.071  0.017  0.032 {21.HA}   5.039  0.029  0.051     111.193     20.589  0  0
   445 {21.H}   7.494  0.018  0.031 {21.HA}   5.039  0.028  0.047     106.465     17.346  0  0
   446 {26.HA}   5.169  0.033  0.027 {11.HA}   5.042  0.021  0.012      16.850      2.027  0  0
   447 {11.HA 21.HA}   5.041  0.022  0.056 {11.HA 21.HA}   5.042  0.023  0.052    2711.614    378.846  0  0
   448 {23.HA}   4.658  0.042  0.026 {11.HA}   5.044  0.020  0.009      15.991      1.870  0  0
   449 {22.HA}   4.399  0.016  0.021 {21.HA}   5.042  0.021  0.030      25.581      4.870  0  0
   450 {29.HA}   4.231  0.022  0.046 {21.HA}   5.039  0.030  0.057     194.900     22.590  0  0
   451 {15.HD3}   2.942  0.021  0.007 {11.HA}   5.041  0.017  0.003       4.201      1.576  0  0
   452 {9.HG2 21.HB2}   2.337  0.029  0.045 {11.HA 21.HA}   5.039  0.028  0.041      69.456      7.396  0  0
   453 {21.HB3}   2.119  0.024  0.065 {21.HA}   5.039  0.029  0.056     323.187     38.641  0  0
   454 {9.HB2}   2.060  0.010  0.012 {11.HA}   5.039  0.016  0.020       7.160      3.520  0  0
   455 {?}   1.863  0.030  0.070 {?}   5.039  0.030  0.053     225.078     22.646  0  0
   456 {?}   9.228  0.022  0.018 {?}   4.960  0.037  0.021      19.445      2.244  0  0
   457 {19.HA}   4.960  0.017  0.035 {19.HA}   4.961  0.021  0.048      60.520     10.185  0  0
   458 {19.H}   7.945  0.013  0.014 {19.HA}   4.922  0.023  0.026      11.205      3.227  0  0
   459 {7.HB2 27.HB3}   3.135  0.007  0.023 {4.HA 28.HA}   4.922  0.023  0.034      11.967      6.011  0  0
   460 {28.H}   9.236  0.017  0.034 {28.HA}   4.905  0.023  0.052      94.274     13.948  0  0
   461 {8.H}   9.109  0.016  0.005 {4.HA}   4.906  0.021  0.006       6.130      1.684  0  0
   462 {29.H}   8.458  0.018  0.041 {28.HA}   4.904  0.022  0.062     350.419     54.436  0  0
   463 {?}   7.443  0.018  0.004 {?}   4.908  0.026  0.006       1.627      1.627  0  0
   464 {?}   7.412  0.014  0.030 {?}   4.905  0.021  0.051     146.212     40.329  0  0
   465 {29.HA}   4.230  0.021  0.018 {28.HA}   4.905  0.016  0.013       7.778      2.386  0  0
   466 {28.HD2}   1.487  0.023  0.028 {28.HA}   4.905  0.015  0.020      16.270      4.466  0  0
   467 {28.HD3}   1.393  0.033  0.052 {28.HA}   4.904  0.019  0.036      81.182      9.101  0  0
   468 {3.HA}   4.668  0.018  0.020 {4.HA}   4.900  0.030  0.035      24.356      3.508  0  0
   469 {5.HA 16.HA}   4.323  0.027  0.030 {4.HA 17.HA}   4.897  0.019  0.045      28.421      3.162  0  0
   470 {28.HB2}   1.959  0.034  0.063 {28.HA}   4.903  0.044  0.063     334.303     18.553  0  0
   471 {28.HB3}   1.650  0.035  0.051 {28.HA}   4.904  0.017  0.032      66.912      9.244  0  0
   472 {5.H}   9.155  0.015  0.046 {4.HA}   4.886  0.029  0.064     202.767     36.072  0  0
   473 {4.H}   7.793  0.018  0.037 {4.HA}   4.887  0.024  0.044     104.835     18.026  0  0
   474 {4.HA 17.HA 28.HA}   4.888  0.018  0.038 {4.HA 17.HA 28.HA}   4.888  0.025  0.073     928.542    141.526  0  0
   475 {18.HA}   4.501  0.026  0.022 {17.HA}   4.886  0.035  0.028      23.636      2.333  0  0
   476 {4.HB2}   3.077  0.023  0.032 {4.HA}   4.887  0.025  0.047     205.308     33.012  0  0
   477 {4.HB2}   3.061  0.023  0.032 {4.HA}   4.887  0.024  0.045     189.440     31.297  0  0
   478 {4.HB3 4.HB3 7.HB3}   2.893  0.006  0.029 {4.HA 17.HA 4.HA}   4.887  0.026  0.050      27.679     12.984  0  0
   479 {4.HB3 4.HB3 7.HB3}   2.875  0.005  0.026 {4.HA 17.HA 4.HA}   4.887  0.026  0.046      39.440     18.774  0  0
   480 {19.H}   7.954  0.013  0.011 {17.HA}   4.870  0.017  0.013       5.061      2.326  0  0
   481 {18.H}   9.397  0.023  0.032 {17.HA}   4.865  0.029  0.051     111.707     12.233  0  0
   482 {4.HA 17.HA}   4.861  0.028  0.056 {4.HA 17.HA}   4.859  0.024  0.047     451.210     42.840  0  0
   483 {15.HD3}   2.941  0.024  0.047 {17.HA}   4.858  0.023  0.048     104.369     13.079  0  0
   484 {9.HB2 9.HB2}   2.118  0.017  0.003 {4.HA 17.HA}   4.858  0.010  0.002       2.979      1.558  0  0
   485 {9.HB2}   2.060  0.012  0.018 {17.HA}   4.859  0.014  0.021      11.522      5.265  0  0
   486 {?}   1.962  0.053  0.086 {?}   4.859  0.034  0.060     412.246     20.067  0  0
   487 {?}   1.815  0.028  0.033 {?}   4.859  0.027  0.039      46.328      3.878  0  0
   488 {18.H}   9.374  0.016  0.063 {17.HA}   4.856  0.023  0.051     304.287     54.386  0  0
   489 {17.H}   9.037  0.013  0.016 {17.HA}   4.855  0.022  0.027      13.949      3.742  0  0
   490 {5.HA 5.HA 16.HA}   4.328  0.026  0.027 {4.HA 17.HA 17.HA}   4.857  0.010  0.023      11.549      3.024  0  0
   491 {16.HA}   4.293  0.024  0.018 {17.HA}   4.856  0.031  0.020      13.454      2.122  0  0
   492 {17.HB2 18.HB2}   2.455  0.006  0.008 {17.HA 17.HA}   4.855  0.023  0.014       3.895      2.047  0  0
   493 {17.HB2 18.HB2 18.HB2}   2.437  0.019  0.019 {17.HA 4.HA 17.HA}   4.857  0.023  0.024      18.812      2.949  0  0
   494 {?}   4.734  0.026  0.005 {?}   4.817  0.031  0.003       1.500      1.500  0  0
   495 {28.H}   9.232  0.022  0.051 {27.HA}   4.798  0.022  0.062     470.371     65.442  0  0
   496 {27.H}   8.445  0.014  0.027 {27.HA}   4.798  0.020  0.041      50.808     13.755  0  0
   497 {24.H}   8.116  0.019  0.033 {27.HA}   4.798  0.023  0.051      67.688      9.553  0  0
   498 {27.HA}   4.803  0.027  0.051 {27.HA}   4.798  0.022  0.062     186.933     22.458  0  0
   499 {23.HA}   4.678  0.025  0.003 {27.HA}   4.797  0.018  0.002       3.023      1.511  0  0
   500 {27.HB2}   3.220  0.029  0.049 {27.HA}   4.798  0.020  0.043     113.554     13.582  0  0
   501 {27.HB3}   3.117  0.022  0.032 {27.HA}   4.798  0.018  0.037      66.924     14.286  0  0
   502 {27.HB3}   3.102  0.014  0.019 {27.HA}   4.797  0.019  0.038      52.094     14.108  0  0
   503 {21.HG2}   1.864  0.020  0.018 {27.HA}   4.797  0.017  0.015       9.133      2.578  0  0
   504 {7.H}   8.505  0.014  0.011 {7.HA}   4.734  0.033  0.028      12.513      2.395  0  0
   505 {?}   7.945  0.013  0.024 {?}   4.734  0.028  0.047      54.436      9.924  0  0
   506 {?}   7.137  0.016  0.005 {?}   4.735  0.017  0.006       2.952      1.697  0  0
   507 {7.HB2}   3.144  0.004  0.002 {7.HA}   4.734  0.021  0.004       1.580      1.580  0  0
   508 {4.HA}   4.872  0.027  0.025 {7.HA}   4.710  0.049  0.018      20.383      1.866  0  0
   509 {7.HA}   4.734  0.022  0.029 {7.HA}   4.709  0.040  0.056      98.243      8.136  0  0
   510 {23.HA}   4.687  0.010  0.008 {23.HA}   4.706  0.051  0.041      12.930      2.454  0  0
   511 {?}   8.278  0.007  0.001 {?}   4.701  0.022  0.003       1.513      1.513  0  0
   512 {24.HH11}   7.178  0.024  0.020 {23.HA}   4.702  0.024  0.018      16.196      2.336  0  0
   513 {28.H}   9.232  0.034  0.015 {23.HA}   4.689  0.021  0.007       6.198      1.733  0  0
   514 {24.H}   8.116  0.021  0.046 {23.HA}   4.687  0.028  0.049     158.715     23.654  0  0
   515 {24.HD2}   3.224  0.028  0.037 {23.HA}   4.687  0.025  0.037      65.498      6.872  0  0
   516 {3.HA 23.HA}   4.676  0.007  0.009 {3.HA 23.HA}   4.675  0.011  0.014       3.747      3.747  0  0
   517 {?}   7.746  0.014  0.018 {?}   4.648  0.024  0.035      23.069      3.950  0  0
   518 {3.HB3}   2.937  0.013  0.019 {3.HA}   4.653  0.035  0.043      30.119      5.085  0  0
   519 {3.H}   8.279  0.008  0.015 {3.HA}   4.644  0.016  0.029      10.102     10.102  0  0
   520 {4.H}   7.792  0.017  0.040 {3.HA}   4.644  0.019  0.041     273.971     64.552  0  0
   521 {?}   7.107  0.017  0.028 {?}   4.644  0.016  0.029      32.426     11.008  0  0
   522 {3.HA}   4.636  0.020  0.034 {3.HA}   4.644  0.020  0.039      99.067     15.497  0  0
   523 {?}   4.375  0.018  0.009 {?}   4.643  0.025  0.032      11.630      1.790  0  0
   524 {3.HB2}   3.053  0.016  0.032 {3.HA}   4.644  0.014  0.025      38.562     15.466  0  0
   525 {3.HB3}   2.920  0.010  0.017 {3.HA}   4.643  0.021  0.030      16.509      5.012  0  0
   526 {?}   4.745  0.045  0.004 {?}   4.545  0.015  0.002       1.476      1.476  0  0
   527 {9.H}   8.325  0.014  0.045 {9.HA}   4.536  0.029  0.062     510.370     93.913  0  0
   528 {9.HA 18.HA}   4.532  0.024  0.050 {9.HA 18.HA}   4.537  0.028  0.054     804.860     86.156  0  0
   529 {?}   4.402  0.018  0.026 {?}   4.535  0.061  0.086      66.101      4.947  0  0
   530 {10.HB}   4.196  0.019  0.020 {9.HA}   4.537  0.027  0.028      19.529      3.033  0  0
   531 {9.HG2}   2.338  0.031  0.050 {9.HA}   4.536  0.026  0.040      81.844      8.354  0  0
   532 {9.HG3}   2.204  0.032  0.068 {9.HA}   4.537  0.026  0.047     267.247     25.400  0  0
   533 {9.HB2}   2.085  0.031  0.052 {9.HA}   4.537  0.026  0.048     235.065     23.111  0  0
   534 {8.HB2}   1.217  0.011  0.007 {9.HA}   4.536  0.010  0.007       3.783      2.139  0  0
   535 {15.HD2}   3.135  0.014  0.007 {9.HA}   4.517  0.016  0.007       3.274      1.853  0  0
   536 {9.H}   8.293  0.016  0.036 {9.HA}   4.508  0.036  0.070     433.669     65.498  0  0
   537 {?}   4.736  0.028  0.021 {?}   4.507  0.023  0.039      19.789      2.027  0  0
   538 {18.HA}   4.504  0.027  0.069 {18.HA}   4.507  0.032  0.073     939.911     86.539  0  0
   539 {?}   4.009  0.016  0.017 {?}   4.507  0.016  0.018       7.938      3.058  0  0
   540 {?}   3.371  0.026  0.054 {?}   4.507  0.032  0.065     296.379     28.737  0  0
   541 {4.HB3}   2.895  0.023  0.032 {18.HA}   4.507  0.024  0.047      72.526     10.466  0  0
   542 {18.HB2}   2.421  0.012  0.019 {18.HA}   4.507  0.026  0.032      18.908      3.478  0  0
   543 {18.HB2}   2.402  0.007  0.015 {18.HA}   4.508  0.026  0.027       7.048      2.937  0  0
   544 {18.H}   9.374  0.017  0.037 {18.HA}   4.505  0.020  0.042      57.091     15.292  0  0
   545 {5.H}   9.154  0.014  0.005 {18.HA}   4.504  0.018  0.006       4.845      1.711  0  0
   546 {4.HA 17.HA}   4.887  0.017  0.008 {9.HA 18.HA}   4.505  0.014  0.005       4.340      1.767  0  0
   547 {4.HB2}   3.077  0.008  0.028 {9.HA}   4.505  0.018  0.036      25.398     11.248  0  0
   548 {4.HB3}   2.874  0.005  0.023 {18.HA}   4.505  0.020  0.040      24.613     10.640  0  0
   549 {18.HB2}   2.439  0.013  0.019 {18.HA}   4.504  0.021  0.025      12.651      3.463  0  0
   550 {26.H}   7.955  0.017  0.017 {24.HA}   4.464  0.027  0.028      16.245      2.992  0  0
   551 {24.H}   8.115  0.017  0.035 {24.HA}   4.437  0.022  0.049     117.353     19.382  0  0
   552 {25.H}   7.996  0.016  0.066 {24.HA}   4.435  0.030  0.068     471.822     79.111  0  0
   553 {25.HA 25.HA}   3.621  0.025  0.037 {10.HA 24.HA}   4.436  0.019  0.037      63.047      8.161  0  0
   554 {24.HD2}   3.191  0.030  0.045 {24.HA}   4.436  0.020  0.043      96.758     10.930  0  0
   555 {24.HD3}   3.025  0.019  0.023 {24.HA}   4.436  0.018  0.023      18.767      4.257  0  0
   556 {24.HB2}   1.613  0.030  0.051 {24.HA}   4.436  0.019  0.043     171.447     20.050  0  0
   557 {10.HA 15.HA 22.HA 24.HA}   4.429  0.031  0.069 {10.HA 15.HA 22.HA 24.HA}   4.431  0.033  0.074    3563.357    277.440  0  0
   558 {15.HB3 15.HG2 24.HB3}   1.478  0.031  0.072 {15.HA 15.HA 24.HA}   4.431  0.033  0.062     416.916     35.394  0  0
   559 {24.HG2}   1.363  0.031  0.049 {24.HA}   4.434  0.021  0.038      95.602      9.274  0  0
   560 {14.H}   8.220  0.017  0.002 {15.HA}   4.420  0.013  0.001       1.497      1.497  0  0
   561 {15.H 24.H}   8.157  0.022  0.040 {15.HA 24.HA}   4.420  0.026  0.047     114.130     16.545  0  0
   562 {16.H}   7.810  0.019  0.051 {15.HA}   4.419  0.029  0.062     589.505     89.645  0  0
   563 {16.HA}   4.296  0.013  0.037 {15.HA}   4.417  0.044  0.071      40.175      4.894  0  0
   564 {15.HB2}   1.672  0.030  0.055 {15.HA}   4.419  0.022  0.036     101.519     10.339  0  0
   565 {15.HB3 15.HG2}   1.521  0.022  0.032 {15.HA 15.HA}   4.419  0.019  0.030      47.214      8.024  0  0
   566 {15.HG3}   1.291  0.034  0.060 {15.HA}   4.420  0.025  0.044     175.730     16.957  0  0
   567 {22.H}   9.050  0.011  0.023 {22.HA}   4.402  0.020  0.041      40.580     11.484  0  0
   568 {27.H}   8.446  0.015  0.024 {10.HA}   4.404  0.018  0.036      35.206     10.608  0  0
   569 {10.H}   8.325  0.014  0.028 {10.HA}   4.404  0.019  0.042      74.297     21.889  0  0
   570 {11.H}   7.684  0.019  0.038 {10.HA}   4.404  0.020  0.051     533.205     85.607  0  0
   571 {15.HH11 15.HH11}   6.911  0.008  0.006 {10.HA 15.HA}   4.403  0.016  0.013       2.444      2.444  0  0
   572 {26.HA}   5.140  0.023  0.047 {10.HA}   4.404  0.021  0.051     473.486     72.057  0  0
   573 {11.HA 21.HA}   5.040  0.020  0.022 {10.HA 22.HA}   4.406  0.023  0.026      21.414      3.512  0  0
   574 {?}   4.729  0.022  0.037 {?}   4.411  0.063  0.090     139.134      7.108  0  0
   575 {10.HA 15.HA 22.HA}   4.401  0.021  0.086 {10.HA 15.HA 22.HA}   4.404  0.027  0.068    4523.433    693.124  0  0
   576 {10.HB}   4.195  0.020  0.045 {10.HA}   4.404  0.021  0.050     290.408     46.163  0  0
   577 {24.HD2}   3.224  0.025  0.029 {24.HA}   4.403  0.018  0.025      23.620      4.602  0  0
   578 {26.HB2}   2.846  0.017  0.020 {10.HA}   4.403  0.016  0.021      10.209      3.826  0  0
   579 {22.HB}   1.840  0.024  0.059 {22.HA}   4.403  0.022  0.053     289.862     39.756  0  0
   580 {24.HG3}   1.217  0.012  0.025 {24.HA}   4.404  0.018  0.041     112.536     33.452  0  0
   581 {?}   0.784  0.009  0.015 {?}   4.403  0.014  0.022      18.740      8.361  0  0
   582 {?}   0.754  0.008  0.012 {?}   4.402  0.017  0.024       5.189      5.189  0  0
   583 {?}   8.282  0.016  0.032 {?}   4.376  0.017  0.041      78.154     32.567  0  0
   584 {10.HA 14.HA 22.HA}   4.374  0.018  0.037 {10.HA 14.HA 22.HA}   4.376  0.017  0.047    2161.567    473.983  0  0
   585 {14.HG2 14.HG3}   2.162  0.031  0.052 {14.HA 14.HA}   4.376  0.016  0.033      70.246     14.066  0  0
   586 {?}   1.743  0.026  0.033 {?}   4.377  0.012  0.016      20.482      4.166  0  0
   587 {14.H}   8.224  0.022  0.043 {14.HA}   4.346  0.028  0.050     121.865     18.134  0  0
   588 {15.H}   8.157  0.021  0.034 {14.HA}   4.347  0.026  0.039      49.154      7.473  0  0
   589 {15.H 15.H}   8.128  0.011  0.001 {12.HA 14.HA}   4.347  0.020  0.002       1.482      1.482  0  0
   590 {5.HA 12.HA 14.HA}   4.343  0.029  0.064 {5.HA 12.HA 14.HA}   4.344  0.033  0.094    5393.206    493.949  0  0
   591 {14.HB3}   2.035  0.028  0.046 {14.HA}   4.346  0.029  0.050     241.806     23.034  0  0
   592 {14.HB2}   1.907  0.031  0.059 {14.HA}   4.346  0.025  0.044     174.918     17.754  0  0
   593 {6.H 27.H}   8.451  0.023  0.032 {5.HA 5.HA}   4.340  0.029  0.050     100.861     10.555  0  0
   594 {?}   3.706  0.012  0.020 {?}   4.331  0.016  0.024      11.980      5.971  0  0
   595 {?}   3.687  0.009  0.018 {?}   4.331  0.015  0.022      10.684      5.150  0  0
   596 {5.HB2}   1.961  0.059  0.084 {5.HA}   4.332  0.026  0.051     337.420     16.246  0  0
   597 {5.H}   9.156  0.017  0.024 {5.HA}   4.329  0.018  0.026      24.558      5.272  0  0
   598 {?}   9.109  0.017  0.041 {?}   4.320  0.024  0.062     227.086     38.198  0  0
   599 {?}   8.421  0.021  0.051 {?}   4.329  0.021  0.048     372.269     53.390  0  0
   600 {9.HE21}   7.506  0.013  0.014 {5.HA}   4.320  0.014  0.016       7.474      3.256  0  0
   601 {?}   7.412  0.012  0.028 {?}   4.320  0.022  0.051     167.440     47.194  0  0
   602 {6.HA 30.HA 32.HA}   4.110  0.020  0.020 {5.HA 31.HA 31.HA}   4.326  0.017  0.017       9.405      2.799  0  0
   603 {?}   3.767  0.022  0.033 {?}   4.320  0.020  0.035      55.007      7.669  0  0
   604 {27.HB2}   3.220  0.028  0.049 {5.HA}   4.318  0.020  0.040     108.350     13.052  0  0
   605 {?}   3.156  0.016  0.037 {?}   4.319  0.021  0.047     116.319     19.511  0  0
   606 {12.H}   8.635  0.015  0.024 {12.HA}   4.312  0.024  0.041      51.924     11.185  0  0
   607 {13.H 31.H}   8.273  0.019  0.048 {12.HA 31.HA}   4.314  0.028  0.071     324.471     48.550  0  0
   608 {11.HA}   5.045  0.021  0.025 {12.HA}   4.311  0.024  0.030      23.363      3.573  0  0
   609 {5.HA 12.HA 16.HA 31.HA}   4.311  0.020  0.075 {5.HA 12.HA 16.HA 31.HA}   4.313  0.028  0.084    5793.627    887.153  0  0
   610 {13.HA}   4.010  0.008  0.008 {12.HA}   4.312  0.014  0.013       2.667      2.667  0  0
   611 {12.HB2}   3.066  0.021  0.076 {12.HA}   4.313  0.024  0.049     741.342    121.971  0  0
   612 {17.H}   9.037  0.021  0.043 {16.HA}   4.296  0.021  0.047     176.300     25.702  0  0
   613 {16.H}   7.809  0.014  0.026 {16.HA}   4.297  0.021  0.045      72.791     19.531  0  0
   614 {?}   4.729  0.022  0.073 {?}   4.301  0.049  0.116     201.790     14.310  0  0
   615 {11.HB2}   3.315  0.014  0.019 {12.HA}   4.301  0.029  0.037      27.562      4.604  0  0
   616 {5.HB3 16.HB2}   1.831  0.034  0.059 {5.HA 16.HA}   4.297  0.021  0.050     201.997     19.072  0  0
   617 {16.HB3}   1.663  0.027  0.045 {16.HA}   4.297  0.018  0.032      61.442     10.099  0  0
   618 {16.HG3}   1.388  0.046  0.067 {16.HA}   4.297  0.018  0.034      98.220      8.630  0  0
   619 {32.H}   7.668  0.015  0.031 {31.HA}   4.289  0.027  0.052     242.850     44.389  0  0
   620 {12.HA 16.HA 20.HA2 31.HA}   4.289  0.025  0.068 {12.HA 16.HA 20.HA2 31.HA}   4.290  0.027  0.069    7821.816    900.185  0  0
   621 {30.HA 32.HA}   4.121  0.016  0.009 {31.HA 31.HA}   4.288  0.018  0.009       3.647      1.899  0  0
   622 {31.HB2}   1.551  0.030  0.058 {31.HA}   4.289  0.023  0.039     167.934     17.834  0  0
   623 {?}   0.788  0.008  0.011 {?}   4.288  0.012  0.016       4.349      4.349  0  0
   624 {?}   4.010  0.017  0.014 {?}   4.251  0.018  0.014       8.746      2.307  0  0
   625 {20.HA3}   3.650  0.014  0.019 {20.HA2}   4.249  0.035  0.076     791.150    108.793  0  0
   626 {20.HA3}   3.630  0.017  0.032 {20.HA2}   4.251  0.036  0.076     916.068    129.220  0  0
   627 {21.H}   7.493  0.018  0.028 {20.HA2}   4.246  0.030  0.046      63.182      8.677  0  0
   628 {?}   4.730  0.022  0.023 {?}   4.239  0.041  0.059      40.532      2.967  0  0
   629 {22.H}   9.045  0.017  0.007 {29.HA}   4.230  0.021  0.006       3.019      1.650  0  0
   630 {29.H}   8.458  0.015  0.027 {29.HA}   4.232  0.026  0.048     104.901     21.002  0  0
   631 {30.H}   8.071  0.017  0.037 {29.HA}   4.232  0.027  0.061     487.503     90.575  0  0
   632 {?}   7.412  0.009  0.003 {?}   4.232  0.014  0.005       1.756      1.756  0  0
   633 {21.HA}   5.037  0.026  0.050 {29.HA}   4.232  0.025  0.049     174.824     19.196  0  0
   634 {10.HB 20.HA2 29.HA}   4.233  0.021  0.088 {10.HB 20.HA2 29.HA}   4.235  0.023  0.068    3051.279    408.827  0  0
   635 {30.HA}   4.126  0.011  0.002 {29.HA}   4.232  0.010  0.002       3.034      1.566  0  0
   636 {21.HB2}   2.339  0.025  0.035 {29.HA}   4.233  0.020  0.028      30.424      4.460  0  0
   637 {21.HB3}   2.119  0.023  0.054 {29.HA}   4.232  0.025  0.047     209.386     30.695  0  0
   638 {21.HG2}   1.864  0.018  0.026 {29.HA}   4.232  0.023  0.034      38.261      5.959  0  0
   639 {29.HB2}   1.732  0.032  0.056 {29.HA}   4.232  0.024  0.044     195.163     19.778  0  0
   640 {29.HB3}   1.578  0.028  0.040 {29.HA}   4.231  0.021  0.033      59.537      8.195  0  0
   641 {29.HG3}   1.117  0.029  0.054 {29.HA}   4.232  0.025  0.045     164.465     17.047  0  0
   642 {10.H}   8.325  0.014  0.030 {10.HB}   4.196  0.026  0.048     148.096     29.471  0  0
   643 {?}   7.684  0.019  0.036 {?}   4.196  0.026  0.050     206.221     32.835  0  0
   644 {?}   5.140  0.023  0.033 {?}   4.196  0.023  0.035      40.978      6.346  0  0
   645 {?}   4.770  0.023  0.032 {?}   4.195  0.035  0.012      13.921      1.690  0  0
   646 {?}   4.732  0.025  0.027 {?}   4.199  0.011  0.027      12.937      3.187  0  0
   647 {10.HA}   4.402  0.011  0.026 {10.HB}   4.196  0.026  0.046     134.050     37.866  0  0
   648 {10.HB}   4.194  0.019  0.066 {10.HB}   4.196  0.027  0.070    4092.423    669.228  0  0
   649 {?}   3.488  0.021  0.019 {?}   4.194  0.017  0.015      10.552      2.583  0  0
   650 {?}   1.216  0.015  0.030 {?}   4.196  0.028  0.053     345.976     66.264  0  0
   651 {30.H}   8.071  0.018  0.035 {30.HA}   4.123  0.023  0.047     138.084     23.127  0  0
   652 {6.HB3 30.HB2}   1.692  0.027  0.045 {6.HA 30.HA}   4.121  0.018  0.036      89.473     15.512  0  0
   653 {30.HG2}   1.263  0.026  0.043 {30.HA}   4.122  0.019  0.038     101.376     13.920  0  0
   654 {6.H}   8.423  0.017  0.029 {6.HA}   4.111  0.027  0.048      70.208     12.886  0  0
   655 {31.H}   8.263  0.018  0.046 {30.HA}   4.118  0.023  0.064     795.822    120.108  0  0
   656 {32.H}   7.665  0.012  0.020 {32.HA}   4.109  0.020  0.043      49.939     14.950  0  0
   657 {?}   4.727  0.028  0.104 {?}   4.112  0.035  0.060     146.349     12.972  0  0
   658 {?}   4.689  0.006  0.013 {?}   4.113  0.035  0.034       6.773      2.767  0  0
   659 {6.HA 30.HA 32.HA}   4.111  0.032  0.085 {6.HA 30.HA 32.HA}   4.111  0.032  0.075   13890.104   1101.471  0  0
   660 {7.HB2}   3.157  0.007  0.004 {6.HA}   4.111  0.015  0.009       2.010      2.010  0  0
   661 {6.HB2}   2.058  0.016  0.047 {6.HA}   4.111  0.026  0.050     348.966     64.355  0  0
   662 {6.HD3 31.HB2}   1.578  0.012  0.036 {6.HA 32.HA}   4.113  0.023  0.032      25.243      6.616  0  0
   663 {6.HG2 30.HB3 32.HG}   1.523  0.017  0.032 {6.HA 30.HA 32.HA}   4.116  0.021  0.042     104.199     18.178  0  0
   664 {6.HG2 30.HB3 32.HG}   1.498  0.011  0.021 {6.HA 30.HA 32.HA}   4.109  0.016  0.031      25.408     12.403  0  0
   665 {6.HG3}   1.400  0.027  0.042 {6.HA}   4.112  0.024  0.040      99.117     10.485  0  0
   666 {?}   4.670  0.018  0.005 {?}   4.046  0.012  0.003       2.946      1.661  0  0
   667 {13.H}   8.293  0.023  0.032 {13.HA}   4.009  0.022  0.048     239.797     41.566  0  0
   668 {14.H}   8.220  0.018  0.027 {13.HA}   4.010  0.019  0.035      35.959      8.241  0  0
   669 {?}   7.493  0.017  0.029 {?}   4.009  0.021  0.039      67.950     11.255  0  0
   670 {?}   4.734  0.024  0.030 {?}   4.009  0.021  0.038      55.892      7.563  0  0
   671 {?}   4.259  0.009  0.004 {?}   4.007  0.022  0.010       1.828      1.829  0  0
   672 {13.HA}   4.010  0.018  0.052 {13.HA}   4.010  0.025  0.071    8421.953   1431.607  0  0
   673 {13.HB2}   3.879  0.013  0.025 {13.HA}   4.009  0.020  0.044     183.695     52.756  0  0
   674 {13.HB3}   3.830  0.022  0.038 {13.HA}   4.009  0.021  0.045     311.325     47.577  0  0
   675 {?}   3.650  0.009  0.019 {?}   4.009  0.020  0.030      16.328      4.974  0  0
   676 {?}   3.630  0.010  0.014 {?}   4.009  0.015  0.021       8.300      4.434  0  0
   677 {?}   2.258  0.027  0.032 {?}   4.009  0.016  0.020      16.878      3.870  0  0
   678 {?}   1.969  0.029  0.049 {?}   4.009  0.021  0.041     139.328     17.924  0  0
   679 {?}   1.911  0.026  0.047 {?}   4.009  0.019  0.037      99.011     14.799  0  0
   680 {?}   4.011  0.019  0.020 {?}   3.950  0.017  0.017       8.750      2.920  0  0
   681 {?}   4.698  0.014  0.018 {?}   3.916  0.018  0.025      16.580      5.107  0  0
   682 {13.HB2}   3.913  0.017  0.074 {13.HB2}   3.913  0.028  0.049    7401.749   1263.640  0  0
   683 {?}   3.475  0.029  0.042 {?}   3.914  0.026  0.047     263.100     30.453  0  0
   684 {?}   3.449  0.010  0.041 {?}   3.912  0.023  0.047     112.957     29.671  0  0
   685 {13.H}   8.274  0.011  0.024 {13.HB2}   3.883  0.018  0.040      64.272     18.336  0  0
   686 {14.H}   8.220  0.019  0.025 {13.HB2}   3.883  0.019  0.027      22.434      4.844  0  0
   687 {?}   4.730  0.013  0.014 {?}   3.880  0.018  0.021      11.666      3.598  0  0
   688 {13.HA}   4.011  0.014  0.032 {13.HB2}   3.884  0.020  0.064     327.991     91.484  0  0
   689 {13.HB2}   3.883  0.026  0.084 {13.HB2}   3.883  0.021  0.064    2760.891    359.250  0  0
   690 {13.HB3}   3.830  0.022  0.049 {13.HB2}   3.882  0.020  0.063    1382.577    203.376  0  0
   691 {13.H}   8.274  0.012  0.025 {13.HB3}   3.830  0.022  0.045      86.022     24.418  0  0
   692 {14.H}   8.220  0.019  0.023 {13.HB3}   3.830  0.022  0.030      27.252      4.198  0  0
   693 {?}   4.731  0.014  0.016 {?}   3.827  0.015  0.019       9.698      3.766  0  0
   694 {13.HA}   4.011  0.017  0.036 {13.HB3}   3.830  0.027  0.064     473.215     78.017  0  0
   695 {13.HB2}   3.883  0.021  0.048 {13.HB3}   3.830  0.029  0.053    1517.263    222.489  0  0
   696 {13.HB3}   3.833  0.014  0.050 {13.HB3}   3.829  0.029  0.055    2096.214    366.880  0  0
   697 {?}   4.669  0.012  0.006 {?}   3.798  0.021  0.010       4.255      1.868  0  0
   698 {?}  10.142  0.009  0.006 {?}   3.766  0.027  0.016       6.108      2.067  0  0
   699 {8.H}   9.108  0.016  0.043 {8.HA}   3.766  0.022  0.061     202.129     33.418  0  0
   700 {27.H}   8.446  0.015  0.022 {8.HA}   3.766  0.019  0.032      22.139      6.228  0  0
   701 {9.H 10.H}   8.287  0.019  0.031 {8.HA 8.HA}   3.766  0.018  0.033      41.348      9.178  0  0
   702 {?}   7.411  0.005  0.017 {?}   3.766  0.018  0.026      10.886      4.939  0  0
   703 {?}   7.389  0.018  0.026 {?}   3.766  0.019  0.033      42.071      6.874  0  0
   704 {?}   6.911  0.010  0.018 {?}   3.766  0.021  0.040      25.164      6.886  0  0
   705 {26.HA}   5.139  0.021  0.020 {8.HA}   3.766  0.018  0.017      11.607      2.653  0  0
   706 {5.HA}   4.321  0.017  0.023 {8.HA}   3.766  0.019  0.030      22.957      5.930  0  0
   707 {8.HA}   3.767  0.025  0.070 {8.HA}   3.766  0.030  0.075    2254.648    236.791  0  0
   708 {26.HB2}   2.846  0.017  0.024 {8.HA}   3.766  0.020  0.033      41.038      5.778  0  0
   709 {8.HG2}   1.677  0.025  0.038 {8.HA}   3.766  0.012  0.019      23.930      6.403  0  0
   710 {8.HG3}   1.591  0.028  0.043 {8.HA}   3.766  0.019  0.039     130.189     16.641  0  0
   711 {8.HB2}   1.241  0.015  0.018 {8.HA}   3.766  0.017  0.025      19.928      5.352  0  0
   712 {?}   1.181  0.009  0.016 {?}   3.766  0.009  0.014      14.199      7.097  0  0
   713 {?}   4.329  0.017  0.023 {?}   3.696  0.025  0.038      37.468      6.239  0  0
   714 {?}   3.706  0.023  0.032 {?}   3.696  0.035  0.077     562.879     69.757  0  0
   715 {?}   3.687  0.014  0.019 {?}   3.694  0.035  0.075     458.410     70.985  0  0
   716 {?}   3.076  0.013  0.019 {?}   3.694  0.016  0.030      29.771     12.170  0  0
   717 {?}   1.167  0.005  0.002 {?}   3.679  0.076  0.018       4.398      1.752  0  0
   718 {21.H}   7.493  0.018  0.027 {20.HA3}   3.641  0.027  0.041      56.329      7.950  0  0
   719 {20.HA2}   4.238  0.014  0.019 {20.HA3}   3.641  0.032  0.064     636.080     94.511  0  0
   720 {?}   4.009  0.017  0.032 {?}   3.640  0.042  0.103      90.366     10.322  0  0
   721 {?}   4.726  0.026  0.026 {?}   3.634  0.034  0.035      28.860      2.859  0  0
   722 {20.HA2}   4.259  0.023  0.032 {20.HA3}   3.638  0.039  0.089    1107.998    100.790  0  0
   723 {24.H}   8.115  0.016  0.009 {25.HA}   3.620  0.022  0.013       6.359      2.014  0  0
   724 {25.H}   7.997  0.019  0.088 {25.HA}   3.621  0.030  0.065     658.644    101.622  0  0
   725 {11.H}   7.685  0.013  0.013 {25.HA}   3.620  0.023  0.023      13.404      2.757  0  0
   726 {10.HA 24.HA}   4.433  0.021  0.030 {25.HA 25.HA}   3.620  0.027  0.037      37.688      5.672  0  0
   727 {20.HA3 25.HA}   3.624  0.027  0.086 {20.HA3 25.HA}   3.622  0.032  0.046    4518.619    446.493  0  0
   728 {25.HB2}   2.041  0.013  0.023 {25.HA}   3.620  0.025  0.039      60.589     12.358  0  0
   729 {25.HB3}   1.293  0.023  0.029 {25.HA}   3.620  0.018  0.025      22.524      5.008  0  0
   730 {25.HG}   0.956  0.033  0.062 {25.HA}   3.620  0.029  0.050     265.665     23.280  0  0
   731 {?}   0.698  0.015  0.022 {?}   3.620  0.028  0.041      42.166      8.271  0  0
   732 {?}   4.009  0.015  0.005 {?}   3.573  0.045  0.064      15.055      1.698  0  0
   733 {?}   3.706  0.021  0.004 {?}   3.563  0.045  0.015       4.223      1.568  0  0
   734 {?}   3.564  0.030  0.054 {?}   3.563  0.030  0.055     188.862     17.357  0  0
   735 {?}   3.531  0.031  0.055 {?}   3.530  0.033  0.069     227.611     17.579  0  0
   736 {?}   4.671  0.019  0.003 {?}   3.507  0.009  0.003       1.543      1.543  0  0
   737 {?}   4.193  0.012  0.019 {?}   3.479  0.036  0.048      33.799      5.522  0  0
   738 {?}   3.562  0.021  0.028 {?}   3.479  0.045  0.064      31.730      1.966  0  0
   739 {?}   3.475  0.029  0.112 {?}   3.471  0.041  0.064    7281.913    520.624  0  0
   740 {?}   1.773  0.031  0.033 {?}   3.472  0.036  0.038      38.798      3.277  0  0
   741 {?}   1.901  0.022  0.024 {?}   3.455  0.030  0.032      33.469      3.405  0  0
   742 {?}   3.912  0.017  0.045 {?}   3.451  0.030  0.043     313.495     46.466  0  0
   743 {?}   3.889  0.013  0.019 {?}   3.447  0.040  0.114      56.616      9.453  0  0
   744 {?}   3.448  0.028  0.072 {?}   3.447  0.032  0.046    5094.135    489.081  0  0
   745 {?}   9.397  0.009  0.021 {?}   3.372  0.030  0.030      11.134      2.813  0  0
   746 {?}   9.374  0.016  0.035 {?}   3.364  0.031  0.054      74.554     13.211  0  0
   747 {?}   8.293  0.015  0.033 {?}   3.366  0.032  0.065     239.488     42.537  0  0
   748 {?}   4.509  0.016  0.031 {?}   3.365  0.031  0.053      59.011      9.701  0  0
   749 {?}   4.107  0.022  0.005 {?}   3.366  0.024  0.004       2.998      1.537  0  0
   750 {?}   4.009  0.016  0.018 {?}   3.366  0.038  0.043      23.877      3.309  0  0
   751 {?}   3.370  0.030  0.072 {?}   3.366  0.031  0.044    1947.922    175.442  0  0
   752 {?}   2.421  0.030  0.062 {?}   3.365  0.033  0.070     494.271     42.259  0  0
   753 {?}   2.059  0.010  0.023 {?}   3.366  0.020  0.038      76.590     22.370  0  0
   754 {?}   3.888  0.015  0.002 {?}   3.339  0.122  0.009       1.465      1.465  0  0
   755 {12.H}   8.633  0.016  0.031 {11.HB2}   3.304  0.032  0.052      60.684     10.331  0  0
   756 {11.H}   7.685  0.017  0.020 {11.HB2}   3.304  0.029  0.036      23.834      4.079  0  0
   757 {11.HA}   5.045  0.020  0.041 {11.HB2}   3.304  0.031  0.058     224.848     32.539  0  0
   758 {12.HA}   4.296  0.023  0.024 {11.HB2}   3.304  0.028  0.030      23.495      3.070  0  0
   759 {11.HB2}   3.315  0.014  0.019 {11.HB2}   3.303  0.032  0.065     802.025    126.507  0  0
   760 {11.HB3}   3.124  0.022  0.036 {11.HB2}   3.304  0.030  0.056     748.658     82.903  0  0
   761 {?}   3.913  0.021  0.017 {?}   3.269  0.063  0.090      43.957      2.403  0  0
   762 {28.H}   9.233  0.021  0.023 {27.HB2}   3.218  0.024  0.028      24.396      3.389  0  0
   763 {?}   9.109  0.017  0.028 {?}   3.218  0.028  0.045      46.084      7.274  0  0
   764 {27.H}   8.446  0.016  0.033 {27.HB2}   3.217  0.025  0.050     146.981     24.924  0  0
   765 {9.H}   8.289  0.016  0.021 {27.HB2}   3.217  0.021  0.035      41.779      7.373  0  0
   766 {24.H}   8.116  0.019  0.030 {24.HD2}   3.221  0.028  0.042      48.527      7.119  0  0
   767 {?}   7.412  0.011  0.004 {?}   3.219  0.015  0.005       3.084      1.715  0  0
   768 {26.HA}   5.140  0.024  0.014 {27.HB2}   3.218  0.018  0.008       6.669      1.828  0  0
   769 {22.HA}   4.399  0.018  0.018 {24.HD2}   3.220  0.019  0.019      11.722      2.820  0  0
   770 {5.HA}   4.321  0.019  0.027 {27.HB2}   3.217  0.021  0.034      52.892      7.440  0  0
   771 {8.HA}   3.768  0.021  0.018 {27.HB2}   3.218  0.029  0.024      18.488      2.421  0  0
   772 {?}   3.362  0.032  0.025 {?}   3.224  0.045  0.064      57.668      2.656  0  0
   773 {?}   3.298  0.023  0.032 {?}   3.221  0.036  0.060      93.090      9.848  0  0
   774 {24.HD2 27.HB2}   3.221  0.022  0.047 {24.HD2 27.HB2}   3.218  0.026  0.055    2167.936    269.226  0  0
   775 {27.HB3}   3.117  0.023  0.032 {27.HB2}   3.218  0.019  0.038     275.353     43.179  0  0
   776 {27.HB3}   3.102  0.014  0.019 {27.HB2}   3.218  0.017  0.034     149.654     42.409  0  0
   777 {23.HB2}   2.758  0.016  0.038 {24.HD2}   3.220  0.029  0.049      83.363     13.912  0  0
   778 {27.HA}   4.790  0.014  0.013 {27.HB2}   3.216  0.032  0.031      17.571      2.779  0  0
   779 {21.HG2 22.HB}   1.865  0.021  0.016 {27.HB2 24.HD2}   3.217  0.014  0.009       7.048      2.129  0  0
   780 {25.H}   7.996  0.014  0.013 {24.HD2}   3.188  0.032  0.031      15.538      2.719  0  0
   781 {24.HH11}   7.171  0.010  0.007 {24.HD2}   3.187  0.029  0.022       6.418      2.155  0  0
   782 {7.HA}   4.741  0.036  0.019 {7.HB2}   3.190  0.046  0.018      20.571      1.800  0  0
   783 {24.HA}   4.433  0.022  0.036 {24.HD2}   3.188  0.032  0.050      91.662     10.786  0  0
   784 {7.HB2 24.HD2 27.HB2}   3.192  0.031  0.061 {7.HB2 24.HD2 27.HB2}   3.188  0.034  0.070    4407.433    335.797  0  0
   785 {24.HD3}   3.022  0.018  0.033 {24.HD2}   3.187  0.030  0.056     458.525     67.271  0  0
   786 {24.HB3}   1.475  0.023  0.032 {24.HD2}   3.187  0.021  0.030      48.214      7.958  0  0
   787 {24.HG2}   1.366  0.019  0.027 {24.HD2}   3.188  0.024  0.034      46.335      7.170  0  0
   788 {8.H}   9.109  0.016  0.020 {7.HB2}   3.159  0.023  0.030      21.727      3.672  0  0
   789 {?}   8.264  0.017  0.037 {?}   3.158  0.020  0.044     293.194     51.912  0  0
   790 {?}   7.412  0.012  0.023 {?}   3.159  0.021  0.041      52.777     14.732  0  0
   791 {?}   4.323  0.021  0.038 {?}   3.159  0.020  0.043     132.247     19.026  0  0
   792 {?}   4.110  0.027  0.031 {?}   3.159  0.018  0.022      28.868      3.737  0  0
   793 {?}   3.099  0.015  0.041 {?}   3.160  0.015  0.032     159.135     64.248  0  0
   794 {?}   7.505  0.015  0.029 {?}   3.157  0.018  0.047      60.865     16.278  0  0
   795 {?}   7.136  0.016  0.016 {?}   3.148  0.020  0.020      10.657      2.929  0  0
   796 {7.HB2 11.HB3}   3.157  0.033  0.110 {7.HB2 11.HB3}   3.156  0.029  0.063    2621.820    196.718  0  0
   797 {7.HB3}   2.858  0.017  0.021 {7.HB2}   3.149  0.023  0.032      28.398      4.952  0  0
   798 {19.H 26.H}   7.945  0.014  0.013 {27.HB3 11.HB3}   3.141  0.036  0.034      17.281      2.583  0  0
   799 {12.H 12.H}   8.633  0.015  0.022 {11.HB3 15.HD2}   3.129  0.028  0.038      28.214      5.198  0  0
   800 {11.H 11.H}   7.685  0.017  0.024 {11.HB3 15.HD2}   3.128  0.029  0.040      40.632      6.339  0  0
   801 {26.HA}   5.140  0.025  0.015 {11.HB3}   3.123  0.017  0.009       6.994      1.896  0  0
   802 {11.HA 11.HA}   5.045  0.020  0.041 {11.HB3 15.HD2}   3.127  0.031  0.055     253.343     35.873  0  0
   803 {11.HB2}   3.315  0.014  0.019 {11.HB3}   3.127  0.034  0.057     635.799    100.358  0  0
   804 {7.HB3}   2.903  0.010  0.018 {7.HB2}   3.126  0.023  0.038      28.870      8.318  0  0
   805 {4.HA 28.HA}   4.921  0.016  0.019 {7.HB2 27.HB3}   3.122  0.025  0.032      20.998      3.456  0  0
   806 {28.H}   9.233  0.017  0.022 {27.HB3}   3.108  0.031  0.041      30.313      4.842  0  0
   807 {?}   9.109  0.013  0.020 {?}   3.106  0.037  0.058      41.604      6.167  0  0
   808 {27.H}   8.446  0.015  0.027 {27.HB3}   3.110  0.030  0.063      89.419     15.140  0  0
   809 {?}   7.412  0.011  0.021 {?}   3.101  0.030  0.064      74.922     13.787  0  0
   810 {15.HH11}   6.938  0.017  0.021 {15.HD2}   3.105  0.029  0.037      24.864      4.443  0  0
   811 {27.HA}   4.790  0.016  0.023 {27.HB3}   3.105  0.035  0.041      25.525      3.835  0  0
   812 {?}   4.110  0.021  0.019 {?}   3.099  0.024  0.020      15.086      2.487  0  0
   813 {27.HB2}   3.220  0.034  0.071 {27.HB3}   3.108  0.035  0.050    1229.173     92.062  0  0
   814 {?}   3.158  0.034  0.045 {?}   3.100  0.034  0.064    1990.529    133.454  0  0
   815 {4.HB2 11.HB3 15.HD2 27.HB3}   3.108  0.027  0.062 {4.HB2 11.HB3 15.HD2 27.HB3}   3.105  0.030  0.066    9381.929    946.479  0  0
   816 {15.HD3}   2.943  0.027  0.064 {15.HD2}   3.105  0.027  0.049     700.677     76.030  0  0
   817 {9.HB2 9.HB2 21.HB3}   2.119  0.014  0.017 {4.HB2 15.HD2 27.HB3}   3.107  0.015  0.019       9.562      3.920  0  0
   818 {9.HB2 9.HB2}   2.059  0.008  0.013 {4.HB2 15.HD2}   3.105  0.016  0.024       6.573      6.573  0  0
   819 {21.HG2}   1.864  0.015  0.022 {27.HB3}   3.107  0.025  0.037      38.820      6.733  0  0
   820 {15.HB3 15.HG2}   1.521  0.017  0.028 {15.HD2 15.HD2}   3.104  0.015  0.025      26.927      9.048  0  0
   821 {15.HB3 15.HG2}   1.483  0.024  0.038 {15.HD2 15.HD2}   3.105  0.022  0.035      86.729     13.120  0  0
   822 {9.HE21}   7.505  0.015  0.032 {15.HD2}   3.098  0.036  0.076     225.820     32.274  0  0
   823 {18.H}   9.374  0.011  0.013 {4.HB2}   3.066  0.021  0.026      12.562      3.595  0  0
   824 {5.H}   9.155  0.013  0.022 {4.HB2}   3.066  0.024  0.036      38.475      6.526  0  0
   825 {4.HA}   4.887  0.018  0.032 {4.HB2}   3.065  0.025  0.047     109.009     16.497  0  0
   826 {?}   4.501  0.020  0.021 {?}   3.066  0.021  0.023      23.328      3.265  0  0
   827 {13.HA}   4.010  0.013  0.020 {12.HB2}   3.065  0.022  0.035      21.033      5.668  0  0
   828 {13.HB2}   3.913  0.016  0.005 {12.HB2}   3.074  0.075  0.027       9.420      1.683  0  0
   829 {13.HB2}   3.885  0.020  0.021 {12.HB2}   3.064  0.024  0.026      22.917      3.101  0  0
   830 {?}   3.703  0.010  0.022 {?}   3.069  0.029  0.047      64.319     17.940  0  0
   831 {?}   3.361  0.022  0.016 {?}   3.068  0.031  0.043      20.211      2.072  0  0
   832 {4.HB3}   2.893  0.021  0.030 {4.HB2}   3.064  0.023  0.044     154.023     22.359  0  0
   833 {4.HB3}   2.875  0.010  0.025 {4.HB2}   3.066  0.026  0.047     150.050     39.729  0  0
   834 {12.H}   8.635  0.014  0.016 {12.HB2}   3.063  0.025  0.033      19.044      3.576  0  0
   835 {13.H}   8.274  0.017  0.050 {12.HB2}   3.063  0.036  0.139     754.042    100.999  0  0
   836 {14.H}   8.220  0.018  0.025 {12.HB2}   3.064  0.021  0.040      48.700      7.090  0  0
   837 {4.H}   7.792  0.013  0.024 {4.HB2}   3.053  0.034  0.057      78.948     12.400  0  0
   838 {?}   4.705  0.020  0.030 {?}   3.060  0.035  0.056      89.886     11.647  0  0
   839 {12.HA}   4.311  0.016  0.038 {12.HB2}   3.062  0.028  0.041     822.318    141.300  0  0
   840 {13.HB3}   3.831  0.023  0.024 {12.HB2}   3.064  0.025  0.034      26.658      3.390  0  0
   841 {3.HB2 4.HB2 12.HB2 24.HD3}   3.064  0.025  0.037 {3.HB2 4.HB2 12.HB2 24.HD3}   3.061  0.035  0.076    7976.121    788.961  0  0
   842 {?}   7.107  0.017  0.030 {?}   3.045  0.027  0.046     108.722     17.951  0  0
   843 {3.HB3}   2.935  0.025  0.044 {3.HB2}   3.045  0.030  0.056     710.805     81.602  0  0
   844 {3.HB2 12.HB2 24.HD3}   3.039  0.031  0.045 {3.HB2 12.HB2 24.HD3}   3.034  0.047  0.090    6690.506    350.091  0  0
   845 {24.HH11}   7.178  0.014  0.019 {24.HD3}   3.025  0.024  0.032      23.348      4.963  0  0
   846 {24.HA}   4.433  0.021  0.028 {24.HD3}   3.026  0.020  0.028      30.520      4.852  0  0
   847 {24.HD2}   3.196  0.027  0.149 {24.HD3}   3.025  0.036  0.055    1118.331     90.853  0  0
   848 {24.HB2}   1.612  0.009  0.002 {24.HD3}   3.023  0.009  0.002       3.077      1.584  0  0
   849 {24.HB3}   1.474  0.026  0.037 {24.HD3}   3.025  0.019  0.032      65.954     10.487  0  0
   850 {24.HG2}   1.365  0.017  0.001 {24.HD3}   3.022  0.013  0.000       2.898      1.452  0  0
   851 {?}   4.010  0.009  0.009 {?}   2.996  0.022  0.023       9.001      2.926  0  0
   852 {24.HD2}   3.156  0.023  0.032 {24.HD3}   3.000  0.045  0.064     172.913     10.492  0  0
   853 {24.HD3}   3.000  0.022  0.031 {24.HD3}   2.997  0.023  0.048   19034.357   2836.074  0  0
   854 {24.HB2}   1.632  0.024  0.012 {24.HD3}   2.999  0.009  0.003       4.632      1.706  0  0
   855 {24.HG2}   1.394  0.017  0.005 {24.HD3}   2.998  0.007  0.002       3.217      1.627  0  0
   856 {?}   1.681  0.014  0.009 {?}   2.993  0.004  0.002       4.872      2.060  0  0
   857 {5.HE21}   8.281  0.017  0.034 {19.HG2}   2.936  0.023  0.046     104.547     17.205  0  0
   858 {4.H 16.H}   7.793  0.013  0.022 {3.HB3 15.HD3}   2.938  0.023  0.038      41.066      7.330  0  0
   859 {?}   7.107  0.017  0.030 {?}   2.936  0.021  0.043     115.248     19.836  0  0
   860 {15.HH11}   6.934  0.009  0.012 {15.HD3}   2.945  0.029  0.039      14.582      3.948  0  0
   861 {11.HA}   5.042  0.018  0.021 {15.HD3}   2.938  0.025  0.029      23.081      3.336  0  0
   862 {?}   4.730  0.015  0.009 {?}   2.937  0.035  0.022      12.525      1.927  0  0
   863 {?}   3.314  0.014  0.019 {?}   2.940  0.045  0.064      42.355      3.462  0  0
   864 {15.HD2}   3.111  0.028  0.084 {15.HD3}   2.942  0.039  0.064    1777.060    138.822  0  0
   865 {3.HB2}   3.053  0.025  0.065 {3.HB3}   2.936  0.026  0.082    1234.660    119.669  0  0
   866 {3.HB3 15.HD3 19.HG2}   2.942  0.032  0.070 {3.HB3 15.HD3 19.HG2}   2.938  0.028  0.057    4090.719    368.430  0  0
   867 {15.HB3 15.HG2}   1.481  0.026  0.035 {15.HD3 15.HD3}   2.943  0.021  0.033      63.273      9.054  0  0
   868 {15.HG3}   1.292  0.023  0.027 {15.HD3}   2.943  0.014  0.019      14.410      4.051  0  0
   869 {?}   9.374  0.015  0.031 {?}   2.933  0.029  0.056      64.501     11.874  0  0
   870 {17.H}   9.038  0.017  0.022 {15.HD3}   2.932  0.026  0.036      24.313      4.164  0  0
   871 {9.HE21 21.H}   7.496  0.018  0.015 {15.HD3 19.HG2}   2.934  0.019  0.013       7.675      2.211  0  0
   872 {17.HA}   4.865  0.028  0.034 {15.HD3}   2.934  0.027  0.039      43.848      4.471  0  0
   873 {?}   2.456  0.030  0.052 {?}   2.934  0.032  0.066     235.867     23.055  0  0
   874 {9.HB2}   2.119  0.021  0.038 {15.HD3}   2.934  0.020  0.043     150.558     21.444  0  0
   875 {9.HB2}   2.059  0.006  0.008 {15.HD3}   2.935  0.006  0.007       4.180      4.180  0  0
   876 {?}   1.864  0.017  0.024 {?}   2.934  0.020  0.033      46.303      6.786  0  0
   877 {18.H}   9.398  0.018  0.015 {4.HB3}   2.910  0.038  0.032      17.525      2.424  0  0
   878 {4.HA 4.HA 19.HA}   4.921  0.018  0.021 {4.HB3 7.HB3 19.HG2}   2.908  0.038  0.045      28.455      3.716  0  0
   879 {18.H}   9.374  0.015  0.031 {4.HB3}   2.882  0.036  0.064      78.841     12.191  0  0
   880 {5.H}   9.155  0.015  0.033 {4.HB3}   2.881  0.032  0.050      79.959     12.783  0  0
   881 {5.HE21 9.H 9.H 10.H}   8.291  0.024  0.027 {19.HG2 7.HB3 26.HB2 26.HB2}   2.882  0.036  0.042      36.264      3.579  0  0
   882 {4.H}   7.793  0.014  0.022 {4.HB3}   2.882  0.036  0.059      42.173      6.324  0  0
   883 {4.HA 4.HA}   4.887  0.018  0.034 {4.HB3 7.HB3}   2.881  0.033  0.054     110.964     16.801  0  0
   884 {18.HA}   4.502  0.022  0.034 {4.HB3}   2.882  0.036  0.059      97.717      9.095  0  0
   885 {?}   3.362  0.008  0.017 {?}   2.882  0.034  0.032       6.554      2.687  0  0
   886 {4.HB2}   3.076  0.014  0.019 {4.HB3}   2.881  0.037  0.065     585.825     81.194  0  0
   887 {4.HB2}   3.061  0.023  0.032 {4.HB3}   2.882  0.043  0.061    1071.331     90.569  0  0
   888 {4.HB3 7.HB3 26.HB2}   2.876  0.014  0.019 {4.HB3 7.HB3 26.HB2}   2.878  0.028  0.053     498.457     72.443  0  0
   889 {?}   7.136  0.017  0.021 {?}   2.866  0.021  0.029      26.055      4.620  0  0
   890 {7.HB2}   3.160  0.023  0.032 {7.HB3}   2.868  0.040  0.075     259.093     21.561  0  0
   891 {7.HB2}   3.143  0.021  0.029 {7.HB3}   2.868  0.046  0.063     256.581     19.273  0  0
   892 {19.H 26.H}   7.944  0.014  0.003 {4.HB3 26.HB2}   2.861  0.032  0.009       5.791      1.633  0  0
   893 {8.H 8.H}   9.108  0.013  0.007 {7.HB3 26.HB2}   2.840  0.023  0.013       7.555      1.978  0  0
   894 {27.H}   8.446  0.016  0.031 {26.HB2}   2.838  0.031  0.061     123.261     22.053  0  0
   895 {26.H}   7.970  0.020  0.029 {26.HB2}   2.838  0.026  0.041      45.849      6.749  0  0
   896 {11.H}   7.684  0.016  0.015 {26.HB2}   2.838  0.025  0.024      15.661      2.785  0  0
   897 {?}   7.390  0.018  0.031 {?}   2.838  0.030  0.055     119.414     18.857  0  0
   898 {?}   6.911  0.009  0.012 {?}   2.839  0.028  0.036      13.868      3.810  0  0
   899 {26.HA}   5.139  0.023  0.046 {26.HB2}   2.838  0.032  0.064     292.799     33.744  0  0
   900 {10.HA}   4.401  0.014  0.024 {26.HB2}   2.837  0.030  0.045      55.068     10.017  0  0
   901 {8.HA}   3.767  0.024  0.043 {26.HB2}   2.838  0.032  0.061     175.398     18.512  0  0
   902 {26.HB3}   2.540  0.016  0.026 {26.HB2}   2.837  0.029  0.046      63.070     10.542  0  0
   903 {?}   1.547  0.006  0.008 {?}   2.833  0.004  0.005       3.954      3.954  0  0
   904 {26.HB2}   2.829  0.027  0.079 {26.HB2}   2.825  0.033  0.051    4353.497    433.477  0  0
   905 {8.HB2}   1.263  0.019  0.023 {26.HB2}   2.823  0.016  0.021      14.423      4.508  0  0
   906 {?}  10.142  0.011  0.022 {?}   2.739  0.025  0.045      38.187     10.550  0  0
   907 {24.H}   8.116  0.018  0.029 {23.HB2}   2.747  0.023  0.044      46.833      6.740  0  0
   908 {?}   7.970  0.021  0.030 {?}   2.740  0.027  0.038      37.265      5.503  0  0
   909 {?}   7.390  0.018  0.032 {?}   2.740  0.027  0.044      59.688      9.773  0  0
   910 {?}   7.360  0.017  0.023 {?}   2.739  0.022  0.034      35.139      5.872  0  0
   911 {?}   5.140  0.023  0.007 {?}   2.745  0.017  0.008       4.226      1.576  0  0
   912 {22.HA}   4.399  0.018  0.020 {23.HB2}   2.741  0.030  0.033      21.134      3.258  0  0
   913 {?}   4.311  0.015  0.014 {?}   2.742  0.034  0.067      16.716      2.642  0  0
   914 {?}   3.315  0.014  0.019 {?}   2.741  0.042  0.066      43.449      5.547  0  0
   915 {?}   3.223  0.028  0.103 {?}   2.741  0.034  0.056    1530.811    140.248  0  0
   916 {23.HB2}   2.744  0.022  0.059 {23.HB2}   2.740  0.027  0.049    1164.247    163.638  0  0
   917 {?}   1.617  0.022  0.030 {?}   2.739  0.011  0.017      28.020      7.128  0  0
   918 {?}   1.481  0.027  0.039 {?}   2.740  0.017  0.029      54.422     11.902  0  0
   919 {24.HG2}   1.392  0.028  0.038 {23.HB2}   2.740  0.012  0.018      25.334      5.464  0  0
   920 {24.HH11}   7.152  0.015  0.008 {23.HB2}   2.715  0.026  0.013       6.886      1.902  0  0
   921 {10.H}   8.311  0.014  0.017 {26.HB3}   2.575  0.025  0.032      20.515      4.062  0  0
   922 {5.H}   9.155  0.016  0.027 {19.HG3}   2.564  0.029  0.044      46.111      7.686  0  0
   923 {5.HE21}   8.267  0.012  0.029 {19.HG3}   2.564  0.025  0.044     108.677     19.818  0  0
   924 {?}   5.045  0.020  0.034 {?}   2.566  0.031  0.048      79.744     11.828  0  0
   925 {?}   4.326  0.023  0.031 {?}   2.564  0.026  0.034      43.665      4.757  0  0
   926 {?}   3.315  0.014  0.019 {?}   2.565  0.039  0.058      43.191      5.818  0  0
   927 {?}   3.118  0.042  0.084 {?}   2.565  0.051  0.116     267.688     11.851  0  0
   928 {19.HG3 26.HB3}   2.575  0.028  0.039 {19.HG3 26.HB3}   2.565  0.029  0.039      52.857      5.200  0  0
   929 {5.HB2}   1.976  0.012  0.049 {19.HG3}   2.566  0.026  0.041     108.852     18.513  0  0
   930 {5.HB2}   1.945  0.022  0.032 {19.HG3}   2.565  0.024  0.039     102.140     14.113  0  0
   931 {5.HB3}   1.818  0.029  0.061 {19.HG3}   2.565  0.029  0.050     663.673     63.795  0  0
   932 {25.HB3}   1.294  0.018  0.020 {26.HB3}   2.565  0.011  0.013      11.620      3.337  0  0
   933 {26.HE1}  10.142  0.012  0.010 {26.HB3}   2.537  0.015  0.027       4.667      2.379  0  0
   934 {8.H}   9.108  0.018  0.014 {26.HB3}   2.539  0.029  0.022      15.664      2.232  0  0
   935 {27.H}   8.446  0.016  0.034 {26.HB3}   2.540  0.028  0.049     153.287     26.978  0  0
   936 {26.H}   7.970  0.021  0.033 {26.HB3}   2.540  0.026  0.043      73.752     10.344  0  0
   937 {11.H}   7.685  0.016  0.013 {26.HB3}   2.541  0.038  0.032      14.725      2.337  0  0
   938 {?}   7.390  0.018  0.032 {?}   2.540  0.027  0.046     125.202     19.389  0  0
   939 {?}   6.911  0.011  0.014 {?}   2.540  0.028  0.034      14.684      3.921  0  0
   940 {26.HA}   5.139  0.023  0.045 {26.HB3}   2.540  0.028  0.049     244.889     28.151  0  0
   941 {10.HA}   4.401  0.014  0.023 {26.HB3}   2.540  0.028  0.041      38.474      6.841  0  0
   942 {8.HA}   3.767  0.025  0.043 {26.HB3}   2.540  0.028  0.047     146.163     15.311  0  0
   943 {26.HB2}   2.839  0.021  0.053 {26.HB3}   2.539  0.029  0.060     368.751     46.525  0  0
   944 {19.HG3 26.HB3}   2.542  0.027  0.045 {19.HG3 26.HB3}   2.540  0.027  0.047     163.889     16.219  0  0
   945 {?}   3.612  0.007  0.012 {?}   2.472  0.035  0.030       5.674      2.232  0  0
   946 {?}   3.593  0.009  0.015 {?}   2.468  0.037  0.025       7.935      1.956  0  0
   947 {17.H}   9.037  0.022  0.041 {17.HB2}   2.451  0.035  0.059      94.580      9.986  0  0
   948 {17.HA 17.HA}   4.870  0.015  0.016 {17.HB2 18.HB2}   2.450  0.042  0.043      25.795      2.988  0  0
   949 {?}   4.672  0.009  0.007 {?}   2.451  0.020  0.036       8.102      2.356  0  0
   950 {?}   4.399  0.019  0.004 {?}   2.452  0.025  0.004       1.542      1.542  0  0
   951 {16.HA}   4.297  0.030  0.030 {17.HB2}   2.453  0.028  0.029      31.946      2.985  0  0
   952 {11.HB2}   3.315  0.013  0.017 {17.HB2}   2.454  0.031  0.024      13.387      1.787  0  0
   953 {?}   2.942  0.029  0.064 {?}   2.451  0.037  0.073     785.339     62.317  0  0
   954 {17.HB2 18.HB2}   2.456  0.028  0.051 {17.HB2 18.HB2}   2.451  0.037  0.068     510.918     39.939  0  0
   955 {18.H}   9.397  0.023  0.032 {18.HB2}   2.421  0.038  0.065      66.565      5.192  0  0
   956 {18.H}   9.374  0.017  0.041 {18.HB2}   2.416  0.041  0.114     183.329     22.676  0  0
   957 {5.HE21}   8.294  0.015  0.026 {18.HB2}   2.417  0.028  0.048      79.732     14.621  0  0
   958 {18.HA}   4.511  0.017  0.026 {18.HB2}   2.414  0.038  0.053      39.730      5.538  0  0
   959 {?}   4.108  0.022  0.019 {?}   2.416  0.025  0.021      16.882      2.464  0  0
   960 {?}   3.370  0.030  0.064 {?}   2.416  0.037  0.053    1501.539    103.749  0  0
   961 {4.HB3}   2.894  0.010  0.007 {18.HB2}   2.416  0.067  0.027       9.032      1.715  0  0
   962 {4.HB3}   2.875  0.008  0.007 {18.HB2}   2.413  0.072  0.061      10.804      1.907  0  0
   963 {18.HB2}   2.421  0.031  0.062 {18.HB2}   2.415  0.036  0.055     698.718     49.771  0  0
   964 {?}   2.059  0.008  0.017 {?}   2.418  0.013  0.025      23.287     23.287  0  0
   965 {?}  10.260  0.032  0.045 {?}   2.365  0.058  0.021      30.216      1.611  0  0
   966 {?}  10.143  0.104  0.149 {?}   2.365  0.024  0.039      79.485      1.920  0  0
   967 {?}   4.673  0.010  0.009 {?}   2.365  0.043  0.021       9.488      1.829  0  0
   968 {9.HE21 21.H}   7.494  0.022  0.036 {9.HG2 21.HB2}   2.330  0.028  0.044     105.608     12.461  0  0
   969 {11.HA 21.HA}   5.038  0.024  0.042 {9.HG2 21.HB2}   2.330  0.028  0.043      95.903     10.758  0  0
   970 {29.HA}   4.233  0.020  0.037 {21.HB2}   2.330  0.027  0.040      58.470      8.105  0  0
   971 {15.HD2}   3.103  0.021  0.058 {9.HG2}   2.327  0.048  0.090     107.596      7.467  0  0
   972 {15.HD3}   2.941  0.025  0.041 {9.HG2}   2.332  0.063  0.090     171.240      8.890  0  0
   973 {9.HB2 21.HB3}   2.118  0.009  0.042 {9.HG2 21.HB2}   2.330  0.027  0.046     337.653     84.978  0  0
   974 {21.HG2}   1.866  0.023  0.034 {21.HB2}   2.330  0.025  0.041     129.832     16.379  0  0
   975 {27.H 29.H}   8.447  0.010  0.026 {9.HG2 21.HB2}   2.325  0.040  0.050      27.605      3.648  0  0
   976 {27.H 29.H}   8.421  0.019  0.031 {9.HG2 21.HB2}   2.323  0.032  0.048      46.763      6.317  0  0
   977 {9.H 10.H}   8.324  0.017  0.031 {9.HG2 9.HG2}   2.323  0.034  0.056      77.362     10.933  0  0
   978 {9.H}   8.287  0.020  0.057 {9.HG2}   2.324  0.034  0.062     233.573     26.537  0  0
   979 {?}   7.412  0.011  0.009 {?}   2.322  0.034  0.029      13.235      2.514  0  0
   980 {9.HA}   4.523  0.016  0.019 {9.HG2}   2.325  0.037  0.047      27.055      3.935  0  0
   981 {5.HA}   4.323  0.024  0.027 {9.HG2}   2.325  0.030  0.035      34.190      3.462  0  0
   982 {?}   3.156  0.038  0.054 {?}   2.319  0.059  0.071      99.727      3.270  0  0
   983 {9.HG2 21.HB2}   2.326  0.035  0.077 {9.HG2 21.HB2}   2.320  0.034  0.055    4888.689    365.589  0  0
   984 {9.HG3}   2.208  0.012  0.014 {9.HG2}   2.324  0.005  0.007       9.820      4.630  0  0
   985 {9.HB2 21.HB3}   2.086  0.032  0.045 {9.HG2 21.HB2}   2.324  0.035  0.068     826.164     56.326  0  0
   986 {?}   1.988  0.013  0.019 {?}   2.319  0.018  0.029      31.908      9.782  0  0
   987 {29.HG3}   1.118  0.027  0.038 {21.HB2}   2.319  0.020  0.027      37.481      5.244  0  0
   988 {?}  10.240  0.077  0.110 {?}   2.284  0.031  0.007      23.992      1.548  0  0
   989 {?}  10.143  0.086  0.123 {?}   2.283  0.037  0.024      64.857      1.853  0  0
   990 {?}   8.294  0.014  0.023 {?}   2.248  0.013  0.045      24.886     11.137  0  0
   991 {?}   4.681  0.017  0.018 {?}   2.250  0.039  0.041      21.876      3.066  0  0
   992 {?}   4.259  0.017  0.003 {?}   2.247  0.039  0.009       3.004      1.589  0  0
   993 {?}   4.009  0.017  0.035 {?}   2.246  0.025  0.045     110.982     15.969  0  0
   994 {?}   3.650  0.011  0.005 {?}   2.247  0.037  0.020       9.878      1.920  0  0
   995 {?}   3.631  0.010  0.003 {?}   2.248  0.029  0.009       3.013      1.665  0  0
   996 {?}   3.371  0.025  0.036 {?}   2.248  0.063  0.090     126.922      5.932  0  0
   997 {?}   2.252  0.026  0.053 {?}   2.246  0.023  0.049    8445.537    888.677  0  0
   998 {?}   1.950  0.010  0.014 {?}   2.248  0.012  0.016       8.306      4.536  0  0
   999 {?}   1.932  0.009  0.012 {?}   2.242  0.015  0.020       4.766      4.766  0  0
  1000 {4.HB2 15.HD2 27.HB3}   3.108  0.017  0.036 {9.HG3 9.HG3 9.HG3}   2.221  0.045  0.064      37.020      2.701  0  0
  1001 {9.H 10.H}   8.325  0.016  0.030 {9.HG3 9.HG3}   2.198  0.030  0.047      55.062      8.916  0  0
  1002 {9.HE21}   7.528  0.012  0.037 {9.HG3}   2.199  0.032  0.059     175.100     28.198  0  0
  1003 {9.HA}   4.531  0.024  0.037 {9.HG3}   2.200  0.035  0.051      85.091      7.952  0  0
  1004 {27.HB2}   3.219  0.036  0.030 {9.HG3}   2.207  0.040  0.070      49.622      2.420  0  0
  1005 {9.HG2}   2.331  0.034  0.084 {9.HG3}   2.199  0.063  0.090     807.204     31.376  0  0
  1006 {9.HB2}   2.083  0.021  0.028 {9.HG3}   2.197  0.025  0.045     186.379     25.019  0  0
  1007 {27.H}   8.421  0.020  0.035 {9.HG3}   2.194  0.036  0.049      55.209      5.862  0  0
  1008 {9.H}   8.287  0.021  0.044 {9.HG3}   2.195  0.044  0.107     299.460     25.802  0  0
  1009 {9.HG3 14.HG2}   2.200  0.042  0.083 {9.HG3 14.HG2}   2.188  0.036  0.067    8370.917    435.487  0  0
  1010 {14.H}   8.220  0.019  0.025 {14.HG2}   2.180  0.021  0.029      31.006      5.245  0  0
  1011 {5.HA 14.HA}   4.344  0.020  0.026 {9.HG3 14.HG2}   2.180  0.020  0.026      27.347      4.575  0  0
  1012 {14.HA 14.HA}   4.369  0.014  0.031 {14.HG2 14.HG3}   2.153  0.024  0.044     131.832     25.079  0  0
  1013 {?}   3.450  0.011  0.024 {?}   2.152  0.025  0.024      11.571      2.767  0  0
  1014 {?}   1.744  0.023  0.038 {?}   2.151  0.015  0.029     112.064     30.617  0  0
  1015 {?}   4.729  0.018  0.011 {?}   2.147  0.025  0.014       8.954      1.953  0  0
  1016 {14.H}   8.220  0.019  0.027 {14.HG3}   2.128  0.019  0.031      30.728      6.492  0  0
  1017 {14.HA}   4.346  0.022  0.031 {14.HG3}   2.128  0.018  0.031      36.980      7.285  0  0
  1018 {?}   2.419  0.014  0.019 {?}   2.119  0.039  0.017      12.934      1.870  0  0
  1019 {9.HB2 14.HG3 21.HB3}   2.125  0.035  0.072 {9.HB2 14.HG3 21.HB3}   2.120  0.036  0.059    7436.474    446.783  0  0
  1020 {18.H}   9.374  0.012  0.002 {9.HB2}   2.115  0.011  0.002       1.543      1.542  0  0
  1021 {28.H}   9.233  0.018  0.016 {21.HB3}   2.111  0.022  0.018      14.001      2.389  0  0
  1022 {22.H}   9.044  0.021  0.031 {21.HB3}   2.112  0.030  0.049      62.385      7.111  0  0
  1023 {30.H}   8.071  0.016  0.021 {21.HB3}   2.112  0.022  0.032      24.690      4.685  0  0
  1024 {21.H}   7.494  0.022  0.047 {21.HB3}   2.113  0.031  0.062     267.347     30.515  0  0
  1025 {?}   7.412  0.010  0.012 {?}   2.113  0.021  0.025      11.528      3.378  0  0
  1026 {21.HA}   5.038  0.025  0.053 {21.HB3}   2.113  0.031  0.061     255.105     27.138  0  0
  1027 {29.HA}   4.231  0.022  0.043 {21.HB3}   2.113  0.031  0.058     223.193     24.382  0  0
  1028 {?}   3.221  0.027  0.045 {?}   2.112  0.042  0.066      93.221      6.783  0  0
  1029 {15.HD2 27.HB3}   3.116  0.023  0.032 {9.HB2 21.HB3}   2.113  0.036  0.067     113.137     11.523  0  0
  1030 {4.HB2 15.HD2 27.HB3}   3.102  0.014  0.019 {9.HB2 9.HB2 21.HB3}   2.114  0.035  0.069      82.167     11.658  0  0
  1031 {15.HD3}   2.941  0.024  0.051 {9.HB2}   2.113  0.034  0.069     248.637     22.965  0  0
  1032 {?}   2.455  0.036  0.056 {?}   2.113  0.038  0.062      97.883      6.181  0  0
  1033 {9.HG2 21.HB2}   2.337  0.034  0.123 {9.HB2 21.HB3}   2.111  0.043  0.074    1044.219     54.899  0  0
  1034 {21.HG2}   1.864  0.021  0.041 {21.HB3}   2.113  0.030  0.061     684.178     74.029  0  0
  1035 {27.H}   8.420  0.010  0.020 {9.HB2}   2.083  0.014  0.012       6.920      2.595  0  0
  1036 {9.HE21 21.H}   7.528  0.013  0.022 {9.HB2 21.HB3}   2.081  0.041  0.090      37.002      4.949  0  0
  1037 {9.H 10.H}   8.325  0.016  0.045 {9.HB2 9.HB2}   2.077  0.036  0.067     197.639     29.863  0  0
  1038 {9.HA}   4.527  0.027  0.044 {9.HB2}   2.079  0.026  0.046      78.546      7.799  0  0
  1039 {18.H}   9.397  0.007  0.020 {9.HB2}   2.059  0.016  0.020       3.620      3.620  0  0
  1040 {?}   9.374  0.015  0.033 {?}   2.053  0.025  0.048     109.518     22.310  0  0
  1041 {?}   7.495  0.021  0.030 {?}   2.055  0.034  0.064      69.271      8.399  0  0
  1042 {7.HA}   4.731  0.010  0.008 {6.HB2}   2.050  0.030  0.027       7.789      2.362  0  0
  1043 {6.HA}   4.111  0.028  0.049 {6.HB2}   2.047  0.026  0.042     421.991     41.426  0  0
  1044 {?}   3.370  0.024  0.045 {?}   2.054  0.026  0.050     184.454     20.004  0  0
  1045 {?}   3.220  0.026  0.043 {?}   2.055  0.037  0.090      81.794      6.778  0  0
  1046 {7.HB2}   3.157  0.016  0.026 {6.HB2}   2.046  0.028  0.042      49.027      7.597  0  0
  1047 {?}   3.102  0.031  0.068 {?}   2.050  0.036  0.090     207.772     15.018  0  0
  1048 {15.HD3}   2.941  0.022  0.038 {9.HB2}   2.055  0.035  0.064     127.839     12.010  0  0
  1049 {?}   2.421  0.033  0.063 {?}   2.053  0.022  0.032     154.563     15.600  0  0
  1050 {14.HG3}   2.121  0.049  0.058 {14.HB3}   2.055  0.045  0.064    2470.877     85.874  0  0
  1051 {6.HB2 14.HB3 25.HB2}   2.059  0.010  0.015 {6.HB2 14.HB3 25.HB2}   2.053  0.022  0.031    8314.868   2338.383  0  0
  1052 {6.H}   8.421  0.019  0.036 {6.HB2}   2.035  0.027  0.050      68.063      9.998  0  0
  1053 {?}   8.265  0.018  0.037 {?}   2.037  0.038  0.071     432.408     56.466  0  0
  1054 {?}   7.390  0.017  0.031 {?}   2.034  0.023  0.043     130.953     20.882  0  0
  1055 {?}   7.067  0.016  0.017 {?}   2.034  0.015  0.015       7.019      2.855  0  0
  1056 {25.HA}   3.624  0.029  0.046 {25.HB2}   2.035  0.024  0.043     172.281     16.037  0  0
  1057 {6.HG2}   1.522  0.020  0.031 {6.HB2}   2.034  0.012  0.024     140.399     39.983  0  0
  1058 {6.HG3}   1.401  0.015  0.017 {6.HB2}   2.034  0.006  0.008       9.131      3.562  0  0
  1059 {25.HB3}   1.296  0.017  0.021 {25.HB2}   2.035  0.006  0.008      10.408      4.122  0  0
  1060 {25.HG}   0.956  0.033  0.069 {25.HB2}   2.034  0.024  0.046     909.207     83.953  0  0
  1061 {?}   0.738  0.005  0.006 {?}   2.034  0.007  0.008       3.300      3.300  0  0
  1062 {14.H}   8.220  0.020  0.034 {14.HB3}   2.026  0.029  0.045     116.475     16.502  0  0
  1063 {15.H}   8.157  0.020  0.032 {14.HB3}   2.026  0.026  0.036      52.245      7.853  0  0
  1064 {14.HA}   4.345  0.022  0.047 {14.HB3}   2.027  0.032  0.051     250.154     28.545  0  0
  1065 {?}   3.000  0.021  0.035 {?}   2.030  0.063  0.090     178.534      8.769  0  0
  1066 {14.HB2}   1.903  0.028  0.053 {14.HB3}   2.027  0.018  0.030     272.832     51.312  0  0
  1067 {?}   7.501  0.024  0.023 {?}   2.000  0.045  0.064      38.462      2.780  0  0
  1068 {14.HB3}   2.006  0.035  0.058 {14.HB3}   1.999  0.023  0.049    4908.411    404.651  0  0
  1069 {?}   2.339  0.019  0.035 {?}   1.997  0.063  0.090     424.610     23.697  0  0
  1070 {5.HE21}   8.293  0.017  0.045 {5.HB2}   1.963  0.022  0.045     291.148     45.623  0  0
  1071 {5.HE21}   8.267  0.006  0.024 {5.HB2}   1.963  0.045  0.064      57.623     13.034  0  0
  1072 {?}   4.010  0.019  0.040 {?}   1.963  0.020  0.040     191.434     28.053  0  0
  1073 {?}   3.371  0.025  0.033 {?}   1.965  0.024  0.082      56.029      4.955  0  0
  1074 {?}   1.914  0.019  0.027 {?}   1.965  0.006  0.011      79.580     24.966  0  0
  1075 {28.H}   9.233  0.019  0.030 {28.HB2}   1.952  0.022  0.038      65.535      9.349  0  0
  1076 {29.H}   8.457  0.017  0.037 {28.HB2}   1.953  0.025  0.044     129.725     19.375  0  0
  1077 {6.H 29.H}   8.421  0.018  0.031 {5.HB2 28.HB2}   1.959  0.061  0.085      98.170      7.048  0  0
  1078 {?}   7.412  0.009  0.010 {?}   1.951  0.025  0.028      11.052      3.103  0  0
  1079 {?}   5.045  0.019  0.013 {?}   1.955  0.038  0.028      13.482      1.992  0  0
  1080 {28.HA}   4.905  0.028  0.050 {28.HB2}   1.952  0.023  0.039     103.502     10.165  0  0
  1081 {5.HA}   4.329  0.027  0.047 {5.HB2}   1.956  0.053  0.086     340.880     18.225  0  0
  1082 {27.HB3}   3.119  0.023  0.032 {5.HB2}   1.952  0.068  0.106     131.809      6.961  0  0
  1083 {5.HB2 28.HB2}   1.965  0.039  0.124 {5.HB2 28.HB2}   1.959  0.037  0.067    8090.138    444.332  0  0
  1084 {5.HB3}   1.807  0.017  0.024 {5.HB2}   1.952  0.030  0.043      87.835     11.692  0  0
  1085 {28.HB3}   1.646  0.023  0.042 {28.HB2}   1.952  0.017  0.033     199.008     49.998  0  0
  1086 {18.H}   9.374  0.014  0.025 {5.HB2}   1.940  0.053  0.090      81.439      8.353  0  0
  1087 {5.H}   9.155  0.015  0.029 {5.HB2}   1.940  0.047  0.074     109.877     11.541  0  0
  1088 {?}   4.859  0.026  0.037 {?}   1.943  0.053  0.077     120.148      7.294  0  0
  1089 {?}   3.315  0.023  0.023 {?}   1.945  0.053  0.055      43.294      3.034  0  0
  1090 {27.HB2}   3.220  0.031  0.032 {5.HB2}   1.949  0.025  0.055      35.708      2.913  0  0
  1091 {19.HG2}   2.940  0.023  0.028 {5.HB2}   1.947  0.032  0.084      47.272      3.964  0  0
  1092 {?}   8.293  0.016  0.070 {?}   1.906  0.033  0.064     239.003     39.831  0  0
  1093 {?}   4.010  0.020  0.042 {?}   1.906  0.030  0.064     221.297     29.976  0  0
  1094 {?}   1.969  0.033  0.058 {?}   1.909  0.045  0.064    4071.836    200.415  0  0
  1095 {14.H}   8.220  0.020  0.037 {14.HB2}   1.901  0.037  0.067     311.833     32.347  0  0
  1096 {?}   8.157  0.020  0.035 {?}   1.901  0.034  0.058     110.017     11.714  0  0
  1097 {?}   4.735  0.018  0.001 {?}   1.897  0.036  0.001       1.441      1.441  0  0
  1098 {14.HA}   4.345  0.021  0.043 {14.HB2}   1.902  0.039  0.055     281.328     23.678  0  0
  1099 {?}   3.477  0.014  0.019 {?}   1.897  0.025  0.040      45.159      7.894  0  0
  1100 {?}   3.459  0.023  0.032 {?}   1.897  0.027  0.041      86.982      9.201  0  0
  1101 {14.HB2}   1.908  0.033  0.075 {14.HB2}   1.900  0.035  0.068   11109.407    821.553  0  0
  1102 {?}   1.765  0.014  0.024 {?}   1.896  0.014  0.027      65.144     25.965  0  0
  1103 {?}   3.000  0.022  0.032 {?}   1.881  0.045  0.064      85.864      5.520  0  0
  1104 {?}   0.957  0.032  0.015 {?}   1.869  0.041  0.015       9.560      1.707  0  0
  1105 {?}   9.374  0.016  0.017 {?}   1.862  0.041  0.059      27.857      3.174  0  0
  1106 {29.H}   8.446  0.016  0.003 {21.HG2}   1.862  0.030  0.007       1.590      1.590  0  0
  1107 {21.H}   7.494  0.021  0.034 {21.HG2}   1.859  0.027  0.046      73.243      9.766  0  0
  1108 {?}   7.412  0.012  0.001 {?}   1.860  0.018  0.002       1.499      1.498  0  0
  1109 {21.HA}   5.037  0.026  0.048 {21.HG2}   1.857  0.021  0.040     130.217     15.764  0  0
  1110 {29.HA}   4.232  0.020  0.026 {21.HG2}   1.859  0.019  0.026      30.701      4.462  0  0
  1111 {27.HB3}   3.155  0.021  0.030 {21.HG2}   1.860  0.062  0.028      21.888      1.747  0  0
  1112 {27.HB3}   3.117  0.023  0.032 {21.HG2}   1.858  0.029  0.061     116.596     12.867  0  0
  1113 {27.HB3}   3.102  0.014  0.019 {21.HG2}   1.859  0.029  0.060      85.327     13.386  0  0
  1114 {?}   2.941  0.024  0.042 {?}   1.858  0.030  0.060     106.853     10.175  0  0
  1115 {?}   2.455  0.020  0.042 {?}   1.858  0.034  0.032      32.691      2.706  0  0
  1116 {21.HB3}   2.120  0.027  0.106 {21.HG2}   1.858  0.041  0.082    1190.794     97.925  0  0
  1117 {28.H}   9.233  0.020  0.027 {21.HG2}   1.857  0.036  0.050      48.322      4.984  0  0
  1118 {?}   3.220  0.026  0.048 {?}   1.855  0.051  0.071     135.298      8.336  0  0
  1119 {22.HA}   4.400  0.020  0.036 {22.HB}   1.834  0.019  0.040     208.713     30.861  0  0
  1120 {22.H}   9.042  0.020  0.033 {22.HB}   1.830  0.060  0.105     186.647     11.992  0  0
  1121 {5.HA 16.HA}   4.297  0.028  0.058 {5.HB3 16.HB2}   1.823  0.024  0.044     228.640     21.788  0  0
  1122 {?}   3.444  0.029  0.042 {?}   1.827  0.032  0.036      37.949      3.265  0  0
  1123 {5.HB3 16.HB2 21.HG2 22.HB}   1.838  0.030  0.087 {5.HB3 16.HB2 21.HG2 22.HB}   1.829  0.035  0.062    7599.785    600.884  0  0
  1124 {16.HB3}   1.661  0.022  0.034 {16.HB2}   1.824  0.012  0.023     140.347     40.109  0  0
  1125 {?}   0.756  0.009  0.017 {?}   1.832  0.022  0.044      52.186     16.135  0  0
  1126 {5.H}   9.155  0.016  0.039 {5.HB3}   1.811  0.027  0.047      89.024     13.956  0  0
  1127 {5.HE21}   8.268  0.015  0.030 {5.HB3}   1.812  0.029  0.050      68.395     11.078  0  0
  1128 {16.H}   7.810  0.016  0.034 {16.HB2}   1.820  0.033  0.057     100.563     15.911  0  0
  1129 {4.HA 17.HA 17.HA}   4.887  0.019  0.017 {5.HB3 5.HB3 16.HB2}   1.812  0.029  0.025      16.579      2.452  0  0
  1130 {?}   4.727  0.012  0.004 {?}   1.817  0.034  0.014       7.327      1.752  0  0
  1131 {5.HA 16.HA}   4.330  0.023  0.032 {5.HB3 16.HB2}   1.812  0.041  0.090     130.695      8.716  0  0
  1132 {?}   2.999  0.021  0.032 {?}   1.818  0.081  0.116     144.518      6.036  0  0
  1133 {19.HG3}   2.574  0.018  0.023 {5.HB3}   1.810  0.024  0.031      27.743      3.873  0  0
  1134 {18.H}   9.374  0.015  0.018 {5.HB3}   1.808  0.063  0.090      44.669      3.475  0  0
  1135 {4.HA 17.HA 17.HA}   4.859  0.013  0.021 {5.HB3 5.HB3 16.HB2}   1.809  0.069  0.039      19.431      2.068  0  0
  1136 {?}   3.314  0.014  0.019 {?}   1.807  0.051  0.049      26.899      2.784  0  0
  1137 {?}   3.471  0.022  0.032 {?}   1.764  0.028  0.046      72.582      7.916  0  0
  1138 {?}   3.447  0.022  0.032 {?}   1.765  0.023  0.041      44.937      6.319  0  0
  1139 {?}   1.908  0.027  0.082 {?}   1.765  0.052  0.090    1724.467     97.477  0  0
  1140 {?}   3.912  0.020  0.011 {?}   1.760  0.026  0.036      12.714      1.806  0  0
  1141 {?}   1.771  0.034  0.069 {?}   1.760  0.044  0.067    4214.405    233.218  0  0
  1142 {?}   4.339  0.029  0.042 {?}   1.749  0.045  0.064      74.670      3.381  0  0
  1143 {31.H}   8.286  0.021  0.034 {29.HB2}   1.737  0.063  0.090     135.562      6.795  0  0
  1144 {?}   7.790  0.010  0.004 {?}   1.731  0.036  0.014       5.519      1.747  0  0
  1145 {?}   4.370  0.019  0.043 {?}   1.732  0.029  0.047      52.880      7.894  0  0
  1146 {29.H}   8.458  0.017  0.032 {29.HB2}   1.722  0.029  0.044      81.128     13.238  0  0
  1147 {29.HA}   4.231  0.023  0.045 {29.HB2}   1.722  0.034  0.052     242.590     25.811  0  0
  1148 {29.HB2}   1.735  0.028  0.051 {29.HB2}   1.727  0.035  0.070    5677.011    456.814  0  0
  1149 {29.HB3}   1.577  0.012  0.019 {29.HB2}   1.724  0.011  0.021      69.775     28.568  0  0
  1150 {29.HG3 30.HG3}   1.115  0.026  0.053 {29.HB2 30.HB2}   1.722  0.024  0.035     130.354     15.355  0  0
  1151 {?}   9.374  0.039  0.014 {?}   1.706  0.025  0.039      13.342      1.902  0  0
  1152 {5.H}   9.154  0.023  0.015 {6.HB3}   1.709  0.025  0.044      17.159      2.113  0  0
  1153 {?}   3.221  0.024  0.016 {?}   1.710  0.045  0.064      29.487      1.993  0  0
  1154 {30.H}   8.071  0.017  0.033 {30.HB2}   1.686  0.038  0.100     146.046     21.794  0  0
  1155 {6.HA 30.HA}   4.122  0.019  0.038 {6.HB3 30.HB2}   1.683  0.023  0.042     157.051     22.745  0  0
  1156 {31.H}   8.288  0.010  0.029 {30.HB2}   1.671  0.045  0.064      53.616      5.975  0  0
  1157 {5.HE21 31.H}   8.265  0.009  0.028 {6.HB3 30.HB2}   1.681  0.025  0.044      33.274      8.252  0  0
  1158 {9.HE21}   7.502  0.016  0.014 {15.HB2}   1.672  0.043  0.036      18.938      2.414  0  0
  1159 {12.H}   8.633  0.012  0.017 {15.HB2}   1.660  0.028  0.038      28.437      5.099  0  0
  1160 {14.H}   8.220  0.016  0.018 {15.HB2}   1.659  0.040  0.047      27.755      3.539  0  0
  1161 {15.H}   8.157  0.022  0.040 {15.HB2}   1.660  0.029  0.048     173.718     19.753  0  0
  1162 {16.H 16.H}   7.810  0.015  0.037 {15.HB2 16.HB3}   1.660  0.027  0.048     218.777     34.913  0  0
  1163 {15.HH11}   6.941  0.010  0.005 {15.HB2}   1.660  0.024  0.011       5.191      1.842  0  0
  1164 {11.HA}   5.044  0.020  0.036 {15.HB2}   1.661  0.034  0.059     124.920     16.702  0  0
  1165 {7.HA}   4.732  0.030  0.028 {8.HG2}   1.668  0.034  0.030      28.816      2.545  0  0
  1166 {15.HA}   4.411  0.021  0.028 {15.HB2}   1.660  0.024  0.037      49.206      7.017  0  0
  1167 {16.HA}   4.300  0.029  0.051 {16.HB3}   1.660  0.028  0.047     170.212     16.114  0  0
  1168 {8.HA}   3.772  0.025  0.036 {8.HG2}   1.667  0.025  0.041      89.607      9.572  0  0
  1169 {15.HD2}   3.116  0.019  0.055 {15.HB2}   1.660  0.036  0.063      72.559      8.247  0  0
  1170 {15.HD3}   2.943  0.027  0.035 {15.HB2}   1.660  0.039  0.068      75.331      5.536  0  0
  1171 {16.HB2}   1.834  0.036  0.106 {16.HB3}   1.660  0.044  0.089    2228.400    124.376  0  0
  1172 {6.HB3 6.HD2 8.HG2 15.HB2 16.HB3 28.HB3 30.HB2}   1.674  0.041  0.085 {6.HB3 6.HD2 8.HG2 15.HB2 16.HB3 28.HB3 30.HB2}   1.663  0.040  0.067   16895.096    811.083  0  0
  1173 {6.HD3 6.HD3 8.HG3 16.HG2}   1.591  0.019  0.028 {6.HB3 6.HD2 8.HG2 16.HB3}   1.667  0.010  0.019     133.891     42.296  0  0
  1174 {15.HG3 28.HG2 30.HG2}   1.292  0.036  0.071 {15.HB2 28.HB3 30.HB2}   1.661  0.022  0.037     368.659     34.538  0  0
  1175 {8.HB2 30.HG2}   1.242  0.012  0.016 {8.HG2 30.HB2}   1.667  0.015  0.028      32.619     13.305  0  0
  1176 {17.H}   9.039  0.018  0.022 {15.HB2}   1.652  0.044  0.055      37.140      3.960  0  0
  1177 {?}   4.009  0.011  0.010 {?}   1.655  0.045  0.064      16.970      2.630  0  0
  1178 {11.HB2}   3.315  0.009  0.017 {15.HB2}   1.658  0.042  0.033      17.228      2.364  0  0
  1179 {28.H}   9.233  0.020  0.036 {28.HB3}   1.640  0.034  0.051     162.807     19.326  0  0
  1180 {29.H}   8.457  0.016  0.022 {28.HB3}   1.643  0.019  0.028      19.418      5.607  0  0
  1181 {28.HA}   4.906  0.028  0.039 {28.HB3}   1.640  0.035  0.043      56.152      5.046  0  0
  1182 {28.HB2}   1.961  0.039  0.084 {28.HB3}   1.641  0.042  0.076    1763.965     89.159  0  0
  1183 {?}   3.003  0.016  0.031 {?}   1.620  0.132  0.187     503.189     19.191  0  0
  1184 {24.H}   8.116  0.017  0.028 {24.HB2}   1.605  0.028  0.042      53.084      9.214  0  0
  1185 {25.H 26.H}   7.996  0.016  0.024 {24.HB2 24.HB2}   1.604  0.027  0.035      28.622      5.416  0  0
  1186 {25.H 26.H}   7.971  0.009  0.015 {24.HB2 24.HB2}   1.605  0.027  0.018       7.714      2.043  0  0
  1187 {24.HA}   4.433  0.020  0.038 {24.HB2}   1.604  0.029  0.045     118.460     17.022  0  0
  1188 {?}   4.010  0.012  0.007 {?}   1.609  0.036  0.040      11.816      2.013  0  0
  1189 {24.HD2}   3.195  0.039  0.049 {24.HB2}   1.604  0.029  0.037      64.329      4.780  0  0
  1190 {?}   2.742  0.015  0.018 {?}   1.608  0.031  0.039      22.279      3.858  0  0
  1191 {6.HD2 6.HD3 8.HG3 16.HG2 24.HB2 29.HB3}   1.615  0.038  0.070 {6.HD2 6.HD3 8.HG3 16.HG2 24.HB2 29.HB3}   1.605  0.038  0.070   12700.141    750.656  0  0
  1192 {24.HB3}   1.475  0.023  0.037 {24.HB2}   1.605  0.024  0.038     602.620     95.222  0  0
  1193 {6.HG3 6.HG3 16.HG3 24.HG2}   1.366  0.017  0.024 {6.HD2 6.HD3 16.HG2 24.HB2}   1.604  0.013  0.023      29.715     11.071  0  0
  1194 {8.H}   9.109  0.012  0.012 {8.HG3}   1.583  0.030  0.030      15.784      2.916  0  0
  1195 {31.H}   8.289  0.019  0.025 {31.HB2}   1.581  0.023  0.090      41.537      5.370  0  0
  1196 {30.H 30.H}   8.072  0.014  0.016 {29.HB3 31.HB2}   1.576  0.011  0.013       8.047      3.536  0  0
  1197 {?}   7.502  0.019  0.006 {?}   1.580  0.031  0.012       5.689      1.723  0  0
  1198 {8.HA}   3.769  0.022  0.046 {8.HG3}   1.583  0.036  0.060     256.645     24.596  0  0
  1199 {6.HB2}   2.059  0.015  0.045 {6.HD3}   1.577  0.045  0.064     304.825     28.818  0  0
  1200 {8.HB2 24.HG3 31.HB3}   1.240  0.011  0.015 {8.HG3 24.HB2 31.HB2}   1.584  0.014  0.024      21.099     10.051  0  0
  1201 {29.H}   8.458  0.018  0.043 {29.HB3}   1.572  0.036  0.065     254.209     34.488  0  0
  1202 {29.H}   8.421  0.017  0.032 {29.HB3}   1.570  0.027  0.042      65.801     10.200  0  0
  1203 {?}   7.411  0.010  0.013 {?}   1.576  0.029  0.038      16.128      4.380  0  0
  1204 {16.HA 31.HA}   4.328  0.030  0.039 {16.HG2 31.HB2}   1.573  0.032  0.043      58.403      4.506  0  0
  1205 {29.HA}   4.231  0.028  0.041 {29.HB3}   1.573  0.036  0.062     168.520     13.035  0  0
  1206 {6.HA 32.HA}   4.107  0.022  0.032 {6.HD3 31.HB2}   1.570  0.028  0.039      63.998      8.155  0  0
  1207 {?}   3.471  0.021  0.026 {?}   1.566  0.025  0.031      25.721      3.755  0  0
  1208 {6.HB2}   2.025  0.015  0.041 {6.HD3}   1.575  0.020  0.047      41.029     10.044  0  0
  1209 {6.HG3}   1.399  0.026  0.042 {6.HD3}   1.571  0.021  0.034     278.469     38.715  0  0
  1210 {29.HG3}   1.122  0.027  0.041 {29.HB3}   1.571  0.017  0.026      34.687      7.746  0  0
  1211 {?}   3.448  0.010  0.013 {?}   1.564  0.028  0.014       6.698      1.879  0  0
  1212 {32.H 32.H}   7.668  0.008  0.001 {31.HB2 32.HG}   1.545  0.008  0.001       1.551      1.551  0  0
  1213 {?}   0.855  0.005  0.008 {?}   1.542  0.010  0.018      14.241     14.241  0  0
  1214 {31.HA}   4.283  0.022  0.038 {31.HB2}   1.540  0.044  0.072     235.784     19.046  0  0
  1215 {31.H}   8.263  0.018  0.039 {31.HB2}   1.524  0.066  0.113     717.562     48.366  0  0
  1216 {11.HA 11.HA 21.HA}   5.040  0.020  0.023 {15.HB3 15.HG2 30.HB3}   1.518  0.010  0.029      11.990      3.615  0  0
  1217 {29.HA}   4.234  0.017  0.020 {30.HB3}   1.524  0.027  0.039      29.088      4.375  0  0
  1218 {?}   2.829  0.013  0.022 {?}   1.529  0.024  0.049      46.185      7.975  0  0
  1219 {6.HG2 15.HB3 30.HB3 31.HB2 32.HG}   1.533  0.032  0.049 {6.HG2 15.HB3 30.HB3 31.HB2 32.HG}   1.522  0.037  0.065   27188.766   1645.045  0  0
  1220 {30.HG2 31.HB3}   1.248  0.010  0.016 {30.HB3 31.HB2}   1.520  0.011  0.019      36.076     15.678  0  0
  1221 {6.H 29.H}   8.456  0.012  0.019 {6.HG2 30.HB3}   1.517  0.045  0.064      57.763      6.817  0  0
  1222 {?}   8.421  0.015  0.031 {?}   1.514  0.036  0.076     123.075     17.902  0  0
  1223 {15.H}   8.157  0.016  0.026 {15.HB3}   1.510  0.026  0.038      59.424      9.211  0  0
  1224 {30.H}   8.071  0.016  0.028 {30.HB3}   1.517  0.036  0.072     189.792     28.321  0  0
  1225 {12.HA 31.HA}   4.329  0.025  0.026 {15.HB3 31.HB2}   1.517  0.024  0.026      28.469      3.069  0  0
  1226 {6.HA 30.HA}   4.118  0.022  0.049 {6.HG2 30.HB3}   1.512  0.039  0.077     470.822     41.966  0  0
  1227 {6.HB2}   2.040  0.032  0.123 {6.HG2}   1.512  0.039  0.071    1446.229     90.584  0  0
  1228 {32.H}   7.668  0.013  0.024 {32.HG}   1.499  0.028  0.048     132.850     24.955  0  0
  1229 {?}   4.726  0.027  0.047 {?}   1.505  0.056  0.102     146.952      8.316  0  0
  1230 {6.HG2 15.HB3 15.HG2 24.HB3 28.HD2 30.HB3 32.HG}   1.506  0.021  0.030 {6.HG2 15.HB3 15.HG2 24.HB3 28.HD2 30.HB3 32.HG}   1.499  0.029  0.049   21402.830   3042.895  0  0
  1231 {?}   0.824  0.002  0.003 {?}   1.495  0.004  0.006       4.684      4.684  0  0
  1232 {28.H}   9.233  0.015  0.021 {28.HD2}   1.475  0.028  0.037      36.713      6.573  0  0
  1233 {15.H 24.H}   8.157  0.017  0.029 {15.HB3 24.HB3}   1.479  0.045  0.064     105.026      9.607  0  0
  1234 {11.HA 11.HA}   5.043  0.012  0.010 {15.HB3 15.HG2}   1.478  0.032  0.051      12.833      2.422  0  0
  1235 {28.HA}   4.904  0.020  0.020 {28.HD2}   1.477  0.033  0.032      19.045      2.761  0  0
  1236 {15.HD2}   3.110  0.029  0.050 {15.HG2}   1.475  0.067  0.125     533.648     24.324  0  0
  1237 {15.HD3}   2.944  0.026  0.041 {15.HG2}   1.474  0.045  0.115     165.106     12.268  0  0
  1238 {23.HB2}   2.743  0.013  0.013 {24.HB3}   1.474  0.035  0.034      15.931      2.821  0  0
  1239 {24.H}   8.116  0.018  0.034 {24.HB3}   1.469  0.037  0.063     175.148     21.921  0  0
  1240 {25.H 26.H}   7.996  0.013  0.021 {24.HB3 24.HB3}   1.467  0.029  0.038      26.054      4.832  0  0
  1241 {25.H 26.H}   7.971  0.017  0.018 {24.HB3 24.HB3}   1.469  0.029  0.033      19.569      3.235  0  0
  1242 {15.HA 15.HA 24.HA}   4.431  0.027  0.048 {15.HB3 15.HG2 24.HB3}   1.470  0.038  0.068     296.565     23.184  0  0
  1243 {24.HD2}   3.193  0.028  0.055 {24.HB3}   1.465  0.034  0.048     114.522     10.298  0  0
  1244 {24.HD3}   3.026  0.040  0.064 {24.HB3}   1.465  0.036  0.049     188.375     10.168  0  0
  1245 {24.HG2 28.HG2 28.HD3}   1.365  0.021  0.037 {24.HB3 28.HD2 28.HD2}   1.465  0.021  0.032     292.289     47.814  0  0
  1246 {?}   3.062  0.023  0.032 {?}   1.419  0.061  0.087      45.858      1.995  0  0
  1247 {6.H 29.H}   8.421  0.019  0.037 {6.HG3 28.HD3}   1.393  0.037  0.063      85.800     10.823  0  0
  1248 {?}   8.264  0.018  0.031 {?}   1.394  0.063  0.090     174.618     12.614  0  0
  1249 {16.HA}   4.327  0.021  0.031 {16.HG3}   1.393  0.042  0.047      48.239      3.356  0  0
  1250 {6.HA}   4.112  0.028  0.046 {6.HG3}   1.392  0.032  0.060     246.656     23.129  0  0
  1251 {?}  10.142  0.007  0.012 {?}   1.384  0.032  0.044      16.308      6.816  0  0
  1252 {28.H}   9.233  0.018  0.025 {28.HD3}   1.384  0.042  0.066      62.665      6.774  0  0
  1253 {6.H 29.H}   8.456  0.015  0.023 {6.HG3 28.HD3}   1.387  0.046  0.116      60.860      6.603  0  0
  1254 {28.HA}   4.904  0.025  0.038 {28.HD3}   1.384  0.038  0.057      83.850      7.409  0  0
  1255 {7.HA}   4.730  0.016  0.015 {6.HG3}   1.379  0.054  0.050      26.720      2.658  0  0
  1256 {24.HD3}   3.001  0.021  0.038 {24.HG2}   1.382  0.063  0.116     249.493     12.746  0  0
  1257 {23.HB2}   2.743  0.015  0.013 {24.HG2}   1.385  0.047  0.037      16.762      2.271  0  0
  1258 {28.HB2}   1.961  0.039  0.071 {28.HD3}   1.385  0.066  0.116     744.155     26.115  0  0
  1259 {6.HG3 16.HG3 24.HG2 28.HD3}   1.395  0.038  0.121 {6.HG3 16.HG3 24.HG2 28.HD3}   1.383  0.041  0.065    8253.016    434.237  0  0
  1260 {24.H}   8.116  0.017  0.028 {24.HG2}   1.360  0.048  0.116      82.997      8.441  0  0
  1261 {24.HA}   4.432  0.019  0.032 {24.HG2}   1.357  0.033  0.050      69.428      9.282  0  0
  1262 {24.HD2}   3.192  0.031  0.049 {24.HG2}   1.357  0.032  0.049     138.182     10.796  0  0
  1263 {16.HG3 24.HG2 28.HD3}   1.367  0.049  0.093 {16.HG3 24.HG2 28.HD3}   1.355  0.038  0.079   10785.145    386.574  0  0
  1264 {16.H}   7.810  0.015  0.035 {16.HG3}   1.347  0.044  0.102     214.018     23.774  0  0
  1265 {16.HA}   4.341  0.013  0.028 {16.HG3}   1.343  0.045  0.064      25.562      2.742  0  0
  1266 {16.HA 31.HA}   4.295  0.027  0.044 {16.HG3 31.HG}   1.352  0.073  0.125     384.815     15.030  0  0
  1267 {?}   4.010  0.013  0.017 {?}   1.350  0.085  0.101      58.251      4.038  0  0
  1268 {24.HD3}   3.061  0.023  0.032 {24.HG2}   1.334  0.099  0.142      79.694      2.280  0  0
  1269 {28.H}   9.233  0.019  0.015 {28.HG2}   1.320  0.029  0.055      16.659      2.233  0  0
  1270 {?}   8.421  0.017  0.017 {?}   1.318  0.045  0.064      34.962      2.817  0  0
  1271 {?}   0.721  0.008  0.000 {?}   1.318  0.013  0.000       1.427      1.427  0  0
  1272 {?}   4.729  0.017  0.007 {?}   1.302  0.022  0.021       7.509      1.714  0  0
  1273 {12.H}   8.634  0.010  0.007 {15.HG3}   1.285  0.024  0.016       5.450      2.119  0  0
  1274 {14.H}   8.219  0.016  0.004 {15.HG3}   1.291  0.049  0.016       8.228      1.594  0  0
  1275 {25.H 26.H}   7.971  0.009  0.016 {25.HB3 25.HB3}   1.286  0.025  0.016       7.139      2.086  0  0
  1276 {16.H}   7.810  0.014  0.025 {15.HG3}   1.287  0.045  0.064     101.020      9.476  0  0
  1277 {15.HD2}   3.112  0.026  0.053 {15.HG3}   1.283  0.036  0.116     124.235      9.750  0  0
  1278 {25.HG}   0.936  0.005  0.003 {25.HB3}   1.285  0.010  0.007       2.158      2.158  0  0
  1279 {29.H}   8.456  0.009  0.001 {29.HD3}   1.281  0.021  0.009       3.012      1.540  0  0
  1280 {?}   8.157  0.020  0.034 {?}   1.283  0.042  0.073     119.465     10.198  0  0
  1281 {25.H 26.H}   7.996  0.015  0.027 {25.HB3 25.HB3}   1.283  0.027  0.052      49.367      8.072  0  0
  1282 {11.HA}   5.044  0.019  0.032 {15.HG3}   1.277  0.042  0.062     126.329     10.860  0  0
  1283 {15.HA 24.HA}   4.419  0.024  0.036 {15.HG3 24.HG3}   1.282  0.039  0.070     150.450     12.491  0  0
  1284 {25.HA}   3.623  0.023  0.034 {25.HB3}   1.282  0.025  0.043      54.678      6.929  0  0
  1285 {15.HD3}   2.944  0.028  0.042 {15.HG3}   1.282  0.048  0.085     132.140      7.801  0  0
  1286 {?}   2.324  0.037  0.047 {?}   1.276  0.063  0.091     139.698      5.150  0  0
  1287 {25.HB2}   2.040  0.023  0.032 {25.HB3}   1.282  0.047  0.116     371.291     24.808  0  0
  1288 {15.HB2 30.HB2}   1.672  0.049  0.097 {15.HG3 30.HG2}   1.279  0.045  0.064    2347.347     76.643  0  0
  1289 {15.HG3 25.HB3 29.HD3 30.HG2}   1.290  0.033  0.072 {15.HG3 25.HB3 29.HD3 30.HG2}   1.279  0.038  0.062   10989.542    714.368  0  0
  1290 {29.HG3}   1.098  0.012  0.014 {29.HD3}   1.280  0.008  0.011       8.514      4.259  0  0
  1291 {?}   0.741  0.005  0.009 {?}   1.283  0.015  0.026      12.343     12.343  0  0
  1292 {?}   0.699  0.008  0.014 {?}   1.283  0.019  0.039      34.971     15.052  0  0
  1293 {29.HA}   4.233  0.016  0.016 {29.HD3}   1.263  0.039  0.037      18.833      2.679  0  0
  1294 {31.H}   8.263  0.018  0.035 {31.HB3}   1.257  0.045  0.064     125.135     11.475  0  0
  1295 {30.H}   8.071  0.016  0.029 {31.HB3}   1.253  0.035  0.054     117.025     18.225  0  0
  1296 {11.H 32.H}   7.666  0.010  0.008 {15.HG3 31.HB3}   1.252  0.033  0.028       7.983      2.330  0  0
  1297 {?}   4.731  0.010  0.004 {?}   1.259  0.041  0.059      10.278      1.778  0  0
  1298 {30.HA}   4.120  0.019  0.043 {30.HG2}   1.254  0.036  0.058     215.829     26.723  0  0
  1299 {26.HB2}   2.828  0.017  0.022 {8.HB2}   1.252  0.032  0.038      29.076      4.076  0  0
  1300 {8.HB2 15.HG3 24.HG3 25.HB3 29.HD3 30.HG2 31.HB3}   1.263  0.034  0.064 {8.HB2 15.HG3 24.HG3 25.HB3 29.HD3 30.HG2 31.HB3}   1.252  0.033  0.057   10938.710    750.888  0  0
  1301 {21.H}   7.502  0.013  0.018 {31.HB3}   1.238  0.018  0.016       9.352      2.607  0  0
  1302 {21.H}   7.484  0.009  0.020 {31.HB3}   1.238  0.015  0.016       7.761      3.006  0  0
  1303 {?}   7.412  0.009  0.008 {?}   1.238  0.012  0.010       4.217      2.454  0  0
  1304 {8.HA}   3.768  0.021  0.032 {8.HB2}   1.236  0.015  0.024      27.403      6.973  0  0
  1305 {24.HD2}   3.192  0.080  0.009 {24.HG3}   1.239  0.018  0.026       8.473      1.556  0  0
  1306 {?}   0.466  0.023  0.036 {?}   1.236  0.014  0.025      42.168     10.976  0  0
  1307 {8.H}   9.109  0.013  0.009 {8.HB2}   1.235  0.010  0.007       4.238      2.237  0  0
  1308 {24.H}   8.117  0.016  0.003 {24.HG3}   1.236  0.007  0.003       1.558      1.558  0  0
  1309 {26.HE1}  10.142  0.008  0.015 {8.HB2}   1.211  0.025  0.044      25.831     11.531  0  0
  1310 {?}   8.325  0.014  0.034 {?}   1.210  0.022  0.032     246.441     47.762  0  0
  1311 {31.H 31.H}   8.266  0.016  0.024 {29.HG2 31.HB3}   1.211  0.045  0.064      83.256      9.010  0  0
  1312 {?}   7.684  0.020  0.034 {?}   1.210  0.025  0.043     112.799     17.785  0  0
  1313 {?}   6.911  0.007  0.008 {?}   1.211  0.017  0.019       3.311      3.311  0  0
  1314 {26.HA}   5.140  0.021  0.030 {8.HB2}   1.210  0.021  0.037      47.620      7.421  0  0
  1315 {21.HA 21.HA}   5.043  0.016  0.021 {29.HG2 31.HB3}   1.211  0.015  0.042      10.840      4.196  0  0
  1316 {?}   4.401  0.013  0.030 {?}   1.209  0.025  0.047     188.242     35.623  0  0
  1317 {?}   4.198  0.020  0.047 {?}   1.209  0.023  0.032     430.625     62.788  0  0
  1318 {24.HD3}   3.064  0.020  0.015 {24.HG3}   1.209  0.012  0.022       6.939      2.329  0  0
  1319 {8.HB2 24.HG3 29.HG2 31.HB3}   1.217  0.017  0.030 {8.HB2 24.HG3 29.HG2 31.HB3}   1.209  0.024  0.035   14579.111   2698.399  0  0
  1320 {21.HB2}   2.330  0.019  0.028 {29.HG2}   1.191  0.022  0.039      48.092      6.626  0  0
  1321 {?}   2.022  0.041  0.058 {?}   1.193  0.045  0.064     211.003      7.394  0  0
  1322 {21.H}   7.482  0.007  0.002 {29.HG2}   1.179  0.015  0.004       1.654      1.654  0  0
  1323 {?}   4.719  0.012  0.014 {?}   1.178  0.011  0.014       9.561      4.025  0  0
  1324 {?}   3.113  0.014  0.020 {?}   1.182  0.025  0.048      65.364     12.993  0  0
  1325 {29.HG2 30.HG3}   1.185  0.013  0.019 {29.HG2 30.HG3}   1.178  0.013  0.026    9721.082   4159.952  0  0
  1326 {?}  10.142  0.004  0.006 {?}   1.175  0.045  0.064      20.681      5.172  0  0
  1327 {?}   3.768  0.021  0.031 {?}   1.176  0.027  0.047      64.758      8.605  0  0
  1328 {?}   7.810  0.011  0.008 {?}   1.144  0.036  0.030      13.183      2.141  0  0
  1329 {30.HA}   4.118  0.022  0.024 {30.HG3}   1.152  0.045  0.064      49.887      3.475  0  0
  1330 {?}   2.943  0.025  0.016 {?}   1.143  0.017  0.028       8.517      1.867  0  0
  1331 {?}   8.458  0.017  0.031 {?}   1.108  0.022  0.041     123.181     21.250  0  0
  1332 {30.H}   8.071  0.015  0.022 {29.HG3}   1.108  0.028  0.046      48.786      8.564  0  0
  1333 {21.H}   7.500  0.007  0.004 {29.HG3}   1.108  0.024  0.005       3.130      1.585  0  0
  1334 {21.H}   7.483  0.008  0.015 {29.HG3}   1.108  0.029  0.020       4.219      2.159  0  0
  1335 {?}   7.411  0.011  0.023 {?}   1.107  0.021  0.039      68.071     19.118  0  0
  1336 {?}   5.040  0.020  0.021 {?}   1.109  0.042  0.044      34.800      2.994  0  0
  1337 {?}   4.728  0.019  0.016 {?}   1.110  0.034  0.023      14.154      2.164  0  0
  1338 {29.HA}   4.231  0.024  0.050 {29.HG3}   1.108  0.022  0.042     170.263     22.448  0  0
  1339 {21.HB2}   2.330  0.029  0.048 {29.HG3}   1.109  0.035  0.076     111.070      8.697  0  0
  1340 {?}   2.005  0.041  0.058 {?}   1.107  0.035  0.090     207.868      9.310  0  0
  1341 {?}   1.964  0.041  0.058 {?}   1.110  0.117  0.168     603.127      8.157  0  0
  1342 {29.HB2}   1.734  0.031  0.071 {29.HG3}   1.109  0.031  0.086     409.672     35.598  0  0
  1343 {29.HG3}   1.117  0.028  0.073 {29.HG3}   1.108  0.020  0.041    5040.709    586.756  0  0
  1344 {28.HA}   4.904  0.019  0.005 {29.HG3}   1.107  0.043  0.011       5.920      1.628  0  0
  1345 {?}   8.324  0.012  0.010 {?}   1.081  0.045  0.064      18.577      2.383  0  0
  1346 {?}   1.053  0.019  0.040 {?}   1.043  0.026  0.038     759.343    117.870  0  0
  1347 {?}   1.013  0.021  0.034 {?}   1.005  0.015  0.027      42.586     11.985  0  0
  1348 {?}   7.809  0.015  0.004 {?}   0.983  0.081  0.116      23.696      1.635  0  0
  1349 {?}   3.062  0.025  0.006 {?}   0.980  0.113  0.085      23.954      1.670  0  0
  1350 {25.H}   7.996  0.022  0.031 {25.HG}   0.946  0.025  0.037      56.110      7.747  0  0
  1351 {25.H}   7.970  0.022  0.036 {25.HG}   0.946  0.027  0.042      85.229     11.828  0  0
  1352 {?}   7.390  0.017  0.031 {?}   0.946  0.026  0.042      90.691     14.333  0  0
  1353 {?}   7.068  0.018  0.013 {?}   0.945  0.019  0.012       7.181      2.070  0  0
  1354 {25.HA}   3.622  0.026  0.050 {25.HG}   0.946  0.025  0.043     292.192     28.500  0  0
  1355 {25.HB2}   2.041  0.037  0.055 {25.HG}   0.946  0.027  0.048    1409.404    105.915  0  0
  1356 {25.HG}   0.956  0.033  0.063 {25.HG}   0.946  0.025  0.044    1474.980    138.161  0  0
  1357 {?}   4.734  0.026  0.010 {?}   0.932  0.033  0.006       8.528      1.576  0  0
  1358 {?}   4.231  0.023  0.013 {?}   0.925  0.045  0.064      23.442      1.807  0  0
  1359 {?}  10.142  0.020  0.033 {?}   0.881  0.025  0.033      26.176      4.061  0  0
  1360 {?}   9.374  0.097  0.006 {?}   0.882  0.017  0.003       2.945      1.574  0  0
  1361 {?}   8.456  0.022  0.022 {?}   0.883  0.021  0.045      21.639      2.832  0  0
  1362 {?}   8.421  0.018  0.018 {?}   0.882  0.022  0.005       9.252      1.619  0  0
  1363 {?}   8.325  0.022  0.016 {?}   0.883  0.014  0.024       7.238      2.332  0  0
  1364 {?}   8.288  0.013  0.028 {?}   0.882  0.019  0.042      12.669      2.883  0  0
  1365 {?}   8.219  0.027  0.008 {?}   0.882  0.021  0.005       3.123      1.605  0  0
  1366 {?}   8.158  0.032  0.018 {?}   0.882  0.029  0.013      11.965      1.869  0  0
  1367 {?}   8.072  0.021  0.011 {?}   0.883  0.017  0.018       6.636      1.879  0  0
  1368 {?}   7.810  0.021  0.014 {?}   0.883  0.014  0.020       7.066      2.075  0  0
  1369 {?}   7.411  0.007  0.010 {?}   0.882  0.016  0.023       2.151      2.151  0  0
  1370 {?}   4.709  0.019  0.011 {?}   0.882  0.012  0.007       5.134      2.001  0  0
  1371 {?}   4.326  0.057  0.005 {?}   0.882  0.023  0.001       2.920      1.462  0  0
  1372 {?}   4.232  0.019  0.028 {?}   0.882  0.018  0.018       9.652      1.873  0  0
  1373 {?}   4.198  0.018  0.022 {?}   0.882  0.013  0.011       7.185      1.755  0  0
  1374 {?}   3.219  0.023  0.002 {?}   0.882  0.025  0.000       1.439      1.439  0  0
  1375 {?}   3.114  0.032  0.037 {?}   0.883  0.045  0.064      68.279      3.460  0  0
  1376 {?}   3.062  0.049  0.070 {?}   0.881  0.019  0.028      30.380      2.183  0  0
  1377 {?}   2.943  0.036  0.030 {?}   0.882  0.020  0.033      26.008      2.293  0  0
  1378 {?}   2.833  0.034  0.005 {?}   0.882  0.012  0.004       2.988      1.529  0  0
  1379 {?}   1.967  0.053  0.076 {?}   0.882  0.115  0.164     531.002      6.475  0  0
  1380 {?}   0.812  0.000  0.000 {?}   0.882  0.003  0.003       2.781      2.780  0  0
  1381 {?}   0.719  0.004  0.005 {?}   0.882  0.016  0.023       5.023      5.024  0  0
  1382 {?}   0.678  0.007  0.009 {?}   0.881  0.017  0.024       4.619      4.620  0  0
  1383 {?}   8.264  0.018  0.023 {?}   0.854  0.022  0.076      32.877      4.495  0  0
  1384 {?}   4.690  0.009  0.009 {?}   0.853  0.021  0.021       8.819      2.865  0  0
  1385 {?}   1.546  0.050  0.071 {?}   0.855  0.040  0.064    1157.715     43.658  0  0
  1386 {?}   0.861  0.015  0.037 {?}   0.853  0.018  0.036    8143.305   2481.461  0  0
  1387 {?}   3.001  0.021  0.026 {?}   0.844  0.027  0.039      30.428      3.864  0  0
  1388 {?}   0.719  0.001  0.000 {?}   0.844  0.005  0.001       1.524      1.524  0  0
  1389 {?}   1.507  0.033  0.124 {?}   0.830  0.041  0.059     879.057     42.377  0  0
  1390 {?}   0.830  0.012  0.028 {?}   0.821  0.024  0.034    7876.498   2320.787  0  0
  1391 {?}  10.142  0.012  0.011 {?}   0.808  0.011  0.010       5.060      2.540  0  0
  1392 {?}   8.455  0.021  0.010 {?}   0.808  0.012  0.012       3.698      1.875  0  0
  1393 {?}   8.324  0.019  0.008 {?}   0.808  0.017  0.007       4.423      1.797  0  0
  1394 {?}   8.287  0.025  0.021 {?}   0.808  0.012  0.020       8.399      2.296  0  0
  1395 {?}   7.810  0.017  0.003 {?}   0.808  0.017  0.003       3.100      1.561  0  0
  1396 {?}   4.667  0.003  0.001 {?}   0.809  0.004  0.001       1.585      1.585  0  0
  1397 {?}   3.112  0.028  0.027 {?}   0.809  0.014  0.030      11.227      2.670  0  0
  1398 {?}   3.000  0.021  0.028 {?}   0.807  0.027  0.039      30.776      4.078  0  0
  1399 {?}   2.944  0.033  0.016 {?}   0.809  0.010  0.007       5.995      1.703  0  0
  1400 {?}   2.330  0.039  0.033 {?}   0.809  0.015  0.029      13.752      2.449  0  0
  1401 {?}   1.909  0.034  0.051 {?}   0.809  0.041  0.059     147.744      7.083  0  0
  1402 {?}   0.719  0.002  0.003 {?}   0.809  0.006  0.009       5.319      5.319  0  0
  1403 {?}   0.678  0.003  0.004 {?}   0.809  0.007  0.009       3.965      3.965  0  0
  1404 {?}   1.508  0.041  0.058 {?}   0.793  0.027  0.039     623.907     39.906  0  0
  1405 {?}   8.263  0.012  0.017 {?}   0.780  0.045  0.064      35.216      4.904  0  0
  1406 {?}   7.668  0.006  0.002 {?}   0.783  0.024  0.009       3.011      1.758  0  0
  1407 {?}   4.731  0.009  0.009 {?}   0.780  0.006  0.013       5.631      2.847  0  0
  1408 {?}   4.288  0.021  0.035 {?}   0.782  0.015  0.029      59.985     17.371  0  0
  1409 {?}   1.542  0.050  0.071 {?}   0.782  0.036  0.064    1136.724     45.027  0  0
  1410 {?}   0.791  0.017  0.047 {?}   0.782  0.017  0.035   13135.145   3890.681  0  0
  1411 {?}   1.262  0.037  0.071 {?}   0.776  0.027  0.039     301.751     19.482  0  0
  1412 {?}   3.002  0.017  0.018 {?}   0.758  0.041  0.059      31.368      3.079  0  0
  1413 {?}   2.331  0.027  0.014 {?}   0.758  0.012  0.008       4.737      1.685  0  0
  1414 {?}   1.909  0.034  0.065 {?}   0.757  0.045  0.064     142.383      6.468  0  0
  1415 {?}   9.233  0.015  0.019 {?}   0.747  0.017  0.023      10.672      4.284  0  0
  1416 {?}   9.045  0.020  0.030 {?}   0.746  0.018  0.048      54.451     12.173  0  0
  1417 {?}   8.457  0.009  0.003 {?}   0.750  0.017  0.017       5.612      1.673  0  0
  1418 {?}   8.117  0.013  0.009 {?}   0.746  0.019  0.013       6.904      2.154  0  0
  1419 {?}   8.072  0.013  0.016 {?}   0.747  0.036  0.062      24.257      4.101  0  0
  1420 {?}   5.039  0.023  0.031 {?}   0.747  0.025  0.078      40.098      5.626  0  0
  1421 {?}   4.400  0.020  0.034 {?}   0.747  0.027  0.039     159.518     23.143  0  0
  1422 {?}   4.232  0.016  0.016 {?}   0.751  0.041  0.042      21.477      2.968  0  0
  1423 {?}   4.120  0.019  0.036 {?}   0.746  0.034  0.069      90.851     12.815  0  0
  1424 {?}   3.219  0.015  0.029 {?}   0.747  0.024  0.016      10.957      2.176  0  0
  1425 {?}   3.114  0.020  0.015 {?}   0.754  0.022  0.035      13.728      1.833  0  0
  1426 {?}   1.962  0.038  0.071 {?}   0.747  0.044  0.168     180.610      8.156  0  0
  1427 {?}   1.840  0.029  0.068 {?}   0.747  0.047  0.067     825.904     52.615  0  0
  1428 {?}   1.480  0.023  0.032 {?}   0.745  0.045  0.116     379.037     23.096  0  0
  1429 {?}   1.369  0.046  0.079 {?}   0.745  0.098  0.142     890.796     15.578  0  0
  1430 {?}   4.728  0.018  0.019 {?}   0.738  0.048  0.055      29.222      2.945  0  0
  1431 {?}   1.290  0.035  0.110 {?}   0.734  0.016  0.042     256.812     41.133  0  0
  1432 {?}   0.956  0.035  0.080 {?}   0.732  0.015  0.032     124.598     21.708  0  0
  1433 {?}   0.747  0.027  0.048 {?}   0.735  0.021  0.040    6709.244    855.692  0  0
  1434 {?}   7.970  0.016  0.013 {?}   0.731  0.016  0.011       5.512      2.227  0  0
  1435 {?}   7.390  0.016  0.021 {?}   0.730  0.019  0.036      18.912      5.248  0  0
  1436 {?}   7.134  0.012  0.013 {?}   0.729  0.018  0.020      11.411      3.310  0  0
  1437 {?}   7.068  0.017  0.025 {?}   0.730  0.024  0.040      44.271      7.403  0  0
  1438 {?}   2.040  0.040  0.101 {?}   0.731  0.025  0.039     438.515     30.939  0  0
  1439 {?}   7.997  0.018  0.041 {?}   0.689  0.020  0.037     109.878     19.497  0  0
  1440 {?}   7.390  0.015  0.017 {?}   0.690  0.041  0.064      24.043      3.830  0  0
  1441 {?}   4.433  0.015  0.007 {?}   0.689  0.019  0.008       4.729      1.815  0  0
  1442 {?}   3.622  0.025  0.051 {?}   0.690  0.020  0.038     357.453     52.391  0  0
  1443 {?}   2.040  0.023  0.032 {?}   0.691  0.045  0.064     321.130     22.533  0  0
  1444 {?}   1.291  0.037  0.117 {?}   0.691  0.036  0.061     871.147     54.974  0  0
  1445 {?}   0.956  0.035  0.072 {?}   0.690  0.036  0.060     362.963     24.679  0  0
  1446 {?}   0.698  0.017  0.037 {?}   0.690  0.019  0.037    1748.558    519.863  0  0
  1447 {?}   4.289  0.020  0.004 {?}   0.672  0.045  0.064      13.615      1.552  0  0
  1448 {?}   9.109  0.014  0.020 {?}   0.456  0.032  0.040      27.831      4.739  0  0
  1449 {?}   7.504  0.006  0.012 {?}   0.455  0.034  0.033       8.156      2.719  0  0
  1450 {?}   7.481  0.011  0.026 {?}   0.457  0.036  0.040      23.547      3.322  0  0
  1451 {?}   7.411  0.011  0.019 {?}   0.456  0.035  0.047      45.037      7.436  0  0
  1452 {?}   4.313  0.024  0.018 {?}   0.455  0.036  0.028      20.501      2.198  0  0
  1453 {?}   3.768  0.025  0.039 {?}   0.456  0.033  0.047     122.731     12.537  0  0
  1454 {?}   1.676  0.038  0.097 {?}   0.457  0.044  0.116     604.585     28.935  0  0
  1455 {?}   1.590  0.059  0.084 {?}   0.457  0.043  0.106     728.133     21.702  0  0
  1456 {?}   1.243  0.030  0.110 {?}   0.456  0.033  0.053    1301.988    104.894  0  0
  1457 {?}   1.184  0.014  0.033 {?}   0.458  0.099  0.142     973.626     48.217  0  0
  1458 {?}   0.468  0.027  0.049 {?}   0.456  0.032  0.046     205.219     20.604  0  0
  1459 {?}   0.070  0.013  0.021 {?}   0.059  0.021  0.034      30.265     10.101  0  0
  1460 {25.H 26.H}   7.971  0.021  0.037 {25.HB2 25.HB2}   2.034  0.023  0.043     152.023     21.342  0  0
  1461 {29.HB2}   1.734  0.033  0.071 {29.HB3}   1.572  0.043  0.068    2125.367    122.225  0  0
  1462 {6.HB3 15.HB2 30.HB2}   1.691  0.052  0.110 {6.HG2 15.HB3 30.HB3}   1.517  0.062  0.090    5322.333    136.582  0  0
  1463 {?}   0.753  0.016  0.025 {?}   9.059  0.029  0.039      40.552      7.136  0  0
  1464 {?}   0.753  0.016  0.021 {?}   8.871  0.030  0.035      23.272      4.089  0  0
  1465 {8.HB2}   1.217  0.013  0.027 {10.H}   8.336  0.015  0.030      75.221     31.448  0  0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H1       GLY   1   2.613   1.113  -0.262
    2    H2   GLY   1           H2       GLY   1   1.700   0.810  -1.612
    3    H3   GLY   1           H3       GLY   1   1.394  -0.000  -0.204
    4    HA2  GLY   1           HA2      GLY   1   3.790  -0.248  -1.878
    5    HA3  GLY   1           HA3      GLY   1   3.548  -1.056  -0.314
    6    HA   PRO   2           HA       PRO   2   2.106  -3.929  -3.658
    7    HB2  PRO   2           HB2      PRO   2   2.990  -6.262  -2.436
    8    HB3  PRO   2           HB3      PRO   2   4.000  -5.202  -3.452
    9    HG2  PRO   2           HG2      PRO   2   3.758  -5.222  -0.430
   10    HG3  PRO   2           HG3      PRO   2   5.254  -5.224  -1.421
   11    HD2  PRO   2           HD2      PRO   2   4.297  -2.935  -0.384
   12    HD3  PRO   2           HD3      PRO   2   4.920  -2.960  -2.058
   13    H    TYR   3           H        TYR   3   1.011  -3.534  -0.435
   14    HA   TYR   3           HA       TYR   3  -1.379  -5.032  -1.102
   15    HB2  TYR   3           HB2      TYR   3  -1.363  -6.160   1.235
   16    HB3  TYR   3           HB3      TYR   3  -0.688  -6.884  -0.208
   17    HD1  TYR   3           HD1      TYR   3   1.611  -7.456  -0.397
   18    HD2  TYR   3           HD2      TYR   3   0.234  -5.079   2.933
   19    HE1  TYR   3           HE1      TYR   3   3.767  -7.860   0.790
   20    HE2  TYR   3           HE2      TYR   3   2.414  -5.439   4.084
   21    HH   TYR   3           HH       TYR   3   4.634  -6.167   3.752
   22    H    CYS   4           H        CYS   4  -2.787  -3.571  -1.134
   23    HA   CYS   4           HA       CYS   4  -3.449  -2.078   1.318
   24    HB2  CYS   4           HB2      CYS   4  -3.321   0.082  -0.031
   25    HB3  CYS   4           HB3      CYS   4  -1.833  -0.593   0.584
   26    H    GLN   5           H        GLN   5  -4.257  -1.573  -2.173
   27    HA   GLN   5           HA       GLN   5  -7.013  -1.134  -1.638
   28    HB2  GLN   5           HB2      GLN   5  -5.951  -0.283  -3.597
   29    HB3  GLN   5           HB3      GLN   5  -5.542  -1.883  -4.190
   30    HG2  GLN   5           HG2      GLN   5  -8.467  -1.316  -3.715
   31    HG3  GLN   5           HG3      GLN   5  -7.697  -0.395  -4.986
   32   HE21  GLN   5          HE21      GLN   5  -6.039  -2.183  -6.422
   33   HE22  GLN   5          HE22      GLN   5  -7.041  -3.523  -6.905
   34    H    LYS   6           H        LYS   6  -5.658  -4.089  -3.250
   35    HA   LYS   6           HA       LYS   6  -7.925  -5.669  -2.315
   36    HB2  LYS   6           HB2      LYS   6  -6.773  -5.937  -4.542
   37    HB3  LYS   6           HB3      LYS   6  -5.452  -6.752  -3.691
   38    HG2  LYS   6           HG2      LYS   6  -6.930  -8.562  -3.000
   39    HG3  LYS   6           HG3      LYS   6  -8.364  -7.611  -3.379
   40    HD2  LYS   6           HD2      LYS   6  -8.141  -9.263  -5.087
   41    HD3  LYS   6           HD3      LYS   6  -7.772  -7.693  -5.799
   42    HE2  LYS   6           HE2      LYS   6  -6.126  -9.130  -6.660
   43    HE3  LYS   6           HE3      LYS   6  -5.292  -8.253  -5.368
   44    HZ1  LYS   6           HZ1      LYS   6  -6.452 -10.977  -5.196
   45    HZ2  LYS   6           HZ2      LYS   6  -5.687 -10.240  -3.935
   46    HZ3  LYS   6           HZ3      LYS   6  -4.864 -10.653  -5.311
   47    H    TRP   7           H        TRP   7  -6.531  -4.461  -0.215
   48    HA   TRP   7           HA       TRP   7  -6.550  -6.836   1.488
   49    HB2  TRP   7           HB2      TRP   7  -4.120  -6.419   0.935
   50    HB3  TRP   7           HB3      TRP   7  -4.259  -4.870   1.747
   51    HD1  TRP   7           HD1      TRP   7  -5.401  -8.396   2.967
   52    HE1  TRP   7           HE1      TRP   7  -4.186  -8.952   5.179
   53    HE3  TRP   7           HE3      TRP   7  -2.574  -4.154   3.455
   54    HZ2  TRP   7           HZ2      TRP   7  -2.030  -7.870   6.714
   55    HZ3  TRP   7           HZ3      TRP   7  -0.927  -3.954   5.302
   56    HH2  TRP   7           HH2      TRP   7  -0.638  -5.804   6.932
   57    H    MET   8           H        MET   8  -7.859  -4.010   0.747
   58    HA   MET   8           HA       MET   8  -9.272  -2.606   1.725
   59    HB2  MET   8           HB2      MET   8  -9.572  -5.031   3.474
   60    HB3  MET   8           HB3      MET   8 -10.616  -3.622   3.684
   61    HG2  MET   8           HG2      MET   8 -11.437  -3.712   1.478
   62    HG3  MET   8           HG3      MET   8 -10.181  -4.821   0.933
   63    HE1  MET   8           HE1      MET   8 -11.274  -8.274   2.281
   64    HE2  MET   8           HE2      MET   8 -10.120  -7.379   1.272
   65    HE3  MET   8           HE3      MET   8 -10.113  -7.171   3.039
   66    H    GLN   9           H        GLN   9  -7.087  -1.627   2.022
   67    HA   GLN   9           HA       GLN   9  -5.885  -0.966   4.369
   68    HB2  GLN   9           HB2      GLN   9  -4.887   0.866   3.052
   69    HB3  GLN   9           HB3      GLN   9  -4.940  -0.644   2.194
   70    HG2  GLN   9           HG2      GLN   9  -6.903   0.094   0.867
   71    HG3  GLN   9           HG3      GLN   9  -6.995   1.586   1.801
   72   HE21  GLN   9          HE21      GLN   9  -4.083   2.144   1.814
   73   HE22  GLN   9          HE22      GLN   9  -3.750   2.674   0.185
   74    H    THR  10           H        THR  10  -8.459  -0.561   5.359
   75    HA   THR  10           HA       THR  10  -9.508   0.929   6.849
   76    HB   THR  10           HB       THR  10  -6.589   1.269   7.561
   77    HG1  THR  10           HG1      THR  10  -6.621  -0.798   8.247
   78   HG21  THR  10          HG21      THR  10  -9.146   0.771   9.167
   79   HG22  THR  10          HG22      THR  10  -8.223   2.286   9.124
   80   HG23  THR  10          HG23      THR  10  -7.504   0.842   9.846
   81    H    CYS  11           H        CYS  11 -10.088   2.654   5.020
   82    HA   CYS  11           HA       CYS  11  -8.069   4.684   4.758
   83    HB2  CYS  11           HB2      CYS  11  -9.332   3.677   2.915
   84    HB3  CYS  11           HB3      CYS  11 -10.733   4.654   3.372
   85    H    ASP  12           H        ASP  12  -8.055   6.782   5.025
   86    HA   ASP  12           HA       ASP  12  -9.898   8.231   6.831
   87    HB2  ASP  12           HB2      ASP  12  -6.868   7.995   7.146
   88    HB3  ASP  12           HB3      ASP  12  -7.941   8.970   8.136
   89    H    SER  13           H        SER  13  -9.169  10.680   6.723
   90    HA   SER  13           HA       SER  13  -8.551  11.493   4.010
   91    HB2  SER  13           HB2      SER  13 -10.066  12.822   5.361
   92    HB3  SER  13           HB3      SER  13  -8.804  13.114   6.560
   93    HG   SER  13           HG       SER  13  -7.587  13.988   4.700
   94    H    GLU  14           H        GLU  14  -6.481  10.056   5.722
   95    HA   GLU  14           HA       GLU  14  -4.079  11.661   4.982
   96    HB2  GLU  14           HB2      GLU  14  -3.049  10.977   7.086
   97    HB3  GLU  14           HB3      GLU  14  -4.476  11.952   7.376
   98    HG2  GLU  14           HG2      GLU  14  -5.816  10.007   7.935
   99    HG3  GLU  14           HG3      GLU  14  -4.493   8.913   7.529
  100    H    ARG  15           H        ARG  15  -5.784   8.964   4.268
  101    HA   ARG  15           HA       ARG  15  -3.556   7.041   4.491
  102    HB2  ARG  15           HB2      ARG  15  -6.086   6.672   5.158
  103    HB3  ARG  15           HB3      ARG  15  -6.279   6.230   3.461
  104    HG2  ARG  15           HG2      ARG  15  -4.139   5.061   5.311
  105    HG3  ARG  15           HG3      ARG  15  -5.764   4.381   5.197
  106    HD2  ARG  15           HD2      ARG  15  -5.449   3.421   3.170
  107    HD3  ARG  15           HD3      ARG  15  -4.453   4.734   2.545
  108    HE   ARG  15           HE       ARG  15  -2.590   3.420   3.077
  109   HH11  ARG  15          HH11      ARG  15  -5.164   2.338   5.221
  110   HH12  ARG  15          HH12      ARG  15  -3.989   1.569   6.285
  111   HH21  ARG  15          HH21      ARG  15  -1.215   2.307   4.535
  112   HH22  ARG  15          HH22      ARG  15  -2.007   1.374   5.793
  113    H    LYS  16           H        LYS  16  -2.470   6.306   2.931
  114    HA   LYS  16           HA       LYS  16  -2.417   7.468   0.299
  115    HB2  LYS  16           HB2      LYS  16  -0.762   5.348   1.721
  116    HB3  LYS  16           HB3      LYS  16  -0.427   5.899   0.091
  117    HG2  LYS  16           HG2      LYS  16   1.020   7.049   1.630
  118    HG3  LYS  16           HG3      LYS  16  -0.098   8.216   0.922
  119    HD2  LYS  16           HD2      LYS  16  -1.376   8.345   2.968
  120    HD3  LYS  16           HD3      LYS  16  -0.494   6.964   3.678
  121    HE2  LYS  16           HE2      LYS  16   1.555   8.412   3.680
  122    HE3  LYS  16           HE3      LYS  16   0.576   9.724   3.001
  123    HZ1  LYS  16           HZ1      LYS  16   0.656  10.013   5.325
  124    HZ2  LYS  16           HZ2      LYS  16   0.234   8.476   5.674
  125    HZ3  LYS  16           HZ3      LYS  16  -0.878   9.495   5.009
  126    H    CYS  17           H        CYS  17  -4.679   6.769  -0.057
  127    HA   CYS  17           HA       CYS  17  -5.554   4.115  -0.433
  128    HB2  CYS  17           HB2      CYS  17  -6.962   6.126  -0.078
  129    HB3  CYS  17           HB3      CYS  17  -6.537   6.694  -1.687
  130    H    CYS  18           H        CYS  18  -4.676   2.682  -1.878
  131    HA   CYS  18           HA       CYS  18  -2.772   3.570  -3.768
  132    HB2  CYS  18           HB2      CYS  18  -4.042   0.889  -3.176
  133    HB3  CYS  18           HB3      CYS  18  -2.781   1.082  -4.395
  134    H    GLU  19           H        GLU  19  -6.149   3.183  -4.282
  135    HA   GLU  19           HA       GLU  19  -5.743   3.605  -7.209
  136    HB2  GLU  19           HB2      GLU  19  -7.772   1.792  -5.848
  137    HB3  GLU  19           HB3      GLU  19  -7.833   2.228  -7.554
  138    HG2  GLU  19           HG2      GLU  19  -5.632   0.634  -6.210
  139    HG3  GLU  19           HG3      GLU  19  -6.911   0.007  -7.245
  140    H    GLY  20           H        GLY  20  -6.643   5.229  -4.606
  141    HA2  GLY  20           HA2      GLY  20  -7.912   7.074  -4.197
  142    HA3  GLY  20           HA3      GLY  20  -8.020   7.256  -5.951
  143    H    MET  21           H        MET  21  -9.483   4.395  -4.676
  144    HA   MET  21           HA       MET  21 -12.161   5.473  -5.367
  145    HB2  MET  21           HB2      MET  21 -12.712   3.120  -5.966
  146    HB3  MET  21           HB3      MET  21 -11.481   3.895  -6.962
  147    HG2  MET  21           HG2      MET  21  -9.707   2.736  -5.709
  148    HG3  MET  21           HG3      MET  21 -10.907   1.942  -4.701
  149    HE1  MET  21           HE1      MET  21  -9.738   2.499  -8.392
  150    HE2  MET  21           HE2      MET  21 -10.300   1.026  -9.214
  151    HE3  MET  21           HE3      MET  21 -11.457   2.276  -8.715
  152    H    VAL  22           H        VAL  22 -13.644   5.627  -3.913
  153    HA   VAL  22           HA       VAL  22 -14.789   5.516  -1.991
  154    HB   VAL  22           HB       VAL  22 -14.507   2.517  -2.135
  155   HG11  VAL  22          HG11      VAL  22 -16.904   2.653  -1.441
  156   HG12  VAL  22          HG12      VAL  22 -15.813   3.331  -0.236
  157   HG13  VAL  22          HG13      VAL  22 -16.752   4.408  -1.295
  158   HG21  VAL  22          HG21      VAL  22 -16.360   4.251  -3.803
  159   HG22  VAL  22          HG22      VAL  22 -14.968   3.352  -4.438
  160   HG23  VAL  22          HG23      VAL  22 -16.309   2.468  -3.720
  161    H    CYS  23           H        CYS  23 -12.938   6.575  -0.872
  162    HA   CYS  23           HA       CYS  23 -11.568   5.060   1.165
  163    HB2  CYS  23           HB2      CYS  23 -10.760   7.171   0.148
  164    HB3  CYS  23           HB3      CYS  23 -12.070   8.037   0.947
  165    H    ARG  24           H        ARG  24 -13.816   3.992   1.590
  166    HA   ARG  24           HA       ARG  24 -14.882   5.121   4.134
  167    HB2  ARG  24           HB2      ARG  24 -16.550   3.911   1.889
  168    HB3  ARG  24           HB3      ARG  24 -17.047   3.879   3.568
  169    HG2  ARG  24           HG2      ARG  24 -18.138   5.767   2.886
  170    HG3  ARG  24           HG3      ARG  24 -16.655   6.462   3.571
  171    HD2  ARG  24           HD2      ARG  24 -15.700   6.488   1.204
  172    HD3  ARG  24           HD3      ARG  24 -17.262   5.900   0.625
  173    HE   ARG  24           HE       ARG  24 -17.098   8.350   2.337
  174   HH11  ARG  24          HH11      ARG  24 -17.697   7.218  -1.001
  175   HH12  ARG  24          HH12      ARG  24 -18.563   8.677  -1.339
  176   HH21  ARG  24          HH21      ARG  24 -18.365   9.959   1.836
  177   HH22  ARG  24          HH22      ARG  24 -18.785  10.249   0.146
  178    H    LEU  25           H        LEU  25 -14.215   3.909   5.661
  179    HA   LEU  25           HA       LEU  25 -13.174   2.298   6.844
  180    HB2  LEU  25           HB2      LEU  25 -15.057   0.409   5.392
  181    HB3  LEU  25           HB3      LEU  25 -14.177   0.095   6.876
  182    HG   LEU  25           HG       LEU  25 -15.459   2.289   7.728
  183   HD11  LEU  25          HD11      LEU  25 -16.686   2.761   5.628
  184   HD12  LEU  25          HD12      LEU  25 -17.802   2.285   6.874
  185   HD13  LEU  25          HD13      LEU  25 -17.338   1.115   5.610
  186   HD21  LEU  25          HD21      LEU  25 -16.731  -0.462   7.489
  187   HD22  LEU  25          HD22      LEU  25 -17.173   0.802   8.670
  188   HD23  LEU  25          HD23      LEU  25 -15.578   0.054   8.739
  189    H    TRP  26           H        TRP  26 -12.846   1.807   3.433
  190    HA   TRP  26           HA       TRP  26 -10.141   0.741   3.658
  191    HB2  TRP  26           HB2      TRP  26 -11.084  -1.142   1.910
  192    HB3  TRP  26           HB3      TRP  26 -10.816  -1.342   3.615
  193    HD1  TRP  26           HD1      TRP  26 -12.663  -2.267   4.987
  194    HE1  TRP  26           HE1      TRP  26 -15.198  -2.557   4.796
  195    HE3  TRP  26           HE3      TRP  26 -13.466   0.325   0.633
  196    HZ2  TRP  26           HZ2      TRP  26 -17.293  -1.852   2.968
  197    HZ3  TRP  26           HZ3      TRP  26 -15.745   0.505  -0.291
  198    HH2  TRP  26           HH2      TRP  26 -17.672  -0.608   0.851
  199    H    CYS  27           H        CYS  27  -9.989  -0.036   0.866
  200    HA   CYS  27           HA       CYS  27 -11.207   2.142  -0.669
  201    HB2  CYS  27           HB2      CYS  27  -8.264   1.439  -0.940
  202    HB3  CYS  27           HB3      CYS  27  -9.219   2.308  -2.139
  203    H    LYS  28           H        LYS  28 -12.293   1.304  -2.294
  204    HA   LYS  28           HA       LYS  28 -11.804  -1.353  -3.495
  205    HB2  LYS  28           HB2      LYS  28 -14.267  -0.678  -1.820
  206    HB3  LYS  28           HB3      LYS  28 -14.173  -2.064  -2.882
  207    HG2  LYS  28           HG2      LYS  28 -12.318  -1.692  -0.499
  208    HG3  LYS  28           HG3      LYS  28 -13.856  -2.512  -0.408
  209    HD2  LYS  28           HD2      LYS  28 -11.844  -3.409  -2.485
  210    HD3  LYS  28           HD3      LYS  28 -11.618  -3.876  -0.816
  211    HE2  LYS  28           HE2      LYS  28 -14.163  -4.415  -2.415
  212    HE3  LYS  28           HE3      LYS  28 -12.841  -5.556  -2.198
  213    HZ1  LYS  28           HZ1      LYS  28 -13.222  -5.452   0.214
  214    HZ2  LYS  28           HZ2      LYS  28 -14.488  -6.058  -0.592
  215    HZ3  LYS  28           HZ3      LYS  28 -14.552  -4.516  -0.007
  216    H    LYS  29           H        LYS  29 -13.260  -1.664  -5.437
  217    HA   LYS  29           HA       LYS  29 -13.708   0.944  -6.673
  218    HB2  LYS  29           HB2      LYS  29 -12.770  -1.204  -7.799
  219    HB3  LYS  29           HB3      LYS  29 -14.465  -1.683  -7.966
  220    HG2  LYS  29           HG2      LYS  29 -14.827   0.660  -9.066
  221    HG3  LYS  29           HG3      LYS  29 -13.078   0.813  -9.046
  222    HD2  LYS  29           HD2      LYS  29 -13.561   0.052 -11.209
  223    HD3  LYS  29           HD3      LYS  29 -13.033  -1.416 -10.379
  224    HE2  LYS  29           HE2      LYS  29 -15.436  -1.991  -9.931
  225    HE3  LYS  29           HE3      LYS  29 -15.919  -0.484 -10.728
  226    HZ1  LYS  29           HZ1      LYS  29 -14.856  -1.347 -12.773
  227    HZ2  LYS  29           HZ2      LYS  29 -16.112  -2.274 -12.264
  228    HZ3  LYS  29           HZ3      LYS  29 -14.575  -2.780 -12.016
  229    H    LYS  30           H        LYS  30 -15.528   2.039  -6.982
  230    HA   LYS  30           HA       LYS  30 -18.144   0.693  -7.376
  231    HB2  LYS  30           HB2      LYS  30 -18.141   1.341  -4.969
  232    HB3  LYS  30           HB3      LYS  30 -17.704   2.981  -5.432
  233    HG2  LYS  30           HG2      LYS  30 -19.927   2.981  -6.801
  234    HG3  LYS  30           HG3      LYS  30 -20.358   1.589  -5.809
  235    HD2  LYS  30           HD2      LYS  30 -19.575   4.385  -4.857
  236    HD3  LYS  30           HD3      LYS  30 -21.205   3.736  -4.884
  237    HE2  LYS  30           HE2      LYS  30 -18.896   2.719  -3.155
  238    HE3  LYS  30           HE3      LYS  30 -20.179   3.810  -2.628
  239    HZ1  LYS  30           HZ1      LYS  30 -20.535   0.992  -3.477
  240    HZ2  LYS  30           HZ2      LYS  30 -21.774   2.037  -3.230
  241    HZ3  LYS  30           HZ3      LYS  30 -20.772   1.650  -1.981
  242    H    LEU  31           H        LEU  31 -18.119   1.208  -9.541
  243    HA   LEU  31           HA       LEU  31 -18.118   4.024 -10.397
  244    HB2  LEU  31           HB2      LEU  31 -15.773   3.628 -10.163
  245    HB3  LEU  31           HB3      LEU  31 -15.853   2.081 -10.983
  246    HG   LEU  31           HG       LEU  31 -16.713   4.467 -12.595
  247   HD11  LEU  31          HD11      LEU  31 -13.795   3.944 -11.926
  248   HD12  LEU  31          HD12      LEU  31 -14.743   5.359 -11.419
  249   HD13  LEU  31          HD13      LEU  31 -14.414   5.081 -13.136
  250   HD21  LEU  31          HD21      LEU  31 -14.806   2.157 -13.215
  251   HD22  LEU  31          HD22      LEU  31 -15.520   3.284 -14.375
  252   HD23  LEU  31          HD23      LEU  31 -16.541   2.101 -13.532
  253    H    LEU  32           H        LEU  32 -19.109   4.411 -12.332
  254    HA   LEU  32           HA       LEU  32 -20.277   2.112 -13.842
  255    HB2  LEU  32           HB2      LEU  32 -21.519   3.797 -15.016
  256    HB3  LEU  32           HB3      LEU  32 -21.536   4.230 -13.312
  257    HG   LEU  32           HG       LEU  32 -19.321   5.676 -14.100
  258   HD11  LEU  32          HD11      LEU  32 -21.182   5.708 -16.535
  259   HD12  LEU  32          HD12      LEU  32 -19.558   5.008 -16.537
  260   HD13  LEU  32          HD13      LEU  32 -19.762   6.738 -16.277
  261   HD21  LEU  32          HD21      LEU  32 -22.215   6.565 -14.451
  262   HD22  LEU  32          HD22      LEU  32 -20.798   7.624 -14.262
  263   HD23  LEU  32          HD23      LEU  32 -21.301   6.571 -12.928
  Start of MODEL    2
    1    H1   GLY   1           H1       GLY   1   4.898  -2.861  -4.928
    2    H2   GLY   1           H2       GLY   1   4.278  -4.186  -4.174
    3    H3   GLY   1           H3       GLY   1   3.290  -3.191  -5.032
    4    HA2  GLY   1           HA2      GLY   1   4.766  -2.348  -2.642
    5    HA3  GLY   1           HA3      GLY   1   3.513  -1.424  -3.503
    6    HA   PRO   2           HA       PRO   2   1.836  -4.075  -0.001
    7    HB2  PRO   2           HB2      PRO   2   0.844  -2.169   1.672
    8    HB3  PRO   2           HB3      PRO   2   2.589  -2.589   1.592
    9    HG2  PRO   2           HG2      PRO   2   1.188  -0.295   0.169
   10    HG3  PRO   2           HG3      PRO   2   2.643  -0.217   1.214
   11    HD2  PRO   2           HD2      PRO   2   2.868  -0.401  -1.484
   12    HD3  PRO   2           HD3      PRO   2   3.982  -1.292  -0.398
   13    H    TYR   3           H        TYR   3  -0.188  -4.960  -0.094
   14    HA   TYR   3           HA       TYR   3  -2.122  -3.860  -1.835
   15    HB2  TYR   3           HB2      TYR   3  -2.283  -6.178   0.066
   16    HB3  TYR   3           HB3      TYR   3  -3.646  -5.646  -0.901
   17    HD1  TYR   3           HD1      TYR   3  -0.963  -7.897  -0.885
   18    HD2  TYR   3           HD2      TYR   3  -3.123  -5.241  -3.514
   19    HE1  TYR   3           HE1      TYR   3  -0.340  -9.304  -2.831
   20    HE2  TYR   3           HE2      TYR   3  -2.487  -6.636  -5.449
   21    HH   TYR   3           HH       TYR   3  -1.454  -8.527  -6.165
   22    H    CYS   4           H        CYS   4  -3.854  -2.693  -1.720
   23    HA   CYS   4           HA       CYS   4  -5.092  -2.002   0.876
   24    HB2  CYS   4           HB2      CYS   4  -4.812   0.464   0.065
   25    HB3  CYS   4           HB3      CYS   4  -3.522  -0.365   0.902
   26    H    GLN   5           H        GLN   5  -5.443  -2.027  -2.615
   27    HA   GLN   5           HA       GLN   5  -8.353  -1.508  -2.360
   28    HB2  GLN   5           HB2      GLN   5  -7.624  -0.421  -4.197
   29    HB3  GLN   5           HB3      GLN   5  -6.335  -1.550  -4.568
   30    HG2  GLN   5           HG2      GLN   5  -9.223  -2.350  -5.017
   31    HG3  GLN   5           HG3      GLN   5  -8.402  -1.280  -6.142
   32   HE21  GLN   5          HE21      GLN   5  -6.099  -2.098  -6.915
   33   HE22  GLN   5          HE22      GLN   5  -6.035  -3.847  -7.188
   34    H    LYS   6           H        LYS   6  -6.064  -4.120  -2.986
   35    HA   LYS   6           HA       LYS   6  -8.117  -6.158  -3.132
   36    HB2  LYS   6           HB2      LYS   6  -5.753  -6.012  -4.243
   37    HB3  LYS   6           HB3      LYS   6  -5.158  -6.655  -2.701
   38    HG2  LYS   6           HG2      LYS   6  -6.584  -8.646  -2.981
   39    HG3  LYS   6           HG3      LYS   6  -7.315  -7.940  -4.427
   40    HD2  LYS   6           HD2      LYS   6  -5.050  -7.943  -5.523
   41    HD3  LYS   6           HD3      LYS   6  -4.401  -8.797  -4.117
   42    HE2  LYS   6           HE2      LYS   6  -6.738  -9.741  -5.839
   43    HE3  LYS   6           HE3      LYS   6  -5.074 -10.303  -6.041
   44    HZ1  LYS   6           HZ1      LYS   6  -5.152 -11.416  -3.990
   45    HZ2  LYS   6           HZ2      LYS   6  -6.624 -11.709  -4.639
   46    HZ3  LYS   6           HZ3      LYS   6  -6.494 -10.614  -3.458
   47    H    TRP   7           H        TRP   7  -7.173  -4.463  -0.461
   48    HA   TRP   7           HA       TRP   7  -7.439  -6.612   1.552
   49    HB2  TRP   7           HB2      TRP   7  -5.081  -6.632   0.672
   50    HB3  TRP   7           HB3      TRP   7  -4.918  -4.960   1.176
   51    HD1  TRP   7           HD1      TRP   7  -4.662  -4.538   3.838
   52    HE1  TRP   7           HE1      TRP   7  -3.917  -6.063   5.766
   53    HE3  TRP   7           HE3      TRP   7  -5.403  -9.075   1.590
   54    HZ2  TRP   7           HZ2      TRP   7  -3.478  -8.893   6.172
   55    HZ3  TRP   7           HZ3      TRP   7  -4.864 -11.177   2.804
   56    HH2  TRP   7           HH2      TRP   7  -3.901 -11.101   5.084
   57    H    MET   8           H        MET   8  -7.873  -5.727   3.670
   58    HA   MET   8           HA       MET   8  -9.070  -3.096   3.642
   59    HB2  MET   8           HB2      MET   8  -8.580  -5.040   5.922
   60    HB3  MET   8           HB3      MET   8  -9.505  -3.536   6.048
   61    HG2  MET   8           HG2      MET   8 -11.052  -4.364   4.266
   62    HG3  MET   8           HG3      MET   8 -10.175  -5.893   4.258
   63    HE1  MET   8           HE1      MET   8 -13.340  -4.417   5.352
   64    HE2  MET   8           HE2      MET   8 -13.436  -4.560   7.119
   65    HE3  MET   8           HE3      MET   8 -12.309  -3.398   6.384
   66    H    GLN   9           H        GLN   9  -7.352  -1.684   3.086
   67    HA   GLN   9           HA       GLN   9  -5.073  -1.254   4.719
   68    HB2  GLN   9           HB2      GLN   9  -4.676   0.686   3.432
   69    HB3  GLN   9           HB3      GLN   9  -5.319  -0.549   2.370
   70    HG2  GLN   9           HG2      GLN   9  -7.470   0.574   2.218
   71    HG3  GLN   9           HG3      GLN   9  -7.008   1.721   3.476
   72   HE21  GLN   9          HE21      GLN   9  -4.500   2.635   2.744
   73   HE22  GLN   9          HE22      GLN   9  -4.607   3.408   1.177
   74    H    THR  10           H        THR  10  -8.153  -0.643   5.808
   75    HA   THR  10           HA       THR  10  -9.234   0.873   7.080
   76    HB   THR  10           HB       THR  10  -6.724   1.479   8.589
   77    HG1  THR  10           HG1      THR  10  -6.601  -0.544   8.780
   78   HG21  THR  10          HG21      THR  10  -8.389   1.570  10.438
   79   HG22  THR  10          HG22      THR  10  -9.685   1.112   9.323
   80   HG23  THR  10          HG23      THR  10  -8.870   2.676   9.155
   81    H    CYS  11           H        CYS  11  -9.349   1.969   5.030
   82    HA   CYS  11           HA       CYS  11  -7.809   4.344   4.512
   83    HB2  CYS  11           HB2      CYS  11  -9.095   2.779   2.879
   84    HB3  CYS  11           HB3      CYS  11 -10.487   3.804   3.234
   85    H    ASP  12           H        ASP  12  -7.942   5.315   6.565
   86    HA   ASP  12           HA       ASP  12 -10.179   7.078   7.180
   87    HB2  ASP  12           HB2      ASP  12  -7.290   6.898   8.064
   88    HB3  ASP  12           HB3      ASP  12  -8.310   8.280   8.465
   89    H    SER  13           H        SER  13 -10.392   9.278   6.669
   90    HA   SER  13           HA       SER  13  -9.584   9.881   3.996
   91    HB2  SER  13           HB2      SER  13 -11.777  10.395   4.932
   92    HB3  SER  13           HB3      SER  13 -11.068  11.629   5.976
   93    HG   SER  13           HG       SER  13 -10.273  12.612   4.024
   94    H    GLU  14           H        GLU  14  -7.388   9.943   6.084
   95    HA   GLU  14           HA       GLU  14  -6.019  12.421   5.091
   96    HB2  GLU  14           HB2      GLU  14  -4.414  12.121   6.897
   97    HB3  GLU  14           HB3      GLU  14  -6.039  12.348   7.529
   98    HG2  GLU  14           HG2      GLU  14  -6.256   9.905   7.919
   99    HG3  GLU  14           HG3      GLU  14  -4.644   9.647   7.253
  100    H    ARG  15           H        ARG  15  -6.427   9.163   4.463
  101    HA   ARG  15           HA       ARG  15  -3.599   8.492   4.087
  102    HB2  ARG  15           HB2      ARG  15  -5.424   7.126   5.300
  103    HB3  ARG  15           HB3      ARG  15  -5.995   6.667   3.688
  104    HG2  ARG  15           HG2      ARG  15  -3.721   5.666   3.221
  105    HG3  ARG  15           HG3      ARG  15  -3.184   6.225   4.810
  106    HD2  ARG  15           HD2      ARG  15  -5.311   4.950   5.690
  107    HD3  ARG  15           HD3      ARG  15  -5.225   4.089   4.119
  108    HE   ARG  15           HE       ARG  15  -2.720   3.743   4.787
  109   HH11  ARG  15          HH11      ARG  15  -5.404   3.494   7.017
  110   HH12  ARG  15          HH12      ARG  15  -4.371   3.069   8.350
  111   HH21  ARG  15          HH21      ARG  15  -1.492   2.914   6.623
  112   HH22  ARG  15          HH22      ARG  15  -2.395   2.586   8.085
  113    H    LYS  16           H        LYS  16  -2.681   7.735   2.277
  114    HA   LYS  16           HA       LYS  16  -3.729   8.124  -0.392
  115    HB2  LYS  16           HB2      LYS  16  -1.807   6.700  -1.079
  116    HB3  LYS  16           HB3      LYS  16  -1.431   8.155  -0.165
  117    HG2  LYS  16           HG2      LYS  16  -1.130   6.709   1.910
  118    HG3  LYS  16           HG3      LYS  16  -1.361   5.292   0.891
  119    HD2  LYS  16           HD2      LYS  16   1.018   5.745   1.309
  120    HD3  LYS  16           HD3      LYS  16   0.623   5.818  -0.405
  121    HE2  LYS  16           HE2      LYS  16   2.181   7.609   0.202
  122    HE3  LYS  16           HE3      LYS  16   0.650   8.267  -0.368
  123    HZ1  LYS  16           HZ1      LYS  16   0.033   8.568   2.039
  124    HZ2  LYS  16           HZ2      LYS  16   1.313   9.462   1.585
  125    HZ3  LYS  16           HZ3      LYS  16   1.543   8.098   2.460
  126    H    CYS  17           H        CYS  17  -5.722   7.312  -0.523
  127    HA   CYS  17           HA       CYS  17  -6.560   4.573  -0.224
  128    HB2  CYS  17           HB2      CYS  17  -8.198   6.298  -0.646
  129    HB3  CYS  17           HB3      CYS  17  -7.338   6.840  -2.085
  130    H    CYS  18           H        CYS  18  -6.115   2.840  -1.450
  131    HA   CYS  18           HA       CYS  18  -3.755   2.579  -2.636
  132    HB2  CYS  18           HB2      CYS  18  -5.739   0.894  -2.051
  133    HB3  CYS  18           HB3      CYS  18  -5.913   0.867  -3.802
  134    H    GLU  19           H        GLU  19  -6.672   2.972  -4.760
  135    HA   GLU  19           HA       GLU  19  -4.826   3.604  -7.040
  136    HB2  GLU  19           HB2      GLU  19  -7.768   3.099  -7.360
  137    HB3  GLU  19           HB3      GLU  19  -6.486   2.932  -8.530
  138    HG2  GLU  19           HG2      GLU  19  -7.096   1.056  -6.209
  139    HG3  GLU  19           HG3      GLU  19  -7.396   0.763  -7.914
  140    H    GLY  20           H        GLY  20  -6.727   5.196  -4.768
  141    HA2  GLY  20           HA2      GLY  20  -7.133   7.485  -4.626
  142    HA3  GLY  20           HA3      GLY  20  -6.930   7.670  -6.368
  143    H    MET  21           H        MET  21  -9.172   5.199  -5.216
  144    HA   MET  21           HA       MET  21 -11.467   6.757  -6.148
  145    HB2  MET  21           HB2      MET  21 -12.807   4.789  -5.618
  146    HB3  MET  21           HB3      MET  21 -11.533   4.464  -6.759
  147    HG2  MET  21           HG2      MET  21 -11.113   3.897  -3.819
  148    HG3  MET  21           HG3      MET  21 -12.045   2.786  -4.810
  149    HE1  MET  21           HE1      MET  21  -9.555   1.239  -7.296
  150    HE2  MET  21           HE2      MET  21 -11.136   1.110  -6.514
  151    HE3  MET  21           HE3      MET  21 -10.774   2.493  -7.581
  152    H    VAL  22           H        VAL  22 -13.521   6.462  -4.584
  153    HA   VAL  22           HA       VAL  22 -13.113   8.205  -2.372
  154    HB   VAL  22           HB       VAL  22 -15.473   7.367  -1.698
  155   HG11  VAL  22          HG11      VAL  22 -15.034   8.793  -4.341
  156   HG12  VAL  22          HG12      VAL  22 -16.472   8.891  -3.294
  157   HG13  VAL  22          HG13      VAL  22 -14.925   9.527  -2.727
  158   HG21  VAL  22          HG21      VAL  22 -16.844   6.431  -3.434
  159   HG22  VAL  22          HG22      VAL  22 -15.469   6.342  -4.556
  160   HG23  VAL  22          HG23      VAL  22 -15.517   5.305  -3.107
  161    H    CYS  23           H        CYS  23 -12.093   7.783  -0.666
  162    HA   CYS  23           HA       CYS  23 -11.438   5.221   0.426
  163    HB2  CYS  23           HB2      CYS  23 -10.085   7.297   0.293
  164    HB3  CYS  23           HB3      CYS  23 -11.189   8.097   1.391
  165    H    ARG  24           H        ARG  24 -12.806   3.954   1.673
  166    HA   ARG  24           HA       ARG  24 -14.135   5.160   4.054
  167    HB2  ARG  24           HB2      ARG  24 -15.676   3.489   2.011
  168    HB3  ARG  24           HB3      ARG  24 -16.169   3.750   3.666
  169    HG2  ARG  24           HG2      ARG  24 -17.437   5.358   2.799
  170    HG3  ARG  24           HG3      ARG  24 -15.976   6.339   3.026
  171    HD2  ARG  24           HD2      ARG  24 -15.326   5.796   0.640
  172    HD3  ARG  24           HD3      ARG  24 -16.776   4.800   0.491
  173    HE   ARG  24           HE       ARG  24 -18.141   6.699   0.493
  174   HH11  ARG  24          HH11      ARG  24 -14.889   7.755   1.471
  175   HH12  ARG  24          HH12      ARG  24 -15.189   9.369   0.873
  176   HH21  ARG  24          HH21      ARG  24 -18.395   8.786  -0.101
  177   HH22  ARG  24          HH22      ARG  24 -17.095   9.964   0.114
  178    H    LEU  25           H        LEU  25 -12.471   4.087   5.183
  179    HA   LEU  25           HA       LEU  25 -11.366   2.451   6.280
  180    HB2  LEU  25           HB2      LEU  25 -13.888   0.809   5.963
  181    HB3  LEU  25           HB3      LEU  25 -12.574   0.483   7.082
  182    HG   LEU  25           HG       LEU  25 -14.355   2.962   7.147
  183   HD11  LEU  25          HD11      LEU  25 -14.256   0.470   8.882
  184   HD12  LEU  25          HD12      LEU  25 -15.555   0.934   7.770
  185   HD13  LEU  25          HD13      LEU  25 -15.242   1.907   9.219
  186   HD21  LEU  25          HD21      LEU  25 -13.313   3.296   9.406
  187   HD22  LEU  25          HD22      LEU  25 -12.161   3.504   8.095
  188   HD23  LEU  25          HD23      LEU  25 -12.158   1.997   9.040
  189    H    TRP  26           H        TRP  26 -12.434   1.571   3.130
  190    HA   TRP  26           HA       TRP  26  -9.830   0.304   2.639
  191    HB2  TRP  26           HB2      TRP  26 -11.253  -1.408   1.193
  192    HB3  TRP  26           HB3      TRP  26 -10.868  -1.681   2.863
  193    HD1  TRP  26           HD1      TRP  26 -12.729  -2.162   4.474
  194    HE1  TRP  26           HE1      TRP  26 -15.291  -2.078   4.504
  195    HE3  TRP  26           HE3      TRP  26 -13.498   0.451   0.135
  196    HZ2  TRP  26           HZ2      TRP  26 -17.390  -1.037   2.851
  197    HZ3  TRP  26           HZ3      TRP  26 -15.780   1.100  -0.532
  198    HH2  TRP  26           HH2      TRP  26 -17.740   0.388   0.823
  199    H    CYS  27           H        CYS  27  -9.579  -0.032   0.215
  200    HA   CYS  27           HA       CYS  27 -11.365   1.703  -1.405
  201    HB2  CYS  27           HB2      CYS  27  -8.359   1.587  -1.484
  202    HB3  CYS  27           HB3      CYS  27  -9.315   1.992  -2.916
  203    H    LYS  28           H        LYS  28 -12.013  -0.682  -0.680
  204    HA   LYS  28           HA       LYS  28 -11.244  -3.038  -1.700
  205    HB2  LYS  28           HB2      LYS  28 -12.943  -2.625   0.012
  206    HB3  LYS  28           HB3      LYS  28 -14.101  -2.090  -1.201
  207    HG2  LYS  28           HG2      LYS  28 -14.182  -4.325  -2.163
  208    HG3  LYS  28           HG3      LYS  28 -12.869  -4.858  -1.106
  209    HD2  LYS  28           HD2      LYS  28 -14.373  -4.288   0.879
  210    HD3  LYS  28           HD3      LYS  28 -15.697  -4.111  -0.277
  211    HE2  LYS  28           HE2      LYS  28 -13.987  -6.611   0.164
  212    HE3  LYS  28           HE3      LYS  28 -15.615  -6.355   0.796
  213    HZ1  LYS  28           HZ1      LYS  28 -15.720  -7.679  -1.181
  214    HZ2  LYS  28           HZ2      LYS  28 -14.879  -6.603  -2.074
  215    HZ3  LYS  28           HZ3      LYS  28 -16.404  -6.248  -1.533
  216    H    LYS  29           H        LYS  29 -13.955  -1.361  -3.296
  217    HA   LYS  29           HA       LYS  29 -12.256  -0.613  -5.321
  218    HB2  LYS  29           HB2      LYS  29 -13.164  -3.128  -6.098
  219    HB3  LYS  29           HB3      LYS  29 -14.383  -2.091  -6.832
  220    HG2  LYS  29           HG2      LYS  29 -12.453  -0.679  -7.770
  221    HG3  LYS  29           HG3      LYS  29 -11.351  -1.921  -7.173
  222    HD2  LYS  29           HD2      LYS  29 -13.529  -2.199  -9.277
  223    HD3  LYS  29           HD3      LYS  29 -11.802  -2.245  -9.549
  224    HE2  LYS  29           HE2      LYS  29 -13.468  -4.329  -8.093
  225    HE3  LYS  29           HE3      LYS  29 -12.743  -4.469  -9.690
  226    HZ1  LYS  29           HZ1      LYS  29 -10.533  -4.150  -8.500
  227    HZ2  LYS  29           HZ2      LYS  29 -11.320  -5.596  -8.226
  228    HZ3  LYS  29           HZ3      LYS  29 -11.314  -4.439  -7.091
  229    H    LYS  30           H        LYS  30 -13.146   1.103  -6.533
  230    HA   LYS  30           HA       LYS  30 -15.989   1.435  -6.888
  231    HB2  LYS  30           HB2      LYS  30 -15.541   2.367  -4.518
  232    HB3  LYS  30           HB3      LYS  30 -14.731   3.708  -5.288
  233    HG2  LYS  30           HG2      LYS  30 -17.611   2.834  -5.795
  234    HG3  LYS  30           HG3      LYS  30 -17.101   4.069  -4.647
  235    HD2  LYS  30           HD2      LYS  30 -16.310   5.505  -6.510
  236    HD3  LYS  30           HD3      LYS  30 -16.801   4.257  -7.665
  237    HE2  LYS  30           HE2      LYS  30 -18.486   5.966  -7.606
  238    HE3  LYS  30           HE3      LYS  30 -19.114   4.428  -7.024
  239    HZ1  LYS  30           HZ1      LYS  30 -18.882   5.278  -4.735
  240    HZ2  LYS  30           HZ2      LYS  30 -19.895   6.153  -5.658
  241    HZ3  LYS  30           HZ3      LYS  30 -18.424   6.778  -5.339
  242    H    LEU  31           H        LEU  31 -14.793   1.062  -8.960
  243    HA   LEU  31           HA       LEU  31 -14.773   3.588 -10.348
  244    HB2  LEU  31           HB2      LEU  31 -12.407   3.383  -9.615
  245    HB3  LEU  31           HB3      LEU  31 -12.268   1.864 -10.474
  246    HG   LEU  31           HG       LEU  31 -11.232   3.810 -11.591
  247   HD11  LEU  31          HD11      LEU  31 -11.884   3.369 -13.824
  248   HD12  LEU  31          HD12      LEU  31 -13.467   2.765 -13.337
  249   HD13  LEU  31          HD13      LEU  31 -12.012   1.850 -12.920
  250   HD21  LEU  31          HD21      LEU  31 -12.510   5.518 -12.708
  251   HD22  LEU  31          HD22      LEU  31 -12.877   5.547 -10.980
  252   HD23  LEU  31          HD23      LEU  31 -14.039   4.840 -12.128
  253    H    LEU  32           H        LEU  32 -16.139   3.193 -11.993
  254    HA   LEU  32           HA       LEU  32 -17.119   0.651 -12.596
  255    HB2  LEU  32           HB2      LEU  32 -18.424   1.690 -14.241
  256    HB3  LEU  32           HB3      LEU  32 -18.151   2.904 -13.013
  257    HG   LEU  32           HG       LEU  32 -18.037   4.040 -15.004
  258   HD11  LEU  32          HD11      LEU  32 -16.129   4.690 -13.585
  259   HD12  LEU  32          HD12      LEU  32 -15.888   5.009 -15.299
  260   HD13  LEU  32          HD13      LEU  32 -15.074   3.635 -14.559
  261   HD21  LEU  32          HD21      LEU  32 -17.883   2.109 -16.548
  262   HD22  LEU  32          HD22      LEU  32 -16.122   2.122 -16.368
  263   HD23  LEU  32          HD23      LEU  32 -16.951   3.520 -17.037
  Start of MODEL    3
    1    H1   GLY   1           H1       GLY   1   0.346  -4.671   6.003
    2    H2   GLY   1           H2       GLY   1   1.669  -5.089   5.123
    3    H3   GLY   1           H3       GLY   1   0.763  -3.803   4.657
    4    HA2  GLY   1           HA2      GLY   1  -0.112  -6.617   4.682
    5    HA3  GLY   1           HA3      GLY   1  -1.114  -5.229   4.192
    6    HA   PRO   2           HA       PRO   2   2.078  -6.760   0.836
    7    HB2  PRO   2           HB2      PRO   2   0.822  -8.844  -0.450
    8    HB3  PRO   2           HB3      PRO   2   1.871  -9.041   0.985
    9    HG2  PRO   2           HG2      PRO   2  -1.160  -8.839   0.946
   10    HG3  PRO   2           HG3      PRO   2  -0.146 -10.085   1.739
   11    HD2  PRO   2           HD2      PRO   2  -1.078  -7.970   3.128
   12    HD3  PRO   2           HD3      PRO   2   0.587  -8.561   3.395
   13    H    TYR   3           H        TYR   3  -1.318  -6.099   0.850
   14    HA   TYR   3           HA       TYR   3  -1.100  -4.618  -1.694
   15    HB2  TYR   3           HB2      TYR   3  -3.404  -6.455  -0.966
   16    HB3  TYR   3           HB3      TYR   3  -3.409  -5.309  -2.299
   17    HD1  TYR   3           HD1      TYR   3  -2.168  -8.554  -1.085
   18    HD2  TYR   3           HD2      TYR   3  -1.962  -5.682  -4.291
   19    HE1  TYR   3           HE1      TYR   3  -0.861 -10.164  -2.452
   20    HE2  TYR   3           HE2      TYR   3  -0.683  -7.301  -5.662
   21    HH   TYR   3           HH       TYR   3   0.506  -9.285  -5.609
   22    H    CYS   4           H        CYS   4  -3.097  -3.029  -1.837
   23    HA   CYS   4           HA       CYS   4  -3.709  -2.039   0.904
   24    HB2  CYS   4           HB2      CYS   4  -3.681   0.302  -0.242
   25    HB3  CYS   4           HB3      CYS   4  -2.307  -0.423   0.530
   26    H    GLN   5           H        GLN   5  -4.897  -1.335  -2.408
   27    HA   GLN   5           HA       GLN   5  -7.573  -0.872  -1.592
   28    HB2  GLN   5           HB2      GLN   5  -7.281  -0.052  -3.627
   29    HB3  GLN   5           HB3      GLN   5  -6.079  -1.226  -4.112
   30    HG2  GLN   5           HG2      GLN   5  -9.008  -1.993  -4.024
   31    HG3  GLN   5           HG3      GLN   5  -8.359  -1.059  -5.363
   32   HE21  GLN   5          HE21      GLN   5  -5.821  -2.333  -5.835
   33   HE22  GLN   5          HE22      GLN   5  -6.194  -3.980  -6.283
   34    H    LYS   6           H        LYS   6  -6.242  -3.832  -3.058
   35    HA   LYS   6           HA       LYS   6  -8.497  -5.473  -2.468
   36    HB2  LYS   6           HB2      LYS   6  -6.455  -5.648  -4.202
   37    HB3  LYS   6           HB3      LYS   6  -5.750  -6.639  -2.920
   38    HG2  LYS   6           HG2      LYS   6  -7.883  -8.034  -2.976
   39    HG3  LYS   6           HG3      LYS   6  -8.429  -7.045  -4.334
   40    HD2  LYS   6           HD2      LYS   6  -6.349  -7.722  -5.596
   41    HD3  LYS   6           HD3      LYS   6  -5.926  -8.790  -4.255
   42    HE2  LYS   6           HE2      LYS   6  -8.403  -8.969  -6.031
   43    HE3  LYS   6           HE3      LYS   6  -6.998 -10.032  -6.074
   44    HZ1  LYS   6           HZ1      LYS   6  -8.908  -9.811  -3.813
   45    HZ2  LYS   6           HZ2      LYS   6  -7.538 -10.704  -3.778
   46    HZ3  LYS   6           HZ3      LYS   6  -8.734 -11.087  -4.844
   47    H    TRP   7           H        TRP   7  -6.771  -4.157  -0.128
   48    HA   TRP   7           HA       TRP   7  -6.623  -6.578   1.631
   49    HB2  TRP   7           HB2      TRP   7  -4.453  -5.856   0.796
   50    HB3  TRP   7           HB3      TRP   7  -4.745  -4.223   1.366
   51    HD1  TRP   7           HD1      TRP   7  -4.251  -3.718   3.897
   52    HE1  TRP   7           HE1      TRP   7  -3.255  -5.050   5.858
   53    HE3  TRP   7           HE3      TRP   7  -4.311  -8.391   1.815
   54    HZ2  TRP   7           HZ2      TRP   7  -2.447  -7.757   6.395
   55    HZ3  TRP   7           HZ3      TRP   7  -3.516 -10.342   3.127
   56    HH2  TRP   7           HH2      TRP   7  -2.562 -10.034   5.383
   57    H    MET   8           H        MET   8  -8.271  -3.694   1.223
   58    HA   MET   8           HA       MET   8  -9.421  -2.287   2.595
   59    HB2  MET   8           HB2      MET   8  -9.441  -4.607   4.567
   60    HB3  MET   8           HB3      MET   8 -10.466  -3.178   4.618
   61    HG2  MET   8           HG2      MET   8 -11.177  -3.800   2.223
   62    HG3  MET   8           HG3      MET   8 -10.445  -5.375   2.527
   63    HE1  MET   8           HE1      MET   8 -11.103  -5.999   5.555
   64    HE2  MET   8           HE2      MET   8 -12.659  -6.837   5.401
   65    HE3  MET   8           HE3      MET   8 -11.369  -7.156   4.230
   66    H    GLN   9           H        GLN   9  -7.044  -1.517   2.457
   67    HA   GLN   9           HA       GLN   9  -5.298  -1.229   4.557
   68    HB2  GLN   9           HB2      GLN   9  -4.413   0.632   3.208
   69    HB3  GLN   9           HB3      GLN   9  -4.828  -0.751   2.228
   70    HG2  GLN   9           HG2      GLN   9  -6.870   0.273   1.400
   71    HG3  GLN   9           HG3      GLN   9  -6.803   1.552   2.608
   72   HE21  GLN   9          HE21      GLN   9  -4.273   2.562   2.455
   73   HE22  GLN   9          HE22      GLN   9  -4.082   3.283   0.865
   74    H    THR  10           H        THR  10  -7.864  -0.590   5.836
   75    HA   THR  10           HA       THR  10  -8.774   0.869   7.330
   76    HB   THR  10           HB       THR  10  -6.087   1.792   8.232
   77    HG1  THR  10           HG1      THR  10  -6.792  -0.951   8.194
   78   HG21  THR  10          HG21      THR  10  -8.344   0.182   9.488
   79   HG22  THR  10          HG22      THR  10  -8.128   1.948   9.636
   80   HG23  THR  10          HG23      THR  10  -6.961   0.821  10.360
   81    H    CYS  11           H        CYS  11  -9.360   2.044   5.302
   82    HA   CYS  11           HA       CYS  11  -7.846   4.305   4.470
   83    HB2  CYS  11           HB2      CYS  11  -9.346   2.544   3.193
   84    HB3  CYS  11           HB3      CYS  11 -10.571   3.804   3.341
   85    H    ASP  12           H        ASP  12  -7.949   5.314   6.558
   86    HA   ASP  12           HA       ASP  12 -10.103   6.929   7.509
   87    HB2  ASP  12           HB2      ASP  12  -7.137   6.667   7.941
   88    HB3  ASP  12           HB3      ASP  12  -7.991   8.014   8.661
   89    H    SER  13           H        SER  13  -9.608   9.401   7.975
   90    HA   SER  13           HA       SER  13 -10.128  10.761   5.543
   91    HB2  SER  13           HB2      SER  13 -10.901  11.622   7.623
   92    HB3  SER  13           HB3      SER  13  -9.259  11.817   8.235
   93    HG   SER  13           HG       SER  13  -9.161  13.262   6.139
   94    H    GLU  14           H        GLU  14  -6.917  10.277   7.082
   95    HA   GLU  14           HA       GLU  14  -5.624  12.137   5.223
   96    HB2  GLU  14           HB2      GLU  14  -4.873  11.154   7.603
   97    HB3  GLU  14           HB3      GLU  14  -4.216   9.857   6.613
   98    HG2  GLU  14           HG2      GLU  14  -2.428  11.338   6.912
   99    HG3  GLU  14           HG3      GLU  14  -2.979  11.677   5.274
  100    H    ARG  15           H        ARG  15  -6.780   8.873   4.964
  101    HA   ARG  15           HA       ARG  15  -4.192   7.895   4.322
  102    HB2  ARG  15           HB2      ARG  15  -6.191   6.990   5.792
  103    HB3  ARG  15           HB3      ARG  15  -6.604   6.086   4.346
  104    HG2  ARG  15           HG2      ARG  15  -3.792   6.125   5.564
  105    HG3  ARG  15           HG3      ARG  15  -5.054   5.037   6.147
  106    HD2  ARG  15           HD2      ARG  15  -5.206   3.864   4.084
  107    HD3  ARG  15           HD3      ARG  15  -4.298   5.134   3.199
  108    HE   ARG  15           HE       ARG  15  -2.314   4.145   3.843
  109   HH11  ARG  15          HH11      ARG  15  -4.651   2.671   6.015
  110   HH12  ARG  15          HH12      ARG  15  -3.392   2.333   7.199
  111   HH21  ARG  15          HH21      ARG  15  -0.853   3.338   5.216
  112   HH22  ARG  15          HH22      ARG  15  -1.376   2.540   6.698
  113    H    LYS  16           H        LYS  16  -3.372   8.131   2.466
  114    HA   LYS  16           HA       LYS  16  -4.187   8.178  -0.122
  115    HB2  LYS  16           HB2      LYS  16  -1.948   7.181  -0.661
  116    HB3  LYS  16           HB3      LYS  16  -1.924   8.500   0.502
  117    HG2  LYS  16           HG2      LYS  16  -1.854   6.707   2.368
  118    HG3  LYS  16           HG3      LYS  16  -1.533   5.529   1.103
  119    HD2  LYS  16           HD2      LYS  16   0.143   8.028   1.507
  120    HD3  LYS  16           HD3      LYS  16   0.415   6.500   2.362
  121    HE2  LYS  16           HE2      LYS  16   0.668   5.306   0.214
  122    HE3  LYS  16           HE3      LYS  16   0.416   6.821  -0.672
  123    HZ1  LYS  16           HZ1      LYS  16   2.412   7.689   0.249
  124    HZ2  LYS  16           HZ2      LYS  16   2.770   6.177  -0.325
  125    HZ3  LYS  16           HZ3      LYS  16   2.596   6.428   1.299
  126    H    CYS  17           H        CYS  17  -5.902   6.993  -0.872
  127    HA   CYS  17           HA       CYS  17  -5.959   4.119  -0.612
  128    HB2  CYS  17           HB2      CYS  17  -8.034   5.158  -0.883
  129    HB3  CYS  17           HB3      CYS  17  -7.550   5.972  -2.375
  130    H    CYS  18           H        CYS  18  -5.020   2.636  -1.710
  131    HA   CYS  18           HA       CYS  18  -2.869   2.545  -3.289
  132    HB2  CYS  18           HB2      CYS  18  -4.797   0.830  -2.365
  133    HB3  CYS  18           HB3      CYS  18  -5.091   0.724  -4.081
  134    H    GLU  19           H        GLU  19  -6.169   2.639  -4.705
  135    HA   GLU  19           HA       GLU  19  -5.064   3.423  -7.365
  136    HB2  GLU  19           HB2      GLU  19  -7.860   2.443  -7.071
  137    HB3  GLU  19           HB3      GLU  19  -6.754   2.241  -8.412
  138    HG2  GLU  19           HG2      GLU  19  -6.755   0.719  -5.775
  139    HG3  GLU  19           HG3      GLU  19  -7.416   0.146  -7.285
  140    H    GLY  20           H        GLY  20  -6.386   5.007  -4.789
  141    HA2  GLY  20           HA2      GLY  20  -7.565   6.977  -4.554
  142    HA3  GLY  20           HA3      GLY  20  -7.431   7.180  -6.301
  143    H    MET  21           H        MET  21  -9.169   4.372  -5.066
  144    HA   MET  21           HA       MET  21 -11.708   5.313  -6.228
  145    HB2  MET  21           HB2      MET  21 -11.210   2.883  -4.459
  146    HB3  MET  21           HB3      MET  21 -12.632   3.194  -5.433
  147    HG2  MET  21           HG2      MET  21  -9.857   2.787  -6.580
  148    HG3  MET  21           HG3      MET  21 -11.010   1.508  -6.320
  149    HE1  MET  21           HE1      MET  21 -10.561   5.047  -8.156
  150    HE2  MET  21           HE2      MET  21  -9.480   3.741  -8.695
  151    HE3  MET  21           HE3      MET  21 -10.710   4.381  -9.790
  152    H    VAL  22           H        VAL  22 -13.691   4.895  -4.648
  153    HA   VAL  22           HA       VAL  22 -13.906   6.779  -2.595
  154    HB   VAL  22           HB       VAL  22 -15.365   4.117  -2.869
  155   HG11  VAL  22          HG11      VAL  22 -16.131   6.632  -1.321
  156   HG12  VAL  22          HG12      VAL  22 -17.193   5.241  -1.609
  157   HG13  VAL  22          HG13      VAL  22 -15.747   5.030  -0.629
  158   HG21  VAL  22          HG21      VAL  22 -16.134   6.892  -3.855
  159   HG22  VAL  22          HG22      VAL  22 -15.581   5.546  -4.871
  160   HG23  VAL  22          HG23      VAL  22 -17.098   5.401  -3.991
  161    H    CYS  23           H        CYS  23 -12.662   6.953  -0.888
  162    HA   CYS  23           HA       CYS  23 -11.675   4.589   0.617
  163    HB2  CYS  23           HB2      CYS  23 -10.053   6.126  -0.356
  164    HB3  CYS  23           HB3      CYS  23 -10.840   7.496   0.408
  165    H    ARG  24           H        ARG  24 -12.974   4.050   2.245
  166    HA   ARG  24           HA       ARG  24 -13.406   5.849   4.507
  167    HB2  ARG  24           HB2      ARG  24 -15.836   4.578   3.161
  168    HB3  ARG  24           HB3      ARG  24 -15.803   5.208   4.792
  169    HG2  ARG  24           HG2      ARG  24 -16.743   7.008   3.897
  170    HG3  ARG  24           HG3      ARG  24 -15.084   7.487   3.502
  171    HD2  ARG  24           HD2      ARG  24 -15.367   6.361   1.257
  172    HD3  ARG  24           HD3      ARG  24 -16.989   5.847   1.729
  173    HE   ARG  24           HE       ARG  24 -17.749   8.115   1.767
  174   HH11  ARG  24          HH11      ARG  24 -14.370   8.072   0.884
  175   HH12  ARG  24          HH12      ARG  24 -14.563   9.398  -0.270
  176   HH21  ARG  24          HH21      ARG  24 -17.872   9.919   0.421
  177   HH22  ARG  24          HH22      ARG  24 -16.384  10.602  -0.191
  178    H    LEU  25           H        LEU  25 -12.129   4.459   5.672
  179    HA   LEU  25           HA       LEU  25 -11.431   2.669   6.888
  180    HB2  LEU  25           HB2      LEU  25 -14.077   1.277   6.449
  181    HB3  LEU  25           HB3      LEU  25 -12.928   1.028   7.746
  182    HG   LEU  25           HG       LEU  25 -14.598   3.547   7.307
  183   HD11  LEU  25          HD11      LEU  25 -15.935   1.631   8.013
  184   HD12  LEU  25          HD12      LEU  25 -15.834   2.862   9.276
  185   HD13  LEU  25          HD13      LEU  25 -14.859   1.386   9.411
  186   HD21  LEU  25          HD21      LEU  25 -12.430   4.047   8.435
  187   HD22  LEU  25          HD22      LEU  25 -12.781   2.757   9.619
  188   HD23  LEU  25          HD23      LEU  25 -13.789   4.210   9.536
  189    H    TRP  26           H        TRP  26 -12.969   1.722   3.865
  190    HA   TRP  26           HA       TRP  26 -10.523   0.254   3.121
  191    HB2  TRP  26           HB2      TRP  26 -12.101  -1.427   1.950
  192    HB3  TRP  26           HB3      TRP  26 -11.736  -1.569   3.648
  193    HD1  TRP  26           HD1      TRP  26 -13.635  -1.671   5.322
  194    HE1  TRP  26           HE1      TRP  26 -16.189  -1.394   5.270
  195    HE3  TRP  26           HE3      TRP  26 -14.165   0.261   0.601
  196    HZ2  TRP  26           HZ2      TRP  26 -18.171  -0.358   3.491
  197    HZ3  TRP  26           HZ3      TRP  26 -16.402   0.938  -0.218
  198    HH2  TRP  26           HH2      TRP  26 -18.409   0.642   1.205
  199    H    CYS  27           H        CYS  27 -10.654  -0.284   0.641
  200    HA   CYS  27           HA       CYS  27 -11.964   1.813  -0.937
  201    HB2  CYS  27           HB2      CYS  27  -9.843   2.769   0.099
  202    HB3  CYS  27           HB3      CYS  27  -8.931   1.627  -0.892
  203    H    LYS  28           H        LYS  28 -12.993  -0.065  -1.865
  204    HA   LYS  28           HA       LYS  28 -11.353  -2.218  -3.018
  205    HB2  LYS  28           HB2      LYS  28 -14.363  -1.841  -2.787
  206    HB3  LYS  28           HB3      LYS  28 -13.636  -3.107  -3.766
  207    HG2  LYS  28           HG2      LYS  28 -14.157  -4.166  -1.817
  208    HG3  LYS  28           HG3      LYS  28 -12.410  -3.941  -1.729
  209    HD2  LYS  28           HD2      LYS  28 -12.746  -2.052  -0.172
  210    HD3  LYS  28           HD3      LYS  28 -14.500  -2.217  -0.305
  211    HE2  LYS  28           HE2      LYS  28 -12.643  -4.424   0.679
  212    HE3  LYS  28           HE3      LYS  28 -13.446  -3.274   1.760
  213    HZ1  LYS  28           HZ1      LYS  28 -14.645  -5.388   1.534
  214    HZ2  LYS  28           HZ2      LYS  28 -14.915  -5.112  -0.052
  215    HZ3  LYS  28           HZ3      LYS  28 -15.569  -4.115   1.068
  216    H    LYS  29           H        LYS  29 -14.134  -0.843  -4.722
  217    HA   LYS  29           HA       LYS  29 -12.571   0.297  -6.867
  218    HB2  LYS  29           HB2      LYS  29 -12.851  -2.433  -7.082
  219    HB3  LYS  29           HB3      LYS  29 -14.275  -1.918  -7.949
  220    HG2  LYS  29           HG2      LYS  29 -13.051  -0.832  -9.614
  221    HG3  LYS  29           HG3      LYS  29 -11.639  -0.548  -8.597
  222    HD2  LYS  29           HD2      LYS  29 -12.368  -3.393  -9.301
  223    HD3  LYS  29           HD3      LYS  29 -11.596  -2.365 -10.498
  224    HE2  LYS  29           HE2      LYS  29  -9.902  -3.652  -9.384
  225    HE3  LYS  29           HE3      LYS  29  -9.686  -1.940  -9.009
  226    HZ1  LYS  29           HZ1      LYS  29 -10.587  -2.325  -6.814
  227    HZ2  LYS  29           HZ2      LYS  29  -9.485  -3.508  -7.049
  228    HZ3  LYS  29           HZ3      LYS  29 -11.069  -3.841  -7.188
  229    H    LYS  30           H        LYS  30 -13.736   1.749  -7.979
  230    HA   LYS  30           HA       LYS  30 -16.596   1.700  -8.259
  231    HB2  LYS  30           HB2      LYS  30 -16.188   2.403  -5.762
  232    HB3  LYS  30           HB3      LYS  30 -15.566   3.899  -6.424
  233    HG2  LYS  30           HG2      LYS  30 -17.872   4.214  -5.794
  234    HG3  LYS  30           HG3      LYS  30 -17.813   4.245  -7.549
  235    HD2  LYS  30           HD2      LYS  30 -18.302   1.548  -6.992
  236    HD3  LYS  30           HD3      LYS  30 -19.155   2.366  -5.694
  237    HE2  LYS  30           HE2      LYS  30 -20.563   3.562  -7.200
  238    HE3  LYS  30           HE3      LYS  30 -19.466   3.302  -8.564
  239    HZ1  LYS  30           HZ1      LYS  30 -21.358   1.809  -8.735
  240    HZ2  LYS  30           HZ2      LYS  30 -21.013   1.147  -7.250
  241    HZ3  LYS  30           HZ3      LYS  30 -19.977   0.967  -8.517
  242    H    LEU  31           H        LEU  31 -14.726   1.832 -10.209
  243    HA   LEU  31           HA       LEU  31 -15.379   4.322 -11.517
  244    HB2  LEU  31           HB2      LEU  31 -13.294   4.872 -10.136
  245    HB3  LEU  31           HB3      LEU  31 -12.434   3.676 -11.106
  246    HG   LEU  31           HG       LEU  31 -12.843   5.051 -13.148
  247   HD11  LEU  31          HD11      LEU  31 -13.669   7.386 -12.827
  248   HD12  LEU  31          HD12      LEU  31 -14.147   6.972 -11.167
  249   HD13  LEU  31          HD13      LEU  31 -14.932   6.193 -12.562
  250   HD21  LEU  31          HD21      LEU  31 -11.338   6.890 -12.577
  251   HD22  LEU  31          HD22      LEU  31 -10.793   5.378 -11.861
  252   HD23  LEU  31          HD23      LEU  31 -11.599   6.591 -10.841
  253    H    LEU  32           H        LEU  32 -14.801   4.292 -13.832
  254    HA   LEU  32           HA       LEU  32 -14.011   1.640 -14.982
  255    HB2  LEU  32           HB2      LEU  32 -16.128   3.659 -15.960
  256    HB3  LEU  32           HB3      LEU  32 -15.511   2.278 -16.875
  257    HG   LEU  32           HG       LEU  32 -16.263   0.938 -14.627
  258   HD11  LEU  32          HD11      LEU  32 -18.446   1.815 -13.839
  259   HD12  LEU  32          HD12      LEU  32 -18.250   3.264 -14.845
  260   HD13  LEU  32          HD13      LEU  32 -17.174   2.971 -13.465
  261   HD21  LEU  32          HD21      LEU  32 -18.359   0.379 -15.811
  262   HD22  LEU  32          HD22      LEU  32 -17.000   0.446 -16.936
  263   HD23  LEU  32          HD23      LEU  32 -18.149   1.798 -16.872
  Start of MODEL    4
    1    H1   GLY   1           H1       GLY   1   1.931   1.333  -0.078
    2    H2   GLY   1           H2       GLY   1   1.288   0.166   0.906
    3    H3   GLY   1           H3       GLY   1   2.854   0.621   1.082
    4    HA2  GLY   1           HA2      GLY   1   3.384  -0.166  -1.120
    5    HA3  GLY   1           HA3      GLY   1   2.850  -1.454  -0.020
    6    HA   PRO   2           HA       PRO   2   0.337  -1.524  -3.896
    7    HB2  PRO   2           HB2      PRO   2   1.116  -3.827  -5.020
    8    HB3  PRO   2           HB3      PRO   2   2.247  -2.451  -4.856
    9    HG2  PRO   2           HG2      PRO   2   1.981  -4.856  -3.010
   10    HG3  PRO   2           HG3      PRO   2   3.471  -4.237  -3.790
   11    HD2  PRO   2           HD2      PRO   2   2.676  -3.530  -1.237
   12    HD3  PRO   2           HD3      PRO   2   3.623  -2.450  -2.305
   13    H    TYR   3           H        TYR   3   0.085  -3.327  -1.084
   14    HA   TYR   3           HA       TYR   3  -2.390  -4.655  -1.963
   15    HB2  TYR   3           HB2      TYR   3  -1.978  -6.174   0.069
   16    HB3  TYR   3           HB3      TYR   3  -1.348  -6.477  -1.538
   17    HD1  TYR   3           HD1      TYR   3   0.858  -7.145  -1.719
   18    HD2  TYR   3           HD2      TYR   3  -0.292  -4.670   1.623
   19    HE1  TYR   3           HE1      TYR   3   3.176  -7.245  -0.848
   20    HE2  TYR   3           HE2      TYR   3   2.042  -4.754   2.482
   21    HH   TYR   3           HH       TYR   3   4.204  -5.333   1.988
   22    H    CYS   4           H        CYS   4  -3.427  -2.712  -1.810
   23    HA   CYS   4           HA       CYS   4  -4.380  -2.134   0.957
   24    HB2  CYS   4           HB2      CYS   4  -4.593   0.257  -0.180
   25    HB3  CYS   4           HB3      CYS   4  -3.217  -0.284   0.735
   26    H    GLN   5           H        GLN   5  -5.393  -1.355  -2.396
   27    HA   GLN   5           HA       GLN   5  -8.220  -1.528  -1.882
   28    HB2  GLN   5           HB2      GLN   5  -7.604  -0.264  -3.681
   29    HB3  GLN   5           HB3      GLN   5  -6.346  -1.356  -4.228
   30    HG2  GLN   5           HG2      GLN   5  -9.233  -2.164  -4.490
   31    HG3  GLN   5           HG3      GLN   5  -8.537  -0.985  -5.598
   32   HE21  GLN   5          HE21      GLN   5  -6.039  -1.888  -6.410
   33   HE22  GLN   5          HE22      GLN   5  -6.211  -3.544  -6.971
   34    H    LYS   6           H        LYS   6  -5.766  -3.851  -2.479
   35    HA   LYS   6           HA       LYS   6  -7.459  -6.208  -2.714
   36    HB2  LYS   6           HB2      LYS   6  -4.577  -5.462  -2.797
   37    HB3  LYS   6           HB3      LYS   6  -4.842  -6.986  -1.985
   38    HG2  LYS   6           HG2      LYS   6  -6.176  -6.446  -4.661
   39    HG3  LYS   6           HG3      LYS   6  -4.481  -6.934  -4.580
   40    HD2  LYS   6           HD2      LYS   6  -4.997  -8.969  -3.414
   41    HD3  LYS   6           HD3      LYS   6  -6.693  -8.517  -3.205
   42    HE2  LYS   6           HE2      LYS   6  -7.177  -8.751  -5.516
   43    HE3  LYS   6           HE3      LYS   6  -5.459  -8.784  -5.970
   44    HZ1  LYS   6           HZ1      LYS   6  -5.221 -10.928  -5.178
   45    HZ2  LYS   6           HZ2      LYS   6  -6.758 -11.003  -5.795
   46    HZ3  LYS   6           HZ3      LYS   6  -6.527 -10.855  -4.183
   47    H    TRP   7           H        TRP   7  -6.719  -4.317   0.094
   48    HA   TRP   7           HA       TRP   7  -7.241  -6.609   1.859
   49    HB2  TRP   7           HB2      TRP   7  -4.778  -6.635   1.060
   50    HB3  TRP   7           HB3      TRP   7  -4.548  -5.241   2.095
   51    HD1  TRP   7           HD1      TRP   7  -4.037  -5.821   4.609
   52    HE1  TRP   7           HE1      TRP   7  -4.049  -7.974   6.031
   53    HE3  TRP   7           HE3      TRP   7  -6.546  -8.908   1.399
   54    HZ2  TRP   7           HZ2      TRP   7  -5.209 -10.606   5.869
   55    HZ3  TRP   7           HZ3      TRP   7  -7.249 -11.157   2.127
   56    HH2  TRP   7           HH2      TRP   7  -6.548 -12.046   4.341
   57    H    MET   8           H        MET   8  -8.604  -4.120   1.552
   58    HA   MET   8           HA       MET   8  -9.475  -2.444   2.775
   59    HB2  MET   8           HB2      MET   8  -9.352  -4.714   4.790
   60    HB3  MET   8           HB3      MET   8 -10.411  -3.304   4.932
   61    HG2  MET   8           HG2      MET   8 -11.379  -3.858   2.683
   62    HG3  MET   8           HG3      MET   8 -10.465  -5.365   2.702
   63    HE1  MET   8           HE1      MET   8 -10.964  -7.414   4.206
   64    HE2  MET   8           HE2      MET   8 -10.704  -6.456   5.684
   65    HE3  MET   8           HE3      MET   8 -12.172  -7.442   5.511
   66    H    GLN   9           H        GLN   9  -7.258  -1.399   2.625
   67    HA   GLN   9           HA       GLN   9  -5.321  -1.423   4.501
   68    HB2  GLN   9           HB2      GLN   9  -4.364   0.439   3.307
   69    HB3  GLN   9           HB3      GLN   9  -5.255  -0.561   2.169
   70    HG2  GLN   9           HG2      GLN   9  -7.162   1.018   2.210
   71    HG3  GLN   9           HG3      GLN   9  -6.321   2.028   3.379
   72   HE21  GLN   9          HE21      GLN   9  -3.776   2.485   2.414
   73   HE22  GLN   9          HE22      GLN   9  -3.937   3.202   0.822
   74    H    THR  10           H        THR  10  -8.032  -0.367   5.845
   75    HA   THR  10           HA       THR  10  -8.816   1.295   7.184
   76    HB   THR  10           HB       THR  10  -5.995   1.900   8.074
   77    HG1  THR  10           HG1      THR  10  -6.321   0.347   9.574
   78   HG21  THR  10          HG21      THR  10  -8.717   1.984   9.475
   79   HG22  THR  10          HG22      THR  10  -7.859   3.411   8.861
   80   HG23  THR  10          HG23      THR  10  -7.149   2.455  10.158
   81    H    CYS  11           H        CYS  11  -9.398   2.355   5.144
   82    HA   CYS  11           HA       CYS  11  -7.822   4.728   4.470
   83    HB2  CYS  11           HB2      CYS  11  -9.312   3.254   2.876
   84    HB3  CYS  11           HB3      CYS  11 -10.530   4.463   3.287
   85    H    ASP  12           H        ASP  12  -7.775   5.363   6.656
   86    HA   ASP  12           HA       ASP  12  -9.780   7.184   7.733
   87    HB2  ASP  12           HB2      ASP  12  -6.723   7.186   7.807
   88    HB3  ASP  12           HB3      ASP  12  -7.753   8.270   8.724
   89    H    SER  13           H        SER  13  -9.614   9.576   7.449
   90    HA   SER  13           HA       SER  13  -9.421  10.505   4.787
   91    HB2  SER  13           HB2      SER  13 -10.671  11.792   6.283
   92    HB3  SER  13           HB3      SER  13  -9.389  11.811   7.489
   93    HG   SER  13           HG       SER  13  -9.097  13.179   5.001
   94    H    GLU  14           H        GLU  14  -6.815  10.300   7.198
   95    HA   GLU  14           HA       GLU  14  -4.871  11.700   5.516
   96    HB2  GLU  14           HB2      GLU  14  -4.559   9.996   8.002
   97    HB3  GLU  14           HB3      GLU  14  -3.267  10.945   7.278
   98    HG2  GLU  14           HG2      GLU  14  -4.386  13.033   7.728
   99    HG3  GLU  14           HG3      GLU  14  -5.860  12.217   8.249
  100    H    ARG  15           H        ARG  15  -6.211   8.635   5.064
  101    HA   ARG  15           HA       ARG  15  -3.679   7.251   4.490
  102    HB2  ARG  15           HB2      ARG  15  -5.836   6.138   5.492
  103    HB3  ARG  15           HB3      ARG  15  -6.420   6.225   3.846
  104    HG2  ARG  15           HG2      ARG  15  -5.494   4.118   3.788
  105    HG3  ARG  15           HG3      ARG  15  -4.121   5.038   3.210
  106    HD2  ARG  15           HD2      ARG  15  -4.501   3.539   5.761
  107    HD3  ARG  15           HD3      ARG  15  -3.052   3.747   4.772
  108    HE   ARG  15           HE       ARG  15  -2.642   5.909   5.848
  109   HH11  ARG  15          HH11      ARG  15  -5.306   4.150   7.316
  110   HH12  ARG  15          HH12      ARG  15  -5.365   5.206   8.691
  111   HH21  ARG  15          HH21      ARG  15  -2.731   7.164   7.561
  112   HH22  ARG  15          HH22      ARG  15  -3.803   6.784   8.917
  113    H    LYS  16           H        LYS  16  -2.718   7.080   2.645
  114    HA   LYS  16           HA       LYS  16  -3.742   8.159   0.134
  115    HB2  LYS  16           HB2      LYS  16  -1.296   6.501   0.848
  116    HB3  LYS  16           HB3      LYS  16  -1.688   7.032  -0.785
  117    HG2  LYS  16           HG2      LYS  16  -1.748   9.402  -0.011
  118    HG3  LYS  16           HG3      LYS  16  -1.347   8.887   1.621
  119    HD2  LYS  16           HD2      LYS  16   0.599   9.796   0.417
  120    HD3  LYS  16           HD3      LYS  16   0.839   8.138   0.960
  121    HE2  LYS  16           HE2      LYS  16   1.747   8.588  -1.305
  122    HE3  LYS  16           HE3      LYS  16   0.586   7.261  -1.263
  123    HZ1  LYS  16           HZ1      LYS  16  -1.070   8.634  -2.242
  124    HZ2  LYS  16           HZ2      LYS  16   0.279   8.856  -3.124
  125    HZ3  LYS  16           HZ3      LYS  16  -0.211  10.009  -2.036
  126    H    CYS  17           H        CYS  17  -5.657   7.230  -0.346
  127    HA   CYS  17           HA       CYS  17  -6.272   4.473  -0.265
  128    HB2  CYS  17           HB2      CYS  17  -7.933   6.268  -0.451
  129    HB3  CYS  17           HB3      CYS  17  -7.361   6.648  -2.065
  130    H    CYS  18           H        CYS  18  -5.620   2.833  -1.440
  131    HA   CYS  18           HA       CYS  18  -3.486   2.603  -2.958
  132    HB2  CYS  18           HB2      CYS  18  -5.532   0.946  -2.221
  133    HB3  CYS  18           HB3      CYS  18  -5.725   0.920  -3.965
  134    H    GLU  19           H        GLU  19  -6.655   2.969  -4.585
  135    HA   GLU  19           HA       GLU  19  -5.303   4.207  -6.947
  136    HB2  GLU  19           HB2      GLU  19  -7.845   2.867  -7.509
  137    HB3  GLU  19           HB3      GLU  19  -6.384   2.892  -8.443
  138    HG2  GLU  19           HG2      GLU  19  -7.025   1.066  -6.065
  139    HG3  GLU  19           HG3      GLU  19  -7.227   0.664  -7.764
  140    H    GLY  20           H        GLY  20  -6.760   5.364  -4.458
  141    HA2  GLY  20           HA2      GLY  20  -8.295   7.026  -3.959
  142    HA3  GLY  20           HA3      GLY  20  -8.414   7.343  -5.680
  143    H    MET  21           H        MET  21  -9.423   4.376  -5.886
  144    HA   MET  21           HA       MET  21 -12.197   4.888  -5.887
  145    HB2  MET  21           HB2      MET  21 -12.404   2.426  -6.309
  146    HB3  MET  21           HB3      MET  21 -11.389   3.368  -7.395
  147    HG2  MET  21           HG2      MET  21  -9.379   2.548  -6.015
  148    HG3  MET  21           HG3      MET  21 -10.480   1.446  -5.222
  149    HE1  MET  21           HE1      MET  21 -11.009   1.957  -9.294
  150    HE2  MET  21           HE2      MET  21  -9.482   2.714  -8.815
  151    HE3  MET  21           HE3      MET  21  -9.469   1.216  -9.759
  152    H    VAL  22           H        VAL  22 -13.360   5.381  -4.159
  153    HA   VAL  22           HA       VAL  22 -14.637   5.098  -2.394
  154    HB   VAL  22           HB       VAL  22 -14.167   2.149  -2.127
  155   HG11  VAL  22          HG11      VAL  22 -16.688   3.842  -2.153
  156   HG12  VAL  22          HG12      VAL  22 -16.527   2.130  -1.652
  157   HG13  VAL  22          HG13      VAL  22 -15.830   3.403  -0.665
  158   HG21  VAL  22          HG21      VAL  22 -14.305   2.318  -4.514
  159   HG22  VAL  22          HG22      VAL  22 -15.878   1.794  -3.918
  160   HG23  VAL  22          HG23      VAL  22 -15.644   3.489  -4.395
  161    H    CYS  23           H        CYS  23 -12.417   6.274  -1.418
  162    HA   CYS  23           HA       CYS  23 -11.267   4.818   0.777
  163    HB2  CYS  23           HB2      CYS  23 -10.165   6.686  -0.371
  164    HB3  CYS  23           HB3      CYS  23 -11.352   7.794   0.309
  165    H    ARG  24           H        ARG  24 -13.077   3.957   1.881
  166    HA   ARG  24           HA       ARG  24 -13.984   5.663   4.160
  167    HB2  ARG  24           HB2      ARG  24 -15.872   4.203   2.262
  168    HB3  ARG  24           HB3      ARG  24 -16.247   4.384   3.964
  169    HG2  ARG  24           HG2      ARG  24 -17.342   6.233   3.268
  170    HG3  ARG  24           HG3      ARG  24 -15.767   6.944   3.590
  171    HD2  ARG  24           HD2      ARG  24 -16.396   7.743   1.444
  172    HD3  ARG  24           HD3      ARG  24 -15.251   6.454   1.059
  173    HE   ARG  24           HE       ARG  24 -17.827   5.297   1.231
  174   HH11  ARG  24          HH11      ARG  24 -16.440   7.830  -0.828
  175   HH12  ARG  24          HH12      ARG  24 -17.244   7.156  -2.232
  176   HH21  ARG  24          HH21      ARG  24 -19.117   4.915  -0.606
  177   HH22  ARG  24          HH22      ARG  24 -18.704   5.766  -2.088
  178    H    LEU  25           H        LEU  25 -12.505   4.595   5.401
  179    HA   LEU  25           HA       LEU  25 -11.503   3.022   6.657
  180    HB2  LEU  25           HB2      LEU  25 -13.946   1.263   6.341
  181    HB3  LEU  25           HB3      LEU  25 -12.691   1.126   7.562
  182    HG   LEU  25           HG       LEU  25 -14.633   3.467   7.298
  183   HD11  LEU  25          HD11      LEU  25 -15.734   1.379   7.998
  184   HD12  LEU  25          HD12      LEU  25 -15.657   2.535   9.340
  185   HD13  LEU  25          HD13      LEU  25 -14.531   1.166   9.286
  186   HD21  LEU  25          HD21      LEU  25 -12.590   2.793   9.468
  187   HD22  LEU  25          HD22      LEU  25 -13.778   4.112   9.525
  188   HD23  LEU  25          HD23      LEU  25 -12.493   4.159   8.331
  189    H    TRP  26           H        TRP  26 -12.557   1.970   3.516
  190    HA   TRP  26           HA       TRP  26  -9.935   0.709   3.139
  191    HB2  TRP  26           HB2      TRP  26 -11.209  -1.287   1.995
  192    HB3  TRP  26           HB3      TRP  26 -10.876  -1.216   3.716
  193    HD1  TRP  26           HD1      TRP  26 -12.723  -1.469   5.366
  194    HE1  TRP  26           HE1      TRP  26 -15.255  -1.660   5.301
  195    HE3  TRP  26           HE3      TRP  26 -13.462  -0.228   0.455
  196    HZ2  TRP  26           HZ2      TRP  26 -17.382  -1.189   3.377
  197    HZ3  TRP  26           HZ3      TRP  26 -15.767  -0.025  -0.446
  198    HH2  TRP  26           HH2      TRP  26 -17.718  -0.486   1.003
  199    H    CYS  27           H        CYS  27 -10.388  -0.302   0.544
  200    HA   CYS  27           HA       CYS  27 -11.572   1.842  -1.060
  201    HB2  CYS  27           HB2      CYS  27  -8.646   1.026  -1.314
  202    HB3  CYS  27           HB3      CYS  27  -9.540   1.958  -2.515
  203    H    LYS  28           H        LYS  28 -12.426   0.975  -2.966
  204    HA   LYS  28           HA       LYS  28 -12.209  -2.011  -3.214
  205    HB2  LYS  28           HB2      LYS  28 -14.248  -1.088  -1.984
  206    HB3  LYS  28           HB3      LYS  28 -14.852  -0.566  -3.541
  207    HG2  LYS  28           HG2      LYS  28 -14.216  -3.393  -2.606
  208    HG3  LYS  28           HG3      LYS  28 -15.811  -2.709  -2.891
  209    HD2  LYS  28           HD2      LYS  28 -15.305  -2.557  -5.332
  210    HD3  LYS  28           HD3      LYS  28 -13.739  -3.323  -5.045
  211    HE2  LYS  28           HE2      LYS  28 -16.460  -4.594  -4.598
  212    HE3  LYS  28           HE3      LYS  28 -15.322  -4.920  -5.909
  213    HZ1  LYS  28           HZ1      LYS  28 -15.257  -5.838  -3.176
  214    HZ2  LYS  28           HZ2      LYS  28 -13.777  -5.408  -3.795
  215    HZ3  LYS  28           HZ3      LYS  28 -14.684  -6.548  -4.558
  216    H    LYS  29           H        LYS  29 -14.307  -0.164  -5.339
  217    HA   LYS  29           HA       LYS  29 -12.436   0.216  -7.470
  218    HB2  LYS  29           HB2      LYS  29 -12.923  -2.365  -7.443
  219    HB3  LYS  29           HB3      LYS  29 -14.473  -1.923  -8.152
  220    HG2  LYS  29           HG2      LYS  29 -13.378  -0.945 -10.085
  221    HG3  LYS  29           HG3      LYS  29 -11.805  -0.948  -9.280
  222    HD2  LYS  29           HD2      LYS  29 -11.855  -3.443  -9.191
  223    HD3  LYS  29           HD3      LYS  29 -13.348  -3.422 -10.133
  224    HE2  LYS  29           HE2      LYS  29 -10.646  -2.320 -11.027
  225    HE3  LYS  29           HE3      LYS  29 -11.324  -3.888 -11.490
  226    HZ1  LYS  29           HZ1      LYS  29 -12.403  -1.226 -12.218
  227    HZ2  LYS  29           HZ2      LYS  29 -13.218  -2.636 -12.475
  228    HZ3  LYS  29           HZ3      LYS  29 -11.783  -2.355 -13.214
  229    H    LYS  30           H        LYS  30 -13.216   1.804  -8.817
  230    HA   LYS  30           HA       LYS  30 -16.092   2.389  -8.836
  231    HB2  LYS  30           HB2      LYS  30 -14.630   3.313  -6.644
  232    HB3  LYS  30           HB3      LYS  30 -14.627   4.712  -7.686
  233    HG2  LYS  30           HG2      LYS  30 -17.280   3.858  -7.898
  234    HG3  LYS  30           HG3      LYS  30 -16.872   3.306  -6.290
  235    HD2  LYS  30           HD2      LYS  30 -17.574   5.409  -5.744
  236    HD3  LYS  30           HD3      LYS  30 -15.906   5.862  -6.123
  237    HE2  LYS  30           HE2      LYS  30 -16.637   6.262  -8.523
  238    HE3  LYS  30           HE3      LYS  30 -18.292   5.882  -8.046
  239    HZ1  LYS  30           HZ1      LYS  30 -17.918   8.242  -8.079
  240    HZ2  LYS  30           HZ2      LYS  30 -16.717   8.135  -6.957
  241    HZ3  LYS  30           HZ3      LYS  30 -18.299   7.757  -6.581
  242    H    LEU  31           H        LEU  31 -14.333   1.969 -10.946
  243    HA   LEU  31           HA       LEU  31 -14.877   4.442 -12.509
  244    HB2  LEU  31           HB2      LEU  31 -12.507   2.568 -12.605
  245    HB3  LEU  31           HB3      LEU  31 -13.118   3.187 -14.115
  246    HG   LEU  31           HG       LEU  31 -11.266   4.477 -13.345
  247   HD11  LEU  31          HD11      LEU  31 -13.757   6.209 -13.149
  248   HD12  LEU  31          HD12      LEU  31 -13.115   5.548 -14.664
  249   HD13  LEU  31          HD13      LEU  31 -12.138   6.664 -13.721
  250   HD21  LEU  31          HD21      LEU  31 -12.914   5.484 -11.003
  251   HD22  LEU  31          HD22      LEU  31 -11.250   5.906 -11.417
  252   HD23  LEU  31          HD23      LEU  31 -11.625   4.265 -10.869
  253    H    LEU  32           H        LEU  32 -15.352   3.850 -14.842
  254    HA   LEU  32           HA       LEU  32 -17.366   1.612 -14.780
  255    HB2  LEU  32           HB2      LEU  32 -17.407   4.364 -16.144
  256    HB3  LEU  32           HB3      LEU  32 -18.711   3.167 -16.197
  257    HG   LEU  32           HG       LEU  32 -17.712   4.607 -13.672
  258   HD11  LEU  32          HD11      LEU  32 -19.909   5.704 -13.738
  259   HD12  LEU  32          HD12      LEU  32 -20.321   4.838 -15.233
  260   HD13  LEU  32          HD13      LEU  32 -19.005   6.032 -15.222
  261   HD21  LEU  32          HD21      LEU  32 -19.758   3.579 -12.610
  262   HD22  LEU  32          HD22      LEU  32 -18.513   2.393 -12.997
  263   HD23  LEU  32          HD23      LEU  32 -19.943   2.553 -14.044
  Start of MODEL    5
    1    H1   GLY   1           H1       GLY   1   5.503   1.506  -1.756
    2    H2   GLY   1           H2       GLY   1   4.549   0.635  -2.769
    3    H3   GLY   1           H3       GLY   1   4.149   2.190  -2.398
    4    HA2  GLY   1           HA2      GLY   1   4.196  -0.060  -0.482
    5    HA3  GLY   1           HA3      GLY   1   3.810   1.622  -0.089
    6    HA   PRO   2           HA       PRO   2   0.081   0.029  -2.495
    7    HB2  PRO   2           HB2      PRO   2   0.153  -2.160  -3.999
    8    HB3  PRO   2           HB3      PRO   2   1.313  -0.842  -4.316
    9    HG2  PRO   2           HG2      PRO   2   1.803  -3.410  -2.790
   10    HG3  PRO   2           HG3      PRO   2   2.840  -2.641  -4.010
   11    HD2  PRO   2           HD2      PRO   2   3.037  -2.303  -1.202
   12    HD3  PRO   2           HD3      PRO   2   3.808  -1.292  -2.446
   13    H    TYR   3           H        TYR   3  -0.425  -3.215  -2.546
   14    HA   TYR   3           HA       TYR   3  -1.707  -4.602  -1.413
   15    HB2  TYR   3           HB2      TYR   3   0.269  -3.924   0.748
   16    HB3  TYR   3           HB3      TYR   3  -0.845  -5.289   0.814
   17    HD1  TYR   3           HD1      TYR   3   2.365  -4.361  -0.183
   18    HD2  TYR   3           HD2      TYR   3  -0.978  -6.765  -1.447
   19    HE1  TYR   3           HE1      TYR   3   3.835  -5.532  -1.844
   20    HE2  TYR   3           HE2      TYR   3   0.458  -7.850  -3.145
   21    HH   TYR   3           HH       TYR   3   2.396  -7.345  -4.400
   22    H    CYS   4           H        CYS   4  -3.060  -2.305  -1.648
   23    HA   CYS   4           HA       CYS   4  -4.604  -2.158   0.877
   24    HB2  CYS   4           HB2      CYS   4  -4.805   0.307   0.113
   25    HB3  CYS   4           HB3      CYS   4  -3.422  -0.297   0.986
   26    H    GLN   5           H        GLN   5  -5.213  -1.351  -2.620
   27    HA   GLN   5           HA       GLN   5  -8.030  -1.164  -2.259
   28    HB2  GLN   5           HB2      GLN   5  -7.437  -0.140  -4.134
   29    HB3  GLN   5           HB3      GLN   5  -6.127  -1.241  -4.530
   30    HG2  GLN   5           HG2      GLN   5  -9.057  -1.917  -4.979
   31    HG3  GLN   5           HG3      GLN   5  -8.104  -1.035  -6.145
   32   HE21  GLN   5          HE21      GLN   5  -5.745  -2.175  -6.549
   33   HE22  GLN   5          HE22      GLN   5  -5.917  -3.913  -6.823
   34    H    LYS   6           H        LYS   6  -6.038  -3.991  -2.735
   35    HA   LYS   6           HA       LYS   6  -8.271  -5.805  -3.131
   36    HB2  LYS   6           HB2      LYS   6  -5.956  -6.130  -4.004
   37    HB3  LYS   6           HB3      LYS   6  -5.383  -6.399  -2.352
   38    HG2  LYS   6           HG2      LYS   6  -6.727  -8.420  -2.162
   39    HG3  LYS   6           HG3      LYS   6  -7.572  -8.057  -3.666
   40    HD2  LYS   6           HD2      LYS   6  -5.370  -8.327  -4.899
   41    HD3  LYS   6           HD3      LYS   6  -4.649  -8.853  -3.373
   42    HE2  LYS   6           HE2      LYS   6  -6.506 -10.569  -3.196
   43    HE3  LYS   6           HE3      LYS   6  -7.021 -10.129  -4.824
   44    HZ1  LYS   6           HZ1      LYS   6  -5.578 -12.091  -4.744
   45    HZ2  LYS   6           HZ2      LYS   6  -4.379 -11.229  -4.062
   46    HZ3  LYS   6           HZ3      LYS   6  -4.830 -10.923  -5.628
   47    H    TRP   7           H        TRP   7  -7.126  -4.228  -0.291
   48    HA   TRP   7           HA       TRP   7  -7.751  -6.544   1.500
   49    HB2  TRP   7           HB2      TRP   7  -5.436  -6.394   0.232
   50    HB3  TRP   7           HB3      TRP   7  -5.058  -5.163   1.402
   51    HD1  TRP   7           HD1      TRP   7  -4.583  -6.044   3.894
   52    HE1  TRP   7           HE1      TRP   7  -3.986  -8.391   4.827
   53    HE3  TRP   7           HE3      TRP   7  -6.340  -8.919   0.054
   54    HZ2  TRP   7           HZ2      TRP   7  -4.404 -11.134   4.068
   55    HZ3  TRP   7           HZ3      TRP   7  -6.252 -11.398   0.184
   56    HH2  TRP   7           HH2      TRP   7  -5.269 -12.513   2.178
   57    H    MET   8           H        MET   8  -9.339  -4.349   1.769
   58    HA   MET   8           HA       MET   8 -10.154  -2.891   3.394
   59    HB2  MET   8           HB2      MET   8  -8.934  -5.190   4.923
   60    HB3  MET   8           HB3      MET   8 -10.082  -4.040   5.623
   61    HG2  MET   8           HG2      MET   8 -11.821  -4.672   4.106
   62    HG3  MET   8           HG3      MET   8 -10.725  -5.677   3.158
   63    HE1  MET   8           HE1      MET   8 -13.575  -6.695   4.272
   64    HE2  MET   8           HE2      MET   8 -12.473  -7.639   3.258
   65    HE3  MET   8           HE3      MET   8 -13.112  -8.338   4.760
   66    H    GLN   9           H        GLN   9  -7.994  -1.604   2.608
   67    HA   GLN   9           HA       GLN   9  -5.859  -1.282   4.284
   68    HB2  GLN   9           HB2      GLN   9  -5.162   0.380   2.678
   69    HB3  GLN   9           HB3      GLN   9  -6.005  -0.928   1.880
   70    HG2  GLN   9           HG2      GLN   9  -7.672   0.383   1.099
   71    HG3  GLN   9           HG3      GLN   9  -7.862   1.259   2.608
   72   HE21  GLN   9          HE21      GLN   9  -5.850   2.768   3.117
   73   HE22  GLN   9          HE22      GLN   9  -5.258   3.688   1.711
   74    H    THR  10           H        THR  10  -8.219  -0.353   5.927
   75    HA   THR  10           HA       THR  10  -8.856   1.418   7.310
   76    HB   THR  10           HB       THR  10  -5.863   1.293   7.791
   77    HG1  THR  10           HG1      THR  10  -6.294  -0.534   8.890
   78   HG21  THR  10          HG21      THR  10  -8.255   1.762   9.626
   79   HG22  THR  10          HG22      THR  10  -6.958   2.926   9.270
   80   HG23  THR  10          HG23      THR  10  -6.603   1.460  10.191
   81    H    CYS  11           H        CYS  11  -9.182   2.653   5.137
   82    HA   CYS  11           HA       CYS  11  -7.472   4.881   4.607
   83    HB2  CYS  11           HB2      CYS  11  -8.910   3.565   2.988
   84    HB3  CYS  11           HB3      CYS  11 -10.275   4.541   3.539
   85    H    ASP  12           H        ASP  12  -7.338   5.776   6.678
   86    HA   ASP  12           HA       ASP  12  -9.339   7.555   7.742
   87    HB2  ASP  12           HB2      ASP  12  -6.346   7.237   8.044
   88    HB3  ASP  12           HB3      ASP  12  -7.207   8.558   8.817
   89    H    SER  13           H        SER  13  -9.167   9.899   7.858
   90    HA   SER  13           HA       SER  13  -9.337  11.189   5.436
   91    HB2  SER  13           HB2      SER  13 -10.356  12.076   7.374
   92    HB3  SER  13           HB3      SER  13  -8.812  12.269   8.208
   93    HG   SER  13           HG       SER  13  -9.895  14.188   7.052
   94    H    GLU  14           H        GLU  14  -6.307  10.972   7.315
   95    HA   GLU  14           HA       GLU  14  -4.747  12.673   5.502
   96    HB2  GLU  14           HB2      GLU  14  -4.182  10.719   7.750
   97    HB3  GLU  14           HB3      GLU  14  -2.853  11.257   6.746
   98    HG2  GLU  14           HG2      GLU  14  -4.689  13.142   8.258
   99    HG3  GLU  14           HG3      GLU  14  -3.142  12.545   8.858
  100    H    ARG  15           H        ARG  15  -5.909   9.426   5.285
  101    HA   ARG  15           HA       ARG  15  -3.316   8.367   4.522
  102    HB2  ARG  15           HB2      ARG  15  -4.981   7.508   6.266
  103    HB3  ARG  15           HB3      ARG  15  -5.873   6.784   4.937
  104    HG2  ARG  15           HG2      ARG  15  -2.886   6.256   5.093
  105    HG3  ARG  15           HG3      ARG  15  -3.896   5.577   6.373
  106    HD2  ARG  15           HD2      ARG  15  -5.335   4.448   4.727
  107    HD3  ARG  15           HD3      ARG  15  -4.401   5.197   3.386
  108    HE   ARG  15           HE       ARG  15  -2.648   3.680   3.775
  109   HH11  ARG  15          HH11      ARG  15  -4.920   3.361   6.523
  110   HH12  ARG  15          HH12      ARG  15  -3.737   2.336   7.336
  111   HH21  ARG  15          HH21      ARG  15  -1.496   2.215   4.812
  112   HH22  ARG  15          HH22      ARG  15  -1.955   1.695   6.442
  113    H    LYS  16           H        LYS  16  -2.654   7.623   2.664
  114    HA   LYS  16           HA       LYS  16  -3.965   8.281   0.268
  115    HB2  LYS  16           HB2      LYS  16  -2.151   7.192  -0.894
  116    HB3  LYS  16           HB3      LYS  16  -1.551   8.120   0.475
  117    HG2  LYS  16           HG2      LYS  16  -1.445   5.917   1.783
  118    HG3  LYS  16           HG3      LYS  16  -1.755   5.092   0.253
  119    HD2  LYS  16           HD2      LYS  16   0.606   6.916   0.884
  120    HD3  LYS  16           HD3      LYS  16   0.639   5.152   0.796
  121    HE2  LYS  16           HE2      LYS  16   0.000   5.273  -1.618
  122    HE3  LYS  16           HE3      LYS  16   0.031   7.043  -1.525
  123    HZ1  LYS  16           HZ1      LYS  16   2.379   5.270  -1.041
  124    HZ2  LYS  16           HZ2      LYS  16   2.392   6.919  -0.985
  125    HZ3  LYS  16           HZ3      LYS  16   2.125   6.135  -2.393
  126    H    CYS  17           H        CYS  17  -5.402   7.385  -0.980
  127    HA   CYS  17           HA       CYS  17  -6.436   4.690  -0.336
  128    HB2  CYS  17           HB2      CYS  17  -7.939   6.634  -0.407
  129    HB3  CYS  17           HB3      CYS  17  -7.554   6.874  -2.107
  130    H    CYS  18           H        CYS  18  -5.940   2.994  -1.503
  131    HA   CYS  18           HA       CYS  18  -3.681   2.873  -2.783
  132    HB2  CYS  18           HB2      CYS  18  -5.555   1.049  -2.116
  133    HB3  CYS  18           HB3      CYS  18  -5.642   0.929  -3.870
  134    H    GLU  19           H        GLU  19  -6.629   2.700  -4.865
  135    HA   GLU  19           HA       GLU  19  -5.034   3.811  -7.137
  136    HB2  GLU  19           HB2      GLU  19  -7.621   2.519  -7.771
  137    HB3  GLU  19           HB3      GLU  19  -6.138   2.560  -8.668
  138    HG2  GLU  19           HG2      GLU  19  -6.759   0.807  -6.258
  139    HG3  GLU  19           HG3      GLU  19  -6.939   0.327  -7.935
  140    H    GLY  20           H        GLY  20  -6.192   5.473  -4.991
  141    HA2  GLY  20           HA2      GLY  20  -7.612   7.223  -4.615
  142    HA3  GLY  20           HA3      GLY  20  -7.713   7.411  -6.375
  143    H    MET  21           H        MET  21  -8.784   4.588  -4.561
  144    HA   MET  21           HA       MET  21 -11.387   4.602  -5.897
  145    HB2  MET  21           HB2      MET  21  -9.851   2.662  -4.152
  146    HB3  MET  21           HB3      MET  21 -11.485   2.312  -4.706
  147    HG2  MET  21           HG2      MET  21  -9.269   3.017  -6.608
  148    HG3  MET  21           HG3      MET  21  -9.624   1.365  -6.101
  149    HE1  MET  21           HE1      MET  21  -9.546   2.227  -9.212
  150    HE2  MET  21           HE2      MET  21  -9.774   0.607  -8.516
  151    HE3  MET  21           HE3      MET  21 -10.914   1.217  -9.731
  152    H    VAL  22           H        VAL  22 -12.824   3.154  -3.903
  153    HA   VAL  22           HA       VAL  22 -14.185   5.324  -2.668
  154    HB   VAL  22           HB       VAL  22 -14.734   2.396  -2.105
  155   HG11  VAL  22          HG11      VAL  22 -16.544   4.808  -2.487
  156   HG12  VAL  22          HG12      VAL  22 -17.038   3.180  -1.959
  157   HG13  VAL  22          HG13      VAL  22 -16.019   4.193  -0.910
  158   HG21  VAL  22          HG21      VAL  22 -15.563   3.931  -4.583
  159   HG22  VAL  22          HG22      VAL  22 -14.547   2.477  -4.527
  160   HG23  VAL  22          HG23      VAL  22 -16.236   2.374  -4.042
  161    H    CYS  23           H        CYS  23 -12.373   6.164  -1.279
  162    HA   CYS  23           HA       CYS  23 -11.383   4.741   0.959
  163    HB2  CYS  23           HB2      CYS  23 -10.394   6.768  -0.073
  164    HB3  CYS  23           HB3      CYS  23 -11.732   7.715   0.554
  165    H    ARG  24           H        ARG  24 -13.064   3.701   2.058
  166    HA   ARG  24           HA       ARG  24 -13.875   5.230   4.442
  167    HB2  ARG  24           HB2      ARG  24 -16.002   3.558   3.032
  168    HB3  ARG  24           HB3      ARG  24 -16.111   4.296   4.604
  169    HG2  ARG  24           HG2      ARG  24 -17.346   5.799   3.482
  170    HG3  ARG  24           HG3      ARG  24 -15.774   6.581   3.270
  171    HD2  ARG  24           HD2      ARG  24 -15.570   5.385   1.050
  172    HD3  ARG  24           HD3      ARG  24 -17.128   4.610   1.353
  173    HE   ARG  24           HE       ARG  24 -16.890   7.588   1.368
  174   HH11  ARG  24          HH11      ARG  24 -17.970   4.807  -0.437
  175   HH12  ARG  24          HH12      ARG  24 -18.779   5.799  -1.616
  176   HH21  ARG  24          HH21      ARG  24 -18.169   8.745  -0.027
  177   HH22  ARG  24          HH22      ARG  24 -19.114   7.925  -1.245
  178    H    LEU  25           H        LEU  25 -12.268   4.057   5.458
  179    HA   LEU  25           HA       LEU  25 -10.989   2.378   6.259
  180    HB2  LEU  25           HB2      LEU  25 -13.452   0.614   6.165
  181    HB3  LEU  25           HB3      LEU  25 -11.934   0.219   6.945
  182    HG   LEU  25           HG       LEU  25 -13.688   2.575   7.722
  183   HD11  LEU  25          HD11      LEU  25 -14.331   1.222   9.666
  184   HD12  LEU  25          HD12      LEU  25 -13.385  -0.149   9.037
  185   HD13  LEU  25          HD13      LEU  25 -14.813   0.448   8.152
  186   HD21  LEU  25          HD21      LEU  25 -11.366   2.944   8.395
  187   HD22  LEU  25          HD22      LEU  25 -11.281   1.312   9.102
  188   HD23  LEU  25          HD23      LEU  25 -12.336   2.550   9.811
  189    H    TRP  26           H        TRP  26 -13.008   0.568   3.860
  190    HA   TRP  26           HA       TRP  26 -10.566  -0.476   2.616
  191    HB2  TRP  26           HB2      TRP  26 -12.471  -1.161   0.831
  192    HB3  TRP  26           HB3      TRP  26 -12.009  -2.094   2.225
  193    HD1  TRP  26           HD1      TRP  26 -13.814  -2.670   3.926
  194    HE1  TRP  26           HE1      TRP  26 -16.286  -2.090   4.285
  195    HE3  TRP  26           HE3      TRP  26 -14.190   1.241   0.662
  196    HZ2  TRP  26           HZ2      TRP  26 -18.146  -0.097   3.361
  197    HZ3  TRP  26           HZ3      TRP  26 -16.301   2.505   0.474
  198    HH2  TRP  26           HH2      TRP  26 -18.302   1.845   1.809
  199    H    CYS  27           H        CYS  27 -10.311  -0.314   0.277
  200    HA   CYS  27           HA       CYS  27 -11.294   2.122  -1.049
  201    HB2  CYS  27           HB2      CYS  27  -8.380   1.400  -0.758
  202    HB3  CYS  27           HB3      CYS  27  -8.948   2.252  -2.178
  203    H    LYS  28           H        LYS  28 -12.545  -0.091  -1.237
  204    HA   LYS  28           HA       LYS  28 -11.705  -2.114  -3.061
  205    HB2  LYS  28           HB2      LYS  28 -14.171  -2.614  -3.216
  206    HB3  LYS  28           HB3      LYS  28 -13.507  -2.616  -1.586
  207    HG2  LYS  28           HG2      LYS  28 -14.484  -0.473  -1.080
  208    HG3  LYS  28           HG3      LYS  28 -14.975  -0.213  -2.758
  209    HD2  LYS  28           HD2      LYS  28 -16.626  -1.962  -2.642
  210    HD3  LYS  28           HD3      LYS  28 -16.058  -2.498  -1.058
  211    HE2  LYS  28           HE2      LYS  28 -16.870  -0.604   0.065
  212    HE3  LYS  28           HE3      LYS  28 -16.910   0.371  -1.409
  213    HZ1  LYS  28           HZ1      LYS  28 -18.787  -0.886  -2.180
  214    HZ2  LYS  28           HZ2      LYS  28 -19.133  -0.228  -0.731
  215    HZ3  LYS  28           HZ3      LYS  28 -18.818  -1.847  -0.867
  216    H    LYS  29           H        LYS  29 -12.089  -2.479  -5.207
  217    HA   LYS  29           HA       LYS  29 -11.960  -0.349  -7.045
  218    HB2  LYS  29           HB2      LYS  29 -12.701  -3.258  -7.284
  219    HB3  LYS  29           HB3      LYS  29 -12.759  -2.194  -8.695
  220    HG2  LYS  29           HG2      LYS  29 -10.431  -1.758  -8.647
  221    HG3  LYS  29           HG3      LYS  29 -10.255  -2.355  -7.003
  222    HD2  LYS  29           HD2      LYS  29  -9.332  -3.954  -8.656
  223    HD3  LYS  29           HD3      LYS  29 -10.639  -4.639  -7.684
  224    HE2  LYS  29           HE2      LYS  29 -12.227  -4.071  -9.573
  225    HE3  LYS  29           HE3      LYS  29 -10.830  -3.659 -10.568
  226    HZ1  LYS  29           HZ1      LYS  29 -10.864  -6.294  -9.243
  227    HZ2  LYS  29           HZ2      LYS  29 -10.264  -5.885 -10.727
  228    HZ3  LYS  29           HZ3      LYS  29 -11.860  -6.079 -10.516
  229    H    LYS  30           H        LYS  30 -13.393   1.209  -7.282
  230    HA   LYS  30           HA       LYS  30 -15.838   0.517  -8.692
  231    HB2  LYS  30           HB2      LYS  30 -16.432   0.688  -6.149
  232    HB3  LYS  30           HB3      LYS  30 -16.285   2.424  -6.386
  233    HG2  LYS  30           HG2      LYS  30 -18.056   0.655  -8.098
  234    HG3  LYS  30           HG3      LYS  30 -18.604   1.365  -6.583
  235    HD2  LYS  30           HD2      LYS  30 -18.348   3.615  -7.425
  236    HD3  LYS  30           HD3      LYS  30 -17.603   3.036  -8.928
  237    HE2  LYS  30           HE2      LYS  30 -19.626   1.832  -9.553
  238    HE3  LYS  30           HE3      LYS  30 -20.408   2.292  -8.030
  239    HZ1  LYS  30           HZ1      LYS  30 -20.259   4.595  -8.685
  240    HZ2  LYS  30           HZ2      LYS  30 -21.088   3.755  -9.826
  241    HZ3  LYS  30           HZ3      LYS  30 -19.518   4.211 -10.108
  242    H    LEU  31           H        LEU  31 -14.568   1.319 -10.331
  243    HA   LEU  31           HA       LEU  31 -14.811   4.211 -10.710
  244    HB2  LEU  31           HB2      LEU  31 -12.586   4.061  -9.810
  245    HB3  LEU  31           HB3      LEU  31 -12.150   2.749 -10.893
  246    HG   LEU  31           HG       LEU  31 -13.026   5.328 -12.175
  247   HD11  LEU  31          HD11      LEU  31 -10.752   6.277 -11.947
  248   HD12  LEU  31          HD12      LEU  31 -10.330   4.971 -10.822
  249   HD13  LEU  31          HD13      LEU  31 -11.579   6.146 -10.382
  250   HD21  LEU  31          HD21      LEU  31 -12.321   3.386 -13.581
  251   HD22  LEU  31          HD22      LEU  31 -10.763   3.356 -12.744
  252   HD23  LEU  31          HD23      LEU  31 -11.206   4.740 -13.753
  253    H    LEU  32           H        LEU  32 -15.432   4.719 -12.774
  254    HA   LEU  32           HA       LEU  32 -16.087   2.391 -14.510
  255    HB2  LEU  32           HB2      LEU  32 -16.540   5.407 -14.756
  256    HB3  LEU  32           HB3      LEU  32 -17.221   4.195 -15.852
  257    HG   LEU  32           HG       LEU  32 -17.793   4.377 -12.836
  258   HD11  LEU  32          HD11      LEU  32 -18.813   6.202 -14.146
  259   HD12  LEU  32          HD12      LEU  32 -20.049   5.083 -13.566
  260   HD13  LEU  32          HD13      LEU  32 -19.526   5.026 -15.263
  261   HD21  LEU  32          HD21      LEU  32 -19.610   2.719 -13.332
  262   HD22  LEU  32          HD22      LEU  32 -18.006   2.028 -13.541
  263   HD23  LEU  32          HD23      LEU  32 -18.952   2.512 -14.967
  Start of MODEL    6
    1    H1   GLY   1           H1       GLY   1   4.796   2.729   0.322
    2    H2   GLY   1           H2       GLY   1   3.196   3.015   0.029
    3    H3   GLY   1           H3       GLY   1   3.672   1.731   0.966
    4    HA2  GLY   1           HA2      GLY   1   4.213   2.027  -1.903
    5    HA3  GLY   1           HA3      GLY   1   4.705   0.663  -0.871
    6    HA   PRO   2           HA       PRO   2   0.681  -0.369  -2.820
    7    HB2  PRO   2           HB2      PRO   2   1.186  -2.972  -3.478
    8    HB3  PRO   2           HB3      PRO   2   1.918  -1.599  -4.342
    9    HG2  PRO   2           HG2      PRO   2   3.130  -3.214  -2.077
   10    HG3  PRO   2           HG3      PRO   2   3.848  -2.863  -3.683
   11    HD2  PRO   2           HD2      PRO   2   4.421  -1.357  -1.488
   12    HD3  PRO   2           HD3      PRO   2   4.259  -0.614  -3.109
   13    H    TYR   3           H        TYR   3  -0.514  -2.847  -2.483
   14    HA   TYR   3           HA       TYR   3  -1.950  -3.861  -1.188
   15    HB2  TYR   3           HB2      TYR   3   0.457  -4.150   0.491
   16    HB3  TYR   3           HB3      TYR   3  -1.089  -4.712   1.098
   17    HD1  TYR   3           HD1      TYR   3   1.431  -5.224  -1.580
   18    HD2  TYR   3           HD2      TYR   3  -2.325  -6.513   0.104
   19    HE1  TYR   3           HE1      TYR   3   1.611  -7.385  -2.804
   20    HE2  TYR   3           HE2      TYR   3  -2.159  -8.643  -1.150
   21    HH   TYR   3           HH       TYR   3   0.802  -9.665  -2.666
   22    H    CYS   4           H        CYS   4  -3.101  -1.889  -1.418
   23    HA   CYS   4           HA       CYS   4  -4.200  -1.227   1.249
   24    HB2  CYS   4           HB2      CYS   4  -4.795   1.022  -0.168
   25    HB3  CYS   4           HB3      CYS   4  -3.523   0.818   1.021
   26    H    GLN   5           H        GLN   5  -5.301  -0.658  -2.144
   27    HA   GLN   5           HA       GLN   5  -8.034  -0.973  -1.544
   28    HB2  GLN   5           HB2      GLN   5  -7.413   0.087  -3.549
   29    HB3  GLN   5           HB3      GLN   5  -6.425  -1.260  -4.092
   30    HG2  GLN   5           HG2      GLN   5  -9.451  -1.502  -3.841
   31    HG3  GLN   5           HG3      GLN   5  -8.689  -0.803  -5.256
   32   HE21  GLN   5          HE21      GLN   5  -6.887  -2.245  -6.260
   33   HE22  GLN   5          HE22      GLN   5  -7.182  -4.000  -6.217
   34    H    LYS   6           H        LYS   6  -5.758  -3.450  -2.694
   35    HA   LYS   6           HA       LYS   6  -7.537  -5.608  -2.816
   36    HB2  LYS   6           HB2      LYS   6  -5.271  -5.385  -3.823
   37    HB3  LYS   6           HB3      LYS   6  -4.537  -5.641  -2.229
   38    HG2  LYS   6           HG2      LYS   6  -5.433  -7.876  -2.105
   39    HG3  LYS   6           HG3      LYS   6  -6.484  -7.595  -3.498
   40    HD2  LYS   6           HD2      LYS   6  -4.232  -7.239  -4.798
   41    HD3  LYS   6           HD3      LYS   6  -3.499  -8.066  -3.419
   42    HE2  LYS   6           HE2      LYS   6  -5.719  -9.086  -5.250
   43    HE3  LYS   6           HE3      LYS   6  -4.051  -9.653  -5.204
   44    HZ1  LYS   6           HZ1      LYS   6  -6.023  -9.967  -2.993
   45    HZ2  LYS   6           HZ2      LYS   6  -4.473 -10.507  -2.959
   46    HZ3  LYS   6           HZ3      LYS   6  -5.543 -11.132  -4.037
   47    H    TRP   7           H        TRP   7  -6.470  -4.130   0.094
   48    HA   TRP   7           HA       TRP   7  -6.983  -6.601   1.702
   49    HB2  TRP   7           HB2      TRP   7  -4.604  -6.217   0.903
   50    HB3  TRP   7           HB3      TRP   7  -4.569  -4.784   1.910
   51    HD1  TRP   7           HD1      TRP   7  -4.928  -8.605   2.176
   52    HE1  TRP   7           HE1      TRP   7  -4.014  -9.404   4.455
   53    HE3  TRP   7           HE3      TRP   7  -4.218  -4.059   4.415
   54    HZ2  TRP   7           HZ2      TRP   7  -2.908  -8.222   6.821
   55    HZ3  TRP   7           HZ3      TRP   7  -3.279  -3.932   6.724
   56    HH2  TRP   7           HH2      TRP   7  -2.549  -5.990   7.889
   57    H    MET   8           H        MET   8  -8.053  -3.568   1.349
   58    HA   MET   8           HA       MET   8  -9.473  -2.325   2.495
   59    HB2  MET   8           HB2      MET   8  -9.708  -4.747   4.286
   60    HB3  MET   8           HB3      MET   8 -10.781  -3.341   4.362
   61    HG2  MET   8           HG2      MET   8 -11.399  -3.617   2.013
   62    HG3  MET   8           HG3      MET   8 -10.262  -4.953   1.843
   63    HE1  MET   8           HE1      MET   8 -14.479  -5.165   3.627
   64    HE2  MET   8           HE2      MET   8 -13.295  -4.042   4.336
   65    HE3  MET   8           HE3      MET   8 -13.803  -3.866   2.631
   66    H    GLN   9           H        GLN   9  -6.743  -3.125   4.430
   67    HA   GLN   9           HA       GLN   9  -5.184  -1.644   5.075
   68    HB2  GLN   9           HB2      GLN   9  -4.780  -0.112   3.343
   69    HB3  GLN   9           HB3      GLN   9  -5.662  -1.466   2.683
   70    HG2  GLN   9           HG2      GLN   9  -7.320  -0.138   1.895
   71    HG3  GLN   9           HG3      GLN   9  -7.601   0.553   3.477
   72   HE21  GLN   9          HE21      GLN   9  -4.995   1.923   3.764
   73   HE22  GLN   9          HE22      GLN   9  -5.104   3.281   2.639
   74    H    THR  10           H        THR  10  -8.143  -0.372   6.144
   75    HA   THR  10           HA       THR  10  -8.713   1.415   7.443
   76    HB   THR  10           HB       THR  10  -5.902   1.848   8.387
   77    HG1  THR  10           HG1      THR  10  -5.660  -0.011   9.115
   78   HG21  THR  10          HG21      THR  10  -7.781   3.100   9.386
   79   HG22  THR  10          HG22      THR  10  -6.997   2.023  10.555
   80   HG23  THR  10          HG23      THR  10  -8.551   1.560   9.830
   81    H    CYS  11           H        CYS  11  -9.079   2.458   5.368
   82    HA   CYS  11           HA       CYS  11  -7.125   4.395   4.298
   83    HB2  CYS  11           HB2      CYS  11  -8.729   3.031   2.993
   84    HB3  CYS  11           HB3      CYS  11 -10.033   3.810   3.811
   85    H    ASP  12           H        ASP  12  -7.437   5.184   6.871
   86    HA   ASP  12           HA       ASP  12  -9.292   7.303   7.299
   87    HB2  ASP  12           HB2      ASP  12  -6.531   6.699   8.386
   88    HB3  ASP  12           HB3      ASP  12  -7.456   8.109   8.899
   89    H    SER  13           H        SER  13  -8.808   9.576   7.546
   90    HA   SER  13           HA       SER  13  -8.333  10.836   5.087
   91    HB2  SER  13           HB2      SER  13  -9.672  11.647   7.032
   92    HB3  SER  13           HB3      SER  13  -8.176  12.044   7.881
   93    HG   SER  13           HG       SER  13  -7.753  13.620   6.410
   94    H    GLU  14           H        GLU  14  -5.906   9.737   7.242
   95    HA   GLU  14           HA       GLU  14  -3.798  11.524   6.070
   96    HB2  GLU  14           HB2      GLU  14  -3.894   9.915   8.627
   97    HB3  GLU  14           HB3      GLU  14  -2.479  10.810   8.086
   98    HG2  GLU  14           HG2      GLU  14  -3.590  12.938   8.289
   99    HG3  GLU  14           HG3      GLU  14  -5.164  12.188   8.510
  100    H    ARG  15           H        ARG  15  -5.083   8.670   5.324
  101    HA   ARG  15           HA       ARG  15  -2.550   7.133   4.922
  102    HB2  ARG  15           HB2      ARG  15  -5.355   6.447   5.629
  103    HB3  ARG  15           HB3      ARG  15  -4.696   5.421   4.385
  104    HG2  ARG  15           HG2      ARG  15  -2.923   5.929   6.767
  105    HG3  ARG  15           HG3      ARG  15  -4.385   4.986   7.067
  106    HD2  ARG  15           HD2      ARG  15  -3.841   3.348   5.395
  107    HD3  ARG  15           HD3      ARG  15  -2.507   4.375   4.745
  108    HE   ARG  15           HE       ARG  15  -1.158   3.850   6.549
  109   HH11  ARG  15          HH11      ARG  15  -4.204   2.090   6.971
  110   HH12  ARG  15          HH12      ARG  15  -3.635   1.404   8.471
  111   HH21  ARG  15          HH21      ARG  15  -0.743   3.222   8.613
  112   HH22  ARG  15          HH22      ARG  15  -1.814   2.143   9.422
  113    H    LYS  16           H        LYS  16  -1.940   6.307   2.946
  114    HA   LYS  16           HA       LYS  16  -3.031   7.267   0.458
  115    HB2  LYS  16           HB2      LYS  16  -1.745   5.462  -0.567
  116    HB3  LYS  16           HB3      LYS  16  -0.787   6.263   0.674
  117    HG2  LYS  16           HG2      LYS  16  -1.400   4.402   2.274
  118    HG3  LYS  16           HG3      LYS  16  -2.235   3.579   0.965
  119    HD2  LYS  16           HD2      LYS  16  -0.310   3.016  -0.147
  120    HD3  LYS  16           HD3      LYS  16   0.627   4.386   0.462
  121    HE2  LYS  16           HE2      LYS  16  -0.316   2.119   2.258
  122    HE3  LYS  16           HE3      LYS  16   1.203   2.048   1.379
  123    HZ1  LYS  16           HZ1      LYS  16   1.417   2.911   3.658
  124    HZ2  LYS  16           HZ2      LYS  16   0.542   4.260   3.266
  125    HZ3  LYS  16           HZ3      LYS  16   1.978   3.983   2.531
  126    H    CYS  17           H        CYS  17  -4.253   5.922  -1.147
  127    HA   CYS  17           HA       CYS  17  -5.728   3.705   0.111
  128    HB2  CYS  17           HB2      CYS  17  -6.789   6.163   0.114
  129    HB3  CYS  17           HB3      CYS  17  -7.282   5.695  -1.479
  130    H    CYS  18           H        CYS  18  -3.697   3.681  -1.828
  131    HA   CYS  18           HA       CYS  18  -3.005   2.667  -3.664
  132    HB2  CYS  18           HB2      CYS  18  -5.397   1.056  -3.019
  133    HB3  CYS  18           HB3      CYS  18  -4.673   0.832  -4.604
  134    H    GLU  19           H        GLU  19  -6.432   2.805  -4.686
  135    HA   GLU  19           HA       GLU  19  -5.562   4.457  -7.022
  136    HB2  GLU  19           HB2      GLU  19  -8.004   3.469  -7.742
  137    HB3  GLU  19           HB3      GLU  19  -6.460   2.943  -8.311
  138    HG2  GLU  19           HG2      GLU  19  -7.843   1.641  -5.932
  139    HG3  GLU  19           HG3      GLU  19  -8.147   1.182  -7.601
  140    H    GLY  20           H        GLY  20  -7.846   5.599  -7.917
  141    HA2  GLY  20           HA2      GLY  20  -8.605   7.571  -5.846
  142    HA3  GLY  20           HA3      GLY  20  -9.021   7.584  -7.552
  143    H    MET  21           H        MET  21  -9.624   4.524  -6.499
  144    HA   MET  21           HA       MET  21 -12.404   4.483  -6.715
  145    HB2  MET  21           HB2      MET  21 -10.563   2.662  -5.103
  146    HB3  MET  21           HB3      MET  21 -12.230   2.292  -5.524
  147    HG2  MET  21           HG2      MET  21 -10.002   2.703  -7.526
  148    HG3  MET  21           HG3      MET  21 -10.597   1.162  -6.949
  149    HE1  MET  21           HE1      MET  21 -10.442   3.426  -9.591
  150    HE2  MET  21           HE2      MET  21 -11.991   3.524 -10.439
  151    HE3  MET  21           HE3      MET  21 -11.724   4.481  -8.957
  152    H    VAL  22           H        VAL  22 -14.074   4.028  -5.231
  153    HA   VAL  22           HA       VAL  22 -14.574   5.868  -3.289
  154    HB   VAL  22           HB       VAL  22 -15.653   3.033  -3.189
  155   HG11  VAL  22          HG11      VAL  22 -16.800   5.684  -2.191
  156   HG12  VAL  22          HG12      VAL  22 -17.626   4.115  -2.171
  157   HG13  VAL  22          HG13      VAL  22 -16.205   4.353  -1.167
  158   HG21  VAL  22          HG21      VAL  22 -16.661   5.437  -4.744
  159   HG22  VAL  22          HG22      VAL  22 -15.992   3.937  -5.429
  160   HG23  VAL  22          HG23      VAL  22 -17.520   3.890  -4.553
  161    H    CYS  23           H        CYS  23 -13.672   6.393  -1.442
  162    HA   CYS  23           HA       CYS  23 -12.578   4.247   0.321
  163    HB2  CYS  23           HB2      CYS  23 -11.018   6.167  -0.312
  164    HB3  CYS  23           HB3      CYS  23 -12.179   7.286   0.468
  165    H    ARG  24           H        ARG  24 -14.240   3.508   1.551
  166    HA   ARG  24           HA       ARG  24 -14.859   5.339   3.783
  167    HB2  ARG  24           HB2      ARG  24 -16.984   3.687   2.344
  168    HB3  ARG  24           HB3      ARG  24 -17.068   4.082   4.046
  169    HG2  ARG  24           HG2      ARG  24 -18.296   5.818   3.317
  170    HG3  ARG  24           HG3      ARG  24 -16.702   6.589   3.254
  171    HD2  ARG  24           HD2      ARG  24 -16.582   5.950   0.789
  172    HD3  ARG  24           HD3      ARG  24 -18.176   5.208   0.948
  173    HE   ARG  24           HE       ARG  24 -19.168   7.336   1.238
  174   HH11  ARG  24          HH11      ARG  24 -15.638   7.841   1.218
  175   HH12  ARG  24          HH12      ARG  24 -15.909   9.567   1.004
  176   HH21  ARG  24          HH21      ARG  24 -19.263   9.453   1.111
  177   HH22  ARG  24          HH22      ARG  24 -17.804  10.418   0.892
  178    H    LEU  25           H        LEU  25 -13.794   4.428   5.419
  179    HA   LEU  25           HA       LEU  25 -12.373   3.070   6.510
  180    HB2  LEU  25           HB2      LEU  25 -14.801   1.427   6.168
  181    HB3  LEU  25           HB3      LEU  25 -13.347   0.461   6.342
  182    HG   LEU  25           HG       LEU  25 -12.765   1.649   8.417
  183   HD11  LEU  25          HD11      LEU  25 -13.928   3.819   8.006
  184   HD12  LEU  25          HD12      LEU  25 -14.394   3.089   9.547
  185   HD13  LEU  25          HD13      LEU  25 -15.492   2.992   8.155
  186   HD21  LEU  25          HD21      LEU  25 -15.582   0.499   8.371
  187   HD22  LEU  25          HD22      LEU  25 -14.554   0.669   9.810
  188   HD23  LEU  25          HD23      LEU  25 -14.074  -0.426   8.501
  189    H    TRP  26           H        TRP  26 -13.125   1.540   3.382
  190    HA   TRP  26           HA       TRP  26 -10.300   0.628   3.193
  191    HB2  TRP  26           HB2      TRP  26 -11.445  -0.963   1.418
  192    HB3  TRP  26           HB3      TRP  26 -11.449  -1.246   3.130
  193    HD1  TRP  26           HD1      TRP  26 -13.607  -1.679   4.278
  194    HE1  TRP  26           HE1      TRP  26 -16.095  -1.475   3.771
  195    HE3  TRP  26           HE3      TRP  26 -13.327   0.962  -0.105
  196    HZ2  TRP  26           HZ2      TRP  26 -17.749  -0.060   1.899
  197    HZ3  TRP  26           HZ3      TRP  26 -15.378   1.942  -1.075
  198    HH2  TRP  26           HH2      TRP  26 -17.582   1.522  -0.030
  199    H    CYS  27           H        CYS  27 -10.226   0.065   0.437
  200    HA   CYS  27           HA       CYS  27 -11.635   2.131  -0.915
  201    HB2  CYS  27           HB2      CYS  27  -8.618   1.949  -1.236
  202    HB3  CYS  27           HB3      CYS  27  -9.651   2.219  -2.699
  203    H    LYS  28           H        LYS  28 -12.718   1.163  -2.626
  204    HA   LYS  28           HA       LYS  28 -11.811  -1.464  -3.640
  205    HB2  LYS  28           HB2      LYS  28 -14.391  -1.059  -2.087
  206    HB3  LYS  28           HB3      LYS  28 -14.089  -2.394  -3.192
  207    HG2  LYS  28           HG2      LYS  28 -12.494  -1.902  -0.660
  208    HG3  LYS  28           HG3      LYS  28 -13.811  -3.048  -0.856
  209    HD2  LYS  28           HD2      LYS  28 -12.479  -4.148  -2.738
  210    HD3  LYS  28           HD3      LYS  28 -11.117  -3.122  -2.276
  211    HE2  LYS  28           HE2      LYS  28 -11.397  -4.036   0.088
  212    HE3  LYS  28           HE3      LYS  28 -12.552  -5.199  -0.569
  213    HZ1  LYS  28           HZ1      LYS  28 -10.698  -5.874  -2.121
  214    HZ2  LYS  28           HZ2      LYS  28 -10.408  -6.231  -0.530
  215    HZ3  LYS  28           HZ3      LYS  28  -9.703  -4.906  -1.268
  216    H    LYS  29           H        LYS  29 -12.912  -2.225  -5.504
  217    HA   LYS  29           HA       LYS  29 -13.018   0.127  -7.154
  218    HB2  LYS  29           HB2      LYS  29 -13.127  -2.767  -8.045
  219    HB3  LYS  29           HB3      LYS  29 -12.844  -1.344  -9.055
  220    HG2  LYS  29           HG2      LYS  29 -10.917  -0.956  -7.130
  221    HG3  LYS  29           HG3      LYS  29 -11.012  -2.713  -7.124
  222    HD2  LYS  29           HD2      LYS  29 -10.589  -2.696  -9.595
  223    HD3  LYS  29           HD3      LYS  29 -10.465  -0.933  -9.547
  224    HE2  LYS  29           HE2      LYS  29  -8.586  -1.112  -7.902
  225    HE3  LYS  29           HE3      LYS  29  -8.731  -2.878  -7.965
  226    HZ1  LYS  29           HZ1      LYS  29  -7.950  -1.116 -10.216
  227    HZ2  LYS  29           HZ2      LYS  29  -8.244  -2.722 -10.355
  228    HZ3  LYS  29           HZ3      LYS  29  -6.995  -2.220  -9.416
  229    H    LYS  30           H        LYS  30 -14.721   1.306  -7.172
  230    HA   LYS  30           HA       LYS  30 -16.951   0.379  -8.853
  231    HB2  LYS  30           HB2      LYS  30 -17.651   0.165  -6.352
  232    HB3  LYS  30           HB3      LYS  30 -17.555   1.921  -6.292
  233    HG2  LYS  30           HG2      LYS  30 -19.105   1.688  -8.491
  234    HG3  LYS  30           HG3      LYS  30 -19.473   0.122  -7.767
  235    HD2  LYS  30           HD2      LYS  30 -20.143   1.381  -5.647
  236    HD3  LYS  30           HD3      LYS  30 -19.878   2.891  -6.554
  237    HE2  LYS  30           HE2      LYS  30 -21.490   1.845  -8.330
  238    HE3  LYS  30           HE3      LYS  30 -21.928   0.696  -7.069
  239    HZ1  LYS  30           HZ1      LYS  30 -22.496   2.722  -5.681
  240    HZ2  LYS  30           HZ2      LYS  30 -23.452   2.510  -7.005
  241    HZ3  LYS  30           HZ3      LYS  30 -22.260   3.627  -7.043
  242    H    LEU  31           H        LEU  31 -16.598   1.734 -10.536
  243    HA   LEU  31           HA       LEU  31 -16.671   4.622 -10.116
  244    HB2  LEU  31           HB2      LEU  31 -14.209   3.813 -10.022
  245    HB3  LEU  31           HB3      LEU  31 -14.380   3.523 -11.750
  246    HG   LEU  31           HG       LEU  31 -15.211   6.068 -11.793
  247   HD11  LEU  31          HD11      LEU  31 -15.341   6.420  -9.407
  248   HD12  LEU  31          HD12      LEU  31 -14.041   7.421 -10.061
  249   HD13  LEU  31          HD13      LEU  31 -13.647   5.933  -9.190
  250   HD21  LEU  31          HD21      LEU  31 -12.995   6.868 -12.188
  251   HD22  LEU  31          HD22      LEU  31 -13.108   5.232 -12.842
  252   HD23  LEU  31          HD23      LEU  31 -12.266   5.525 -11.301
  253    H    LEU  32           H        LEU  32 -18.632   2.923 -11.241
  254    HA   LEU  32           HA       LEU  32 -18.210   2.916 -14.192
  255    HB2  LEU  32           HB2      LEU  32 -20.375   1.657 -14.202
  256    HB3  LEU  32           HB3      LEU  32 -19.026   0.831 -13.447
  257    HG   LEU  32           HG       LEU  32 -20.717   2.429 -11.525
  258   HD11  LEU  32          HD11      LEU  32 -22.496   0.709 -11.469
  259   HD12  LEU  32          HD12      LEU  32 -21.807  -0.044 -12.927
  260   HD13  LEU  32          HD13      LEU  32 -22.478   1.597 -12.998
  261   HD21  LEU  32          HD21      LEU  32 -19.698  -0.454 -11.526
  262   HD22  LEU  32          HD22      LEU  32 -20.465   0.382 -10.166
  263   HD23  LEU  32          HD23      LEU  32 -18.881   0.914 -10.763
  Start of MODEL    7
    1    H1   GLY   1           H1       GLY   1   4.541  -6.395  -1.569
    2    H2   GLY   1           H2       GLY   1   3.350  -7.428  -2.027
    3    H3   GLY   1           H3       GLY   1   2.967  -5.981  -1.336
    4    HA2  GLY   1           HA2      GLY   1   4.240  -8.303  -0.036
    5    HA3  GLY   1           HA3      GLY   1   4.121  -6.701   0.716
    6    HA   PRO   2           HA       PRO   2  -0.361  -7.532   1.213
    7    HB2  PRO   2           HB2      PRO   2  -1.053  -5.088   2.132
    8    HB3  PRO   2           HB3      PRO   2  -0.232  -6.281   3.182
    9    HG2  PRO   2           HG2      PRO   2   1.050  -4.007   1.618
   10    HG3  PRO   2           HG3      PRO   2   1.198  -4.348   3.372
   11    HD2  PRO   2           HD2      PRO   2   3.024  -5.240   1.564
   12    HD3  PRO   2           HD3      PRO   2   2.588  -6.217   2.984
   13    H    TYR   3           H        TYR   3  -2.086  -6.052   0.285
   14    HA   TYR   3           HA       TYR   3  -1.201  -4.318  -1.935
   15    HB2  TYR   3           HB2      TYR   3  -3.606  -6.142  -2.025
   16    HB3  TYR   3           HB3      TYR   3  -3.341  -4.791  -3.116
   17    HD1  TYR   3           HD1      TYR   3  -2.508  -8.244  -2.471
   18    HD2  TYR   3           HD2      TYR   3  -1.290  -4.685  -4.585
   19    HE1  TYR   3           HE1      TYR   3  -1.085  -9.621  -3.957
   20    HE2  TYR   3           HE2      TYR   3   0.122  -6.064  -6.089
   21    HH   TYR   3           HH       TYR   3   0.105  -9.617  -5.954
   22    H    CYS   4           H        CYS   4  -4.032  -3.199  -2.175
   23    HA   CYS   4           HA       CYS   4  -4.445  -2.218   0.597
   24    HB2  CYS   4           HB2      CYS   4  -4.433   0.178  -0.399
   25    HB3  CYS   4           HB3      CYS   4  -2.972  -0.612   0.145
   26    H    GLN   5           H        GLN   5  -5.651  -1.733  -2.732
   27    HA   GLN   5           HA       GLN   5  -8.412  -1.357  -1.970
   28    HB2  GLN   5           HB2      GLN   5  -8.848  -1.453  -4.278
   29    HB3  GLN   5           HB3      GLN   5  -7.315  -0.624  -4.142
   30    HG2  GLN   5           HG2      GLN   5  -7.776  -3.512  -5.038
   31    HG3  GLN   5           HG3      GLN   5  -7.439  -2.134  -6.048
   32   HE21  GLN   5          HE21      GLN   5  -5.464  -2.280  -6.902
   33   HE22  GLN   5          HE22      GLN   5  -4.055  -2.979  -6.124
   34    H    LYS   6           H        LYS   6  -6.393  -4.136  -2.685
   35    HA   LYS   6           HA       LYS   6  -8.626  -6.060  -2.272
   36    HB2  LYS   6           HB2      LYS   6  -7.018  -6.033  -4.291
   37    HB3  LYS   6           HB3      LYS   6  -5.784  -6.637  -3.184
   38    HG2  LYS   6           HG2      LYS   6  -7.213  -8.639  -2.736
   39    HG3  LYS   6           HG3      LYS   6  -8.464  -7.981  -3.795
   40    HD2  LYS   6           HD2      LYS   6  -6.949  -8.146  -5.719
   41    HD3  LYS   6           HD3      LYS   6  -5.616  -8.635  -4.666
   42    HE2  LYS   6           HE2      LYS   6  -6.938 -10.639  -3.951
   43    HE3  LYS   6           HE3      LYS   6  -8.223 -10.173  -5.079
   44    HZ1  LYS   6           HZ1      LYS   6  -6.754 -11.805  -6.071
   45    HZ2  LYS   6           HZ2      LYS   6  -5.431 -10.837  -5.820
   46    HZ3  LYS   6           HZ3      LYS   6  -6.590 -10.367  -6.872
   47    H    TRP   7           H        TRP   7  -6.809  -4.463  -0.192
   48    HA   TRP   7           HA       TRP   7  -6.384  -6.759   1.689
   49    HB2  TRP   7           HB2      TRP   7  -4.382  -5.667   0.186
   50    HB3  TRP   7           HB3      TRP   7  -4.327  -4.596   1.574
   51    HD1  TRP   7           HD1      TRP   7  -3.663  -5.765   3.920
   52    HE1  TRP   7           HE1      TRP   7  -2.465  -7.948   4.540
   53    HE3  TRP   7           HE3      TRP   7  -3.933  -8.151  -0.604
   54    HZ2  TRP   7           HZ2      TRP   7  -1.781 -10.419   3.273
   55    HZ3  TRP   7           HZ3      TRP   7  -2.941 -10.416  -0.872
   56    HH2  TRP   7           HH2      TRP   7  -1.883 -11.563   1.049
   57    H    MET   8           H        MET   8  -7.932  -3.898   1.270
   58    HA   MET   8           HA       MET   8  -9.035  -2.477   2.564
   59    HB2  MET   8           HB2      MET   8  -8.975  -4.815   4.488
   60    HB3  MET   8           HB3      MET   8 -10.067  -3.425   4.606
   61    HG2  MET   8           HG2      MET   8 -10.930  -3.912   2.318
   62    HG3  MET   8           HG3      MET   8  -9.884  -5.330   2.245
   63    HE1  MET   8           HE1      MET   8 -13.017  -7.400   2.549
   64    HE2  MET   8           HE2      MET   8 -12.817  -5.960   1.537
   65    HE3  MET   8           HE3      MET   8 -11.469  -7.104   1.734
   66    H    GLN   9           H        GLN   9  -6.829  -1.422   2.489
   67    HA   GLN   9           HA       GLN   9  -5.237  -1.021   4.733
   68    HB2  GLN   9           HB2      GLN   9  -4.241   0.790   3.420
   69    HB3  GLN   9           HB3      GLN   9  -4.535  -0.630   2.426
   70    HG2  GLN   9           HG2      GLN   9  -6.401   0.335   1.322
   71    HG3  GLN   9           HG3      GLN   9  -6.638   1.566   2.543
   72   HE21  GLN   9          HE21      GLN   9  -3.409   2.191   2.237
   73   HE22  GLN   9          HE22      GLN   9  -3.646   3.317   0.907
   74    H    THR  10           H        THR  10  -7.833  -0.464   5.898
   75    HA   THR  10           HA       THR  10  -8.967   1.107   7.200
   76    HB   THR  10           HB       THR  10  -6.146   1.796   8.009
   77    HG1  THR  10           HG1      THR  10  -6.334  -0.001   9.320
   78   HG21  THR  10          HG21      THR  10  -8.202   2.952   9.156
   79   HG22  THR  10          HG22      THR  10  -7.029   2.131  10.193
   80   HG23  THR  10          HG23      THR  10  -8.567   1.351   9.793
   81    H    CYS  11           H        CYS  11  -9.524   2.273   5.096
   82    HA   CYS  11           HA       CYS  11  -7.955   4.633   4.446
   83    HB2  CYS  11           HB2      CYS  11  -9.126   2.950   2.882
   84    HB3  CYS  11           HB3      CYS  11 -10.544   3.990   3.077
   85    H    ASP  12           H        ASP  12  -8.094   5.843   6.220
   86    HA   ASP  12           HA       ASP  12 -10.605   7.256   6.979
   87    HB2  ASP  12           HB2      ASP  12  -7.848   7.295   8.267
   88    HB3  ASP  12           HB3      ASP  12  -9.369   7.819   8.981
   89    H    SER  13           H        SER  13  -9.662   9.641   7.942
   90    HA   SER  13           HA       SER  13  -9.298  11.392   5.812
   91    HB2  SER  13           HB2      SER  13  -9.909  12.102   8.074
   92    HB3  SER  13           HB3      SER  13  -8.305  11.670   8.672
   93    HG   SER  13           HG       SER  13  -8.989  13.961   7.904
   94    H    GLU  14           H        GLU  14  -6.649   9.882   7.701
   95    HA   GLU  14           HA       GLU  14  -4.636  11.385   6.162
   96    HB2  GLU  14           HB2      GLU  14  -4.336   9.425   8.466
   97    HB3  GLU  14           HB3      GLU  14  -3.034  10.388   7.780
   98    HG2  GLU  14           HG2      GLU  14  -5.489  11.415   9.253
   99    HG3  GLU  14           HG3      GLU  14  -3.830  11.367   9.844
  100    H    ARG  15           H        ARG  15  -6.183   8.473   5.491
  101    HA   ARG  15           HA       ARG  15  -3.674   7.156   4.614
  102    HB2  ARG  15           HB2      ARG  15  -6.320   6.146   5.365
  103    HB3  ARG  15           HB3      ARG  15  -5.711   5.394   3.894
  104    HG2  ARG  15           HG2      ARG  15  -3.943   5.685   6.367
  105    HG3  ARG  15           HG3      ARG  15  -5.050   4.319   6.190
  106    HD2  ARG  15           HD2      ARG  15  -4.017   3.546   4.176
  107    HD3  ARG  15           HD3      ARG  15  -3.038   5.043   4.022
  108    HE   ARG  15           HE       ARG  15  -1.560   4.286   5.650
  109   HH11  ARG  15          HH11      ARG  15  -4.327   2.074   5.703
  110   HH12  ARG  15          HH12      ARG  15  -3.518   1.009   6.817
  111   HH21  ARG  15          HH21      ARG  15  -0.709   3.012   7.036
  112   HH22  ARG  15          HH22      ARG  15  -1.577   1.600   7.667
  113    H    LYS  16           H        LYS  16  -3.265   6.380   2.634
  114    HA   LYS  16           HA       LYS  16  -4.103   8.198   0.439
  115    HB2  LYS  16           HB2      LYS  16  -1.690   6.381   0.833
  116    HB3  LYS  16           HB3      LYS  16  -1.977   7.377  -0.589
  117    HG2  LYS  16           HG2      LYS  16  -1.904   9.418   0.728
  118    HG3  LYS  16           HG3      LYS  16  -1.800   8.514   2.243
  119    HD2  LYS  16           HD2      LYS  16   0.390   7.637   1.663
  120    HD3  LYS  16           HD3      LYS  16   0.278   8.354   0.046
  121    HE2  LYS  16           HE2      LYS  16   1.708   9.702   1.458
  122    HE3  LYS  16           HE3      LYS  16   0.284  10.606   0.963
  123    HZ1  LYS  16           HZ1      LYS  16   0.793  10.952   3.263
  124    HZ2  LYS  16           HZ2      LYS  16   0.672   9.367   3.642
  125    HZ3  LYS  16           HZ3      LYS  16  -0.664  10.224   3.151
  126    H    CYS  17           H        CYS  17  -5.767   7.457  -0.708
  127    HA   CYS  17           HA       CYS  17  -6.552   4.713  -0.571
  128    HB2  CYS  17           HB2      CYS  17  -7.998   6.795  -0.774
  129    HB3  CYS  17           HB3      CYS  17  -7.620   6.783  -2.488
  130    H    CYS  18           H        CYS  18  -4.951   3.501  -1.337
  131    HA   CYS  18           HA       CYS  18  -3.458   2.565  -2.958
  132    HB2  CYS  18           HB2      CYS  18  -5.441   1.299  -1.929
  133    HB3  CYS  18           HB3      CYS  18  -6.233   1.452  -3.478
  134    H    GLU  19           H        GLU  19  -6.513   3.047  -4.745
  135    HA   GLU  19           HA       GLU  19  -5.027   3.556  -7.263
  136    HB2  GLU  19           HB2      GLU  19  -7.036   1.325  -6.779
  137    HB3  GLU  19           HB3      GLU  19  -6.650   1.936  -8.404
  138    HG2  GLU  19           HG2      GLU  19  -4.255   1.547  -8.011
  139    HG3  GLU  19           HG3      GLU  19  -4.609   0.838  -6.437
  140    H    GLY  20           H        GLY  20  -6.341   5.387  -5.511
  141    HA2  GLY  20           HA2      GLY  20  -7.588   7.255  -5.739
  142    HA3  GLY  20           HA3      GLY  20  -7.681   6.936  -7.470
  143    H    MET  21           H        MET  21  -8.989   4.707  -5.066
  144    HA   MET  21           HA       MET  21 -11.671   4.907  -6.286
  145    HB2  MET  21           HB2      MET  21 -10.583   2.951  -4.229
  146    HB3  MET  21           HB3      MET  21 -12.106   2.813  -5.095
  147    HG2  MET  21           HG2      MET  21  -9.413   2.833  -6.500
  148    HG3  MET  21           HG3      MET  21 -10.216   1.378  -5.950
  149    HE1  MET  21           HE1      MET  21  -9.286   2.508  -9.082
  150    HE2  MET  21           HE2      MET  21  -9.605   0.830  -8.607
  151    HE3  MET  21           HE3      MET  21 -10.495   1.562  -9.963
  152    H    VAL  22           H        VAL  22 -13.363   4.190  -4.343
  153    HA   VAL  22           HA       VAL  22 -13.864   6.521  -2.708
  154    HB   VAL  22           HB       VAL  22 -15.041   3.717  -2.761
  155   HG11  VAL  22          HG11      VAL  22 -16.885   4.656  -1.372
  156   HG12  VAL  22          HG12      VAL  22 -15.369   4.559  -0.482
  157   HG13  VAL  22          HG13      VAL  22 -15.922   6.129  -1.135
  158   HG21  VAL  22          HG21      VAL  22 -16.999   4.951  -3.711
  159   HG22  VAL  22          HG22      VAL  22 -16.057   6.451  -3.670
  160   HG23  VAL  22          HG23      VAL  22 -15.551   5.117  -4.717
  161    H    CYS  23           H        CYS  23 -13.056   6.995  -0.738
  162    HA   CYS  23           HA       CYS  23 -11.526   4.927   0.766
  163    HB2  CYS  23           HB2      CYS  23 -10.399   6.943  -0.172
  164    HB3  CYS  23           HB3      CYS  23 -11.394   7.940   0.871
  165    H    ARG  24           H        ARG  24 -13.381   3.995   1.735
  166    HA   ARG  24           HA       ARG  24 -14.218   5.373   4.238
  167    HB2  ARG  24           HB2      ARG  24 -16.159   4.122   2.240
  168    HB3  ARG  24           HB3      ARG  24 -16.487   4.205   3.959
  169    HG2  ARG  24           HG2      ARG  24 -17.560   6.112   3.368
  170    HG3  ARG  24           HG3      ARG  24 -15.957   6.790   3.698
  171    HD2  ARG  24           HD2      ARG  24 -15.477   6.458   1.185
  172    HD3  ARG  24           HD3      ARG  24 -17.188   6.060   0.998
  173    HE   ARG  24           HE       ARG  24 -16.490   8.537   2.464
  174   HH11  ARG  24          HH11      ARG  24 -17.779   7.389  -0.688
  175   HH12  ARG  24          HH12      ARG  24 -18.220   9.013  -1.067
  176   HH21  ARG  24          HH21      ARG  24 -17.081  10.379   1.835
  177   HH22  ARG  24          HH22      ARG  24 -17.594  10.712   0.178
  178    H    LEU  25           H        LEU  25 -13.146   4.214   5.647
  179    HA   LEU  25           HA       LEU  25 -12.219   2.533   6.826
  180    HB2  LEU  25           HB2      LEU  25 -14.420   0.764   5.671
  181    HB3  LEU  25           HB3      LEU  25 -13.266   0.303   6.904
  182    HG   LEU  25           HG       LEU  25 -14.174   2.292   8.285
  183   HD11  LEU  25          HD11      LEU  25 -16.516   2.867   7.915
  184   HD12  LEU  25          HD12      LEU  25 -16.564   1.852   6.424
  185   HD13  LEU  25          HD13      LEU  25 -15.607   3.331   6.509
  186   HD21  LEU  25          HD21      LEU  25 -15.922   0.877   9.224
  187   HD22  LEU  25          HD22      LEU  25 -14.516  -0.096   8.806
  188   HD23  LEU  25          HD23      LEU  25 -15.938  -0.131   7.745
  189    H    TRP  26           H        TRP  26 -12.632   1.812   3.419
  190    HA   TRP  26           HA       TRP  26  -9.889   0.784   3.214
  191    HB2  TRP  26           HB2      TRP  26 -11.121  -1.120   1.731
  192    HB3  TRP  26           HB3      TRP  26 -10.625  -1.284   3.400
  193    HD1  TRP  26           HD1      TRP  26 -12.325  -2.013   5.103
  194    HE1  TRP  26           HE1      TRP  26 -14.878  -2.232   5.246
  195    HE3  TRP  26           HE3      TRP  26 -13.584   0.435   0.791
  196    HZ2  TRP  26           HZ2      TRP  26 -17.160  -1.375   3.733
  197    HZ3  TRP  26           HZ3      TRP  26 -15.960   0.753   0.192
  198    HH2  TRP  26           HH2      TRP  26 -17.753  -0.191   1.618
  199    H    CYS  27           H        CYS  27  -9.430   0.329   0.774
  200    HA   CYS  27           HA       CYS  27 -10.644   2.534  -0.822
  201    HB2  CYS  27           HB2      CYS  27  -8.236   2.730  -0.195
  202    HB3  CYS  27           HB3      CYS  27  -7.916   1.301  -1.182
  203    H    LYS  28           H        LYS  28 -12.235   0.368  -0.776
  204    HA   LYS  28           HA       LYS  28 -11.577  -1.790  -2.580
  205    HB2  LYS  28           HB2      LYS  28 -14.255  -0.763  -1.562
  206    HB3  LYS  28           HB3      LYS  28 -14.104  -2.193  -2.560
  207    HG2  LYS  28           HG2      LYS  28 -12.732  -1.870   0.126
  208    HG3  LYS  28           HG3      LYS  28 -14.325  -2.585  -0.063
  209    HD2  LYS  28           HD2      LYS  28 -11.828  -3.730  -1.376
  210    HD3  LYS  28           HD3      LYS  28 -12.370  -4.138   0.236
  211    HE2  LYS  28           HE2      LYS  28 -13.240  -5.881  -0.975
  212    HE3  LYS  28           HE3      LYS  28 -14.629  -4.813  -0.816
  213    HZ1  LYS  28           HZ1      LYS  28 -14.293  -4.115  -3.124
  214    HZ2  LYS  28           HZ2      LYS  28 -14.322  -5.717  -3.075
  215    HZ3  LYS  28           HZ3      LYS  28 -12.888  -4.905  -3.240
  216    H    LYS  29           H        LYS  29 -12.041  -2.153  -4.709
  217    HA   LYS  29           HA       LYS  29 -11.995   0.136  -6.410
  218    HB2  LYS  29           HB2      LYS  29 -12.481  -2.778  -7.102
  219    HB3  LYS  29           HB3      LYS  29 -12.226  -1.492  -8.294
  220    HG2  LYS  29           HG2      LYS  29  -9.996  -0.994  -7.289
  221    HG3  LYS  29           HG3      LYS  29 -10.255  -2.260  -6.096
  222    HD2  LYS  29           HD2      LYS  29  -8.798  -3.153  -7.711
  223    HD3  LYS  29           HD3      LYS  29 -10.357  -3.949  -7.932
  224    HE2  LYS  29           HE2      LYS  29 -10.813  -2.529  -9.906
  225    HE3  LYS  29           HE3      LYS  29  -9.326  -1.608  -9.602
  226    HZ1  LYS  29           HZ1      LYS  29  -8.917  -3.252 -11.298
  227    HZ2  LYS  29           HZ2      LYS  29  -9.455  -4.489 -10.344
  228    HZ3  LYS  29           HZ3      LYS  29  -8.077  -3.673  -9.986
  229    H    LYS  30           H        LYS  30 -13.486   1.321  -7.412
  230    HA   LYS  30           HA       LYS  30 -16.361   0.570  -7.284
  231    HB2  LYS  30           HB2      LYS  30 -15.263   1.673  -5.065
  232    HB3  LYS  30           HB3      LYS  30 -15.501   3.151  -5.964
  233    HG2  LYS  30           HG2      LYS  30 -17.492   2.932  -4.711
  234    HG3  LYS  30           HG3      LYS  30 -17.958   2.325  -6.289
  235    HD2  LYS  30           HD2      LYS  30 -18.827   0.689  -4.821
  236    HD3  LYS  30           HD3      LYS  30 -17.312  -0.040  -5.338
  237    HE2  LYS  30           HE2      LYS  30 -17.230  -0.357  -3.026
  238    HE3  LYS  30           HE3      LYS  30 -16.278   1.122  -3.224
  239    HZ1  LYS  30           HZ1      LYS  30 -17.886   1.544  -1.470
  240    HZ2  LYS  30           HZ2      LYS  30 -19.102   0.880  -2.337
  241    HZ3  LYS  30           HZ3      LYS  30 -18.494   2.317  -2.761
  242    H    LEU  31           H        LEU  31 -14.764   1.030  -9.607
  243    HA   LEU  31           HA       LEU  31 -15.574   3.755 -10.530
  244    HB2  LEU  31           HB2      LEU  31 -13.383   3.701  -9.402
  245    HB3  LEU  31           HB3      LEU  31 -12.828   2.465 -10.531
  246    HG   LEU  31           HG       LEU  31 -12.920   4.093 -12.389
  247   HD11  LEU  31          HD11      LEU  31 -14.679   5.601 -11.779
  248   HD12  LEU  31          HD12      LEU  31 -13.203   6.544 -11.721
  249   HD13  LEU  31          HD13      LEU  31 -13.953   5.966 -10.209
  250   HD21  LEU  31          HD21      LEU  31 -11.078   5.566 -11.499
  251   HD22  LEU  31          HD22      LEU  31 -10.864   3.854 -11.129
  252   HD23  LEU  31          HD23      LEU  31 -11.418   4.925  -9.861
  253    H    LEU  32           H        LEU  32 -15.918   4.070 -12.655
  254    HA   LEU  32           HA       LEU  32 -15.361   1.825 -14.620
  255    HB2  LEU  32           HB2      LEU  32 -17.160   4.311 -14.688
  256    HB3  LEU  32           HB3      LEU  32 -16.841   3.310 -16.110
  257    HG   LEU  32           HG       LEU  32 -17.992   2.151 -13.518
  258   HD11  LEU  32          HD11      LEU  32 -19.499   3.924 -14.296
  259   HD12  LEU  32          HD12      LEU  32 -20.214   2.337 -14.612
  260   HD13  LEU  32          HD13      LEU  32 -19.481   3.258 -15.943
  261   HD21  LEU  32          HD21      LEU  32 -18.096   1.177 -16.420
  262   HD22  LEU  32          HD22      LEU  32 -18.808   0.368 -15.007
  263   HD23  LEU  32          HD23      LEU  32 -17.052   0.502 -15.161
  Start of MODEL    8
    1    H1   GLY   1           H1       GLY   1   3.973  -8.812  -2.925
    2    H2   GLY   1           H2       GLY   1   3.838  -7.974  -4.340
    3    H3   GLY   1           H3       GLY   1   5.181  -7.790  -3.393
    4    HA2  GLY   1           HA2      GLY   1   3.919  -6.819  -1.641
    5    HA3  GLY   1           HA3      GLY   1   3.798  -5.892  -3.147
    6    HA   PRO   2           HA       PRO   2  -0.584  -7.377  -2.084
    7    HB2  PRO   2           HB2      PRO   2  -1.279  -6.663   0.443
    8    HB3  PRO   2           HB3      PRO   2  -0.514  -8.239   0.088
    9    HG2  PRO   2           HG2      PRO   2   0.826  -5.693   1.053
   10    HG3  PRO   2           HG3      PRO   2   0.976  -7.340   1.746
   11    HD2  PRO   2           HD2      PRO   2   2.781  -6.303  -0.041
   12    HD3  PRO   2           HD3      PRO   2   2.377  -8.047   0.001
   13    H    TYR   3           H        TYR   3  -2.342  -5.648  -1.311
   14    HA   TYR   3           HA       TYR   3  -1.447  -2.960  -2.286
   15    HB2  TYR   3           HB2      TYR   3  -3.980  -4.185  -3.332
   16    HB3  TYR   3           HB3      TYR   3  -2.865  -3.103  -4.116
   17    HD1  TYR   3           HD1      TYR   3  -3.477  -6.657  -3.154
   18    HD2  TYR   3           HD2      TYR   3  -1.139  -3.976  -5.595
   19    HE1  TYR   3           HE1      TYR   3  -2.536  -8.603  -4.387
   20    HE2  TYR   3           HE2      TYR   3  -0.214  -5.935  -6.825
   21    HH   TYR   3           HH       TYR   3  -0.635  -8.198  -7.289
   22    H    CYS   4           H        CYS   4  -2.355  -1.453  -1.120
   23    HA   CYS   4           HA       CYS   4  -3.917  -1.340   1.046
   24    HB2  CYS   4           HB2      CYS   4  -4.722   0.788  -0.766
   25    HB3  CYS   4           HB3      CYS   4  -3.703   0.825   0.651
   26    H    GLN   5           H        GLN   5  -5.255  -1.291  -2.264
   27    HA   GLN   5           HA       GLN   5  -8.020  -1.117  -1.520
   28    HB2  GLN   5           HB2      GLN   5  -7.180  -0.317  -3.627
   29    HB3  GLN   5           HB3      GLN   5  -6.568  -1.897  -4.084
   30    HG2  GLN   5           HG2      GLN   5  -9.537  -1.611  -3.592
   31    HG3  GLN   5           HG3      GLN   5  -8.853  -0.872  -5.027
   32   HE21  GLN   5          HE21      GLN   5  -7.530  -2.329  -6.481
   33   HE22  GLN   5          HE22      GLN   5  -8.129  -3.994  -6.658
   34    H    LYS   6           H        LYS   6  -6.100  -3.863  -2.719
   35    HA   LYS   6           HA       LYS   6  -8.165  -5.824  -2.271
   36    HB2  LYS   6           HB2      LYS   6  -5.619  -5.642  -3.646
   37    HB3  LYS   6           HB3      LYS   6  -5.681  -7.138  -2.711
   38    HG2  LYS   6           HG2      LYS   6  -7.685  -7.843  -3.795
   39    HG3  LYS   6           HG3      LYS   6  -7.981  -6.232  -4.457
   40    HD2  LYS   6           HD2      LYS   6  -6.190  -6.395  -6.029
   41    HD3  LYS   6           HD3      LYS   6  -5.564  -7.860  -5.267
   42    HE2  LYS   6           HE2      LYS   6  -6.796  -8.401  -7.331
   43    HE3  LYS   6           HE3      LYS   6  -7.544  -9.126  -5.906
   44    HZ1  LYS   6           HZ1      LYS   6  -9.244  -8.137  -7.283
   45    HZ2  LYS   6           HZ2      LYS   6  -8.503  -6.670  -7.284
   46    HZ3  LYS   6           HZ3      LYS   6  -9.159  -7.277  -5.905
   47    H    TRP   7           H        TRP   7  -6.411  -4.402   0.088
   48    HA   TRP   7           HA       TRP   7  -7.108  -6.677   1.845
   49    HB2  TRP   7           HB2      TRP   7  -4.428  -5.443   1.603
   50    HB3  TRP   7           HB3      TRP   7  -4.967  -5.807   3.221
   51    HD1  TRP   7           HD1      TRP   7  -3.678  -7.538   0.151
   52    HE1  TRP   7           HE1      TRP   7  -3.550 -10.084   0.551
   53    HE3  TRP   7           HE3      TRP   7  -6.603  -7.842   4.319
   54    HZ2  TRP   7           HZ2      TRP   7  -4.513 -11.978   2.487
   55    HZ3  TRP   7           HZ3      TRP   7  -7.045 -10.053   5.390
   56    HH2  TRP   7           HH2      TRP   7  -5.963 -12.110   4.512
   57    H    MET   8           H        MET   8  -8.346  -3.878   1.290
   58    HA   MET   8           HA       MET   8  -9.620  -2.453   2.533
   59    HB2  MET   8           HB2      MET   8  -9.733  -4.824   4.438
   60    HB3  MET   8           HB3      MET   8 -10.766  -3.405   4.513
   61    HG2  MET   8           HG2      MET   8 -11.400  -3.924   2.070
   62    HG3  MET   8           HG3      MET   8 -10.681  -5.510   2.343
   63    HE1  MET   8           HE1      MET   8 -13.965  -5.057   1.579
   64    HE2  MET   8           HE2      MET   8 -14.900  -4.511   2.986
   65    HE3  MET   8           HE3      MET   8 -13.667  -3.457   2.280
   66    H    GLN   9           H        GLN   9  -7.288  -1.517   2.690
   67    HA   GLN   9           HA       GLN   9  -5.697  -1.401   4.879
   68    HB2  GLN   9           HB2      GLN   9  -4.781   0.594   3.813
   69    HB3  GLN   9           HB3      GLN   9  -5.188  -0.626   2.626
   70    HG2  GLN   9           HG2      GLN   9  -7.230   0.553   1.974
   71    HG3  GLN   9           HG3      GLN   9  -7.078   1.671   3.329
   72   HE21  GLN   9          HE21      GLN   9  -4.146   2.262   2.984
   73   HE22  GLN   9          HE22      GLN   9  -4.293   3.391   1.630
   74    H    THR  10           H        THR  10  -8.691  -0.355   5.694
   75    HA   THR  10           HA       THR  10  -9.659   1.458   6.757
   76    HB   THR  10           HB       THR  10  -7.014   1.974   8.122
   77    HG1  THR  10           HG1      THR  10  -7.127   0.065   8.826
   78   HG21  THR  10          HG21      THR  10  -9.938   2.114   8.981
   79   HG22  THR  10          HG22      THR  10  -8.903   3.511   8.618
   80   HG23  THR  10          HG23      THR  10  -8.518   2.476   9.991
   81    H    CYS  11           H        CYS  11  -9.808   2.506   4.590
   82    HA   CYS  11           HA       CYS  11  -7.835   4.528   3.911
   83    HB2  CYS  11           HB2      CYS  11  -9.164   3.120   2.322
   84    HB3  CYS  11           HB3      CYS  11 -10.560   4.142   2.709
   85    H    ASP  12           H        ASP  12  -7.858   5.676   5.913
   86    HA   ASP  12           HA       ASP  12 -10.070   7.379   6.712
   87    HB2  ASP  12           HB2      ASP  12  -7.125   7.312   7.448
   88    HB3  ASP  12           HB3      ASP  12  -8.283   8.443   8.144
   89    H    SER  13           H        SER  13 -10.003   9.743   6.846
   90    HA   SER  13           HA       SER  13  -9.580  11.024   4.334
   91    HB2  SER  13           HB2      SER  13 -11.121  11.694   6.221
   92    HB3  SER  13           HB3      SER  13  -9.716  12.332   7.079
   93    HG   SER  13           HG       SER  13  -9.391  13.775   5.350
   94    H    GLU  14           H        GLU  14  -7.276  10.268   6.808
   95    HA   GLU  14           HA       GLU  14  -5.197  11.996   5.522
   96    HB2  GLU  14           HB2      GLU  14  -5.005  10.512   8.146
   97    HB3  GLU  14           HB3      GLU  14  -3.847  11.643   7.456
   98    HG2  GLU  14           HG2      GLU  14  -5.520  13.482   7.709
   99    HG3  GLU  14           HG3      GLU  14  -6.624  12.345   8.484
  100    H    ARG  15           H        ARG  15  -6.304   9.241   4.496
  101    HA   ARG  15           HA       ARG  15  -3.704   7.746   4.500
  102    HB2  ARG  15           HB2      ARG  15  -5.611   6.726   5.764
  103    HB3  ARG  15           HB3      ARG  15  -6.531   6.715   4.275
  104    HG2  ARG  15           HG2      ARG  15  -5.711   4.489   4.765
  105    HG3  ARG  15           HG3      ARG  15  -5.068   5.087   3.252
  106    HD2  ARG  15           HD2      ARG  15  -3.424   3.850   4.741
  107    HD3  ARG  15           HD3      ARG  15  -2.892   5.492   4.266
  108    HE   ARG  15           HE       ARG  15  -3.056   6.184   6.474
  109   HH11  ARG  15          HH11      ARG  15  -4.893   3.063   6.459
  110   HH12  ARG  15          HH12      ARG  15  -5.174   3.335   8.155
  111   HH21  ARG  15          HH21      ARG  15  -3.479   6.210   8.468
  112   HH22  ARG  15          HH22      ARG  15  -4.438   4.919   9.223
  113    H    LYS  16           H        LYS  16  -2.795   7.151   2.666
  114    HA   LYS  16           HA       LYS  16  -3.705   8.038   0.037
  115    HB2  LYS  16           HB2      LYS  16  -1.548   6.004   0.732
  116    HB3  LYS  16           HB3      LYS  16  -1.723   6.875  -0.781
  117    HG2  LYS  16           HG2      LYS  16  -1.045   8.149   1.878
  118    HG3  LYS  16           HG3      LYS  16   0.134   7.626   0.687
  119    HD2  LYS  16           HD2      LYS  16  -0.467   9.315  -0.857
  120    HD3  LYS  16           HD3      LYS  16  -1.970   9.686   0.011
  121    HE2  LYS  16           HE2      LYS  16  -0.736  10.514   1.949
  122    HE3  LYS  16           HE3      LYS  16   0.806  10.034   1.225
  123    HZ1  LYS  16           HZ1      LYS  16  -1.009  12.050   0.030
  124    HZ2  LYS  16           HZ2      LYS  16   0.488  11.647  -0.481
  125    HZ3  LYS  16           HZ3      LYS  16   0.334  12.413   0.947
  126    H    CYS  17           H        CYS  17  -4.131   6.575  -1.798
  127    HA   CYS  17           HA       CYS  17  -4.521   3.729  -1.073
  128    HB2  CYS  17           HB2      CYS  17  -6.726   4.487  -0.853
  129    HB3  CYS  17           HB3      CYS  17  -6.669   5.402  -2.351
  130    H    CYS  18           H        CYS  18  -4.178   2.261  -2.555
  131    HA   CYS  18           HA       CYS  18  -2.121   2.437  -4.360
  132    HB2  CYS  18           HB2      CYS  18  -4.489   0.550  -4.094
  133    HB3  CYS  18           HB3      CYS  18  -3.234   0.281  -5.285
  134    H    GLU  19           H        GLU  19  -5.557   2.827  -5.138
  135    HA   GLU  19           HA       GLU  19  -4.787   3.998  -7.769
  136    HB2  GLU  19           HB2      GLU  19  -7.267   3.266  -8.366
  137    HB3  GLU  19           HB3      GLU  19  -5.872   2.332  -8.778
  138    HG2  GLU  19           HG2      GLU  19  -7.353   1.760  -6.186
  139    HG3  GLU  19           HG3      GLU  19  -8.004   1.220  -7.729
  140    H    GLY  20           H        GLY  20  -6.900   4.270  -4.924
  141    HA2  GLY  20           HA2      GLY  20  -7.484   6.400  -4.022
  142    HA3  GLY  20           HA3      GLY  20  -7.236   7.148  -5.592
  143    H    MET  21           H        MET  21  -9.319   4.700  -4.019
  144    HA   MET  21           HA       MET  21 -11.592   5.455  -5.812
  145    HB2  MET  21           HB2      MET  21 -11.124   2.754  -4.528
  146    HB3  MET  21           HB3      MET  21 -12.236   3.185  -5.839
  147    HG2  MET  21           HG2      MET  21  -9.217   3.012  -5.946
  148    HG3  MET  21           HG3      MET  21 -10.370   1.954  -6.722
  149    HE1  MET  21           HE1      MET  21 -11.807   4.439  -9.528
  150    HE2  MET  21           HE2      MET  21 -12.041   2.855  -8.766
  151    HE3  MET  21           HE3      MET  21 -12.472   4.349  -7.886
  152    H    VAL  22           H        VAL  22 -13.551   3.863  -4.365
  153    HA   VAL  22           HA       VAL  22 -14.397   5.830  -2.472
  154    HB   VAL  22           HB       VAL  22 -15.449   2.995  -2.598
  155   HG11  VAL  22          HG11      VAL  22 -16.244   4.399  -0.686
  156   HG12  VAL  22          HG12      VAL  22 -16.723   5.663  -1.830
  157   HG13  VAL  22          HG13      VAL  22 -17.524   4.066  -1.841
  158   HG21  VAL  22          HG21      VAL  22 -15.518   3.850  -4.883
  159   HG22  VAL  22          HG22      VAL  22 -17.143   3.901  -4.194
  160   HG23  VAL  22          HG23      VAL  22 -16.194   5.397  -4.325
  161    H    CYS  23           H        CYS  23 -14.181   6.016  -0.333
  162    HA   CYS  23           HA       CYS  23 -12.065   4.343   0.936
  163    HB2  CYS  23           HB2      CYS  23 -11.193   6.096  -0.513
  164    HB3  CYS  23           HB3      CYS  23 -12.196   7.300   0.279
  165    H    ARG  24           H        ARG  24 -13.357   3.589   2.622
  166    HA   ARG  24           HA       ARG  24 -13.203   5.155   5.031
  167    HB2  ARG  24           HB2      ARG  24 -15.959   3.910   4.760
  168    HB3  ARG  24           HB3      ARG  24 -15.339   5.010   5.947
  169    HG2  ARG  24           HG2      ARG  24 -16.957   6.208   4.848
  170    HG3  ARG  24           HG3      ARG  24 -15.476   6.843   4.130
  171    HD2  ARG  24           HD2      ARG  24 -15.837   5.295   2.153
  172    HD3  ARG  24           HD3      ARG  24 -17.181   4.532   3.007
  173    HE   ARG  24           HE       ARG  24 -18.544   6.310   2.484
  174   HH11  ARG  24          HH11      ARG  24 -15.225   7.433   2.034
  175   HH12  ARG  24          HH12      ARG  24 -15.761   8.856   1.173
  176   HH21  ARG  24          HH21      ARG  24 -19.099   8.160   1.569
  177   HH22  ARG  24          HH22      ARG  24 -17.914   9.325   0.996
  178    H    LEU  25           H        LEU  25 -12.540   3.566   6.543
  179    HA   LEU  25           HA       LEU  25 -11.880   1.581   7.392
  180    HB2  LEU  25           HB2      LEU  25 -14.566   0.585   6.375
  181    HB3  LEU  25           HB3      LEU  25 -13.474  -0.305   7.416
  182    HG   LEU  25           HG       LEU  25 -13.646   1.631   9.089
  183   HD11  LEU  25          HD11      LEU  25 -15.871   2.836   8.996
  184   HD12  LEU  25          HD12      LEU  25 -16.057   2.280   7.321
  185   HD13  LEU  25          HD13      LEU  25 -14.736   3.385   7.780
  186   HD21  LEU  25          HD21      LEU  25 -14.701  -0.556   9.415
  187   HD22  LEU  25          HD22      LEU  25 -16.114  -0.030   8.469
  188   HD23  LEU  25          HD23      LEU  25 -15.733   0.742  10.024
  189    H    TRP  26           H        TRP  26 -12.532   1.501   4.025
  190    HA   TRP  26           HA       TRP  26 -10.289  -0.275   3.378
  191    HB2  TRP  26           HB2      TRP  26 -11.996  -1.316   1.666
  192    HB3  TRP  26           HB3      TRP  26 -11.910  -1.890   3.308
  193    HD1  TRP  26           HD1      TRP  26 -13.954  -1.913   4.750
  194    HE1  TRP  26           HE1      TRP  26 -16.329  -0.981   4.680
  195    HE3  TRP  26           HE3      TRP  26 -13.583   1.019   0.548
  196    HZ2  TRP  26           HZ2      TRP  26 -17.887   0.767   3.024
  197    HZ3  TRP  26           HZ3      TRP  26 -15.515   2.325  -0.212
  198    HH2  TRP  26           HH2      TRP  26 -17.675   2.254   1.029
  199    H    CYS  27           H        CYS  27  -9.926  -0.194   0.937
  200    HA   CYS  27           HA       CYS  27 -11.067   2.227  -0.338
  201    HB2  CYS  27           HB2      CYS  27  -8.655   2.572   0.064
  202    HB3  CYS  27           HB3      CYS  27  -8.310   1.117  -0.868
  203    H    LYS  28           H        LYS  28 -12.388   1.620  -2.011
  204    HA   LYS  28           HA       LYS  28 -12.064  -1.102  -3.235
  205    HB2  LYS  28           HB2      LYS  28 -14.627   0.042  -2.067
  206    HB3  LYS  28           HB3      LYS  28 -14.524  -1.441  -3.003
  207    HG2  LYS  28           HG2      LYS  28 -13.142  -0.981  -0.333
  208    HG3  LYS  28           HG3      LYS  28 -14.693  -1.770  -0.527
  209    HD2  LYS  28           HD2      LYS  28 -12.053  -2.798  -1.650
  210    HD3  LYS  28           HD3      LYS  28 -12.807  -3.316  -0.142
  211    HE2  LYS  28           HE2      LYS  28 -14.843  -4.025  -1.477
  212    HE3  LYS  28           HE3      LYS  28 -13.922  -3.673  -2.951
  213    HZ1  LYS  28           HZ1      LYS  28 -13.214  -5.703  -0.891
  214    HZ2  LYS  28           HZ2      LYS  28 -12.240  -5.278  -2.138
  215    HZ3  LYS  28           HZ3      LYS  28 -13.696  -5.983  -2.427
  216    H    LYS  29           H        LYS  29 -12.620  -1.309  -5.331
  217    HA   LYS  29           HA       LYS  29 -12.737   1.149  -6.902
  218    HB2  LYS  29           HB2      LYS  29 -12.444  -1.787  -7.526
  219    HB3  LYS  29           HB3      LYS  29 -13.014  -0.694  -8.793
  220    HG2  LYS  29           HG2      LYS  29 -11.065   0.735  -8.562
  221    HG3  LYS  29           HG3      LYS  29 -10.487  -0.190  -7.174
  222    HD2  LYS  29           HD2      LYS  29  -9.277  -0.598  -9.344
  223    HD3  LYS  29           HD3      LYS  29  -9.849  -2.024  -8.486
  224    HE2  LYS  29           HE2      LYS  29 -10.184  -2.248 -10.888
  225    HE3  LYS  29           HE3      LYS  29 -11.708  -2.308 -10.007
  226    HZ1  LYS  29           HZ1      LYS  29 -12.409  -0.773 -11.410
  227    HZ2  LYS  29           HZ2      LYS  29 -10.904  -0.494 -12.037
  228    HZ3  LYS  29           HZ3      LYS  29 -11.370   0.346 -10.748
  229    H    LYS  30           H        LYS  30 -14.362   2.087  -7.881
  230    HA   LYS  30           HA       LYS  30 -16.943   0.776  -8.303
  231    HB2  LYS  30           HB2      LYS  30 -16.694   1.795  -5.816
  232    HB3  LYS  30           HB3      LYS  30 -17.087   3.289  -6.645
  233    HG2  LYS  30           HG2      LYS  30 -19.185   2.511  -6.032
  234    HG3  LYS  30           HG3      LYS  30 -19.074   1.885  -7.680
  235    HD2  LYS  30           HD2      LYS  30 -18.100  -0.260  -6.522
  236    HD3  LYS  30           HD3      LYS  30 -18.737   0.419  -5.026
  237    HE2  LYS  30           HE2      LYS  30 -20.297  -0.253  -7.554
  238    HE3  LYS  30           HE3      LYS  30 -20.267  -1.225  -6.081
  239    HZ1  LYS  30           HZ1      LYS  30 -22.245   0.075  -6.171
  240    HZ2  LYS  30           HZ2      LYS  30 -21.440   1.482  -6.399
  241    HZ3  LYS  30           HZ3      LYS  30 -21.339   0.724  -4.950
  242    H    LEU  31           H        LEU  31 -15.256   1.535 -10.226
  243    HA   LEU  31           HA       LEU  31 -16.391   3.962 -11.447
  244    HB2  LEU  31           HB2      LEU  31 -14.429   4.650  -9.994
  245    HB3  LEU  31           HB3      LEU  31 -13.419   3.609 -11.001
  246    HG   LEU  31           HG       LEU  31 -14.235   5.057 -13.009
  247   HD11  LEU  31          HD11      LEU  31 -14.905   7.345 -12.450
  248   HD12  LEU  31          HD12      LEU  31 -14.895   6.957 -10.706
  249   HD13  LEU  31          HD13      LEU  31 -16.083   6.213 -11.788
  250   HD21  LEU  31          HD21      LEU  31 -12.476   6.316 -10.866
  251   HD22  LEU  31          HD22      LEU  31 -12.513   6.737 -12.604
  252   HD23  LEU  31          HD23      LEU  31 -11.957   5.147 -12.093
  253    H    LEU  32           H        LEU  32 -16.674   3.729 -13.576
  254    HA   LEU  32           HA       LEU  32 -15.789   1.347 -15.004
  255    HB2  LEU  32           HB2      LEU  32 -17.049   2.324 -16.847
  256    HB3  LEU  32           HB3      LEU  32 -17.938   2.533 -15.344
  257    HG   LEU  32           HG       LEU  32 -16.704   4.945 -15.308
  258   HD11  LEU  32          HD11      LEU  32 -15.324   4.704 -17.351
  259   HD12  LEU  32          HD12      LEU  32 -16.590   5.877 -17.615
  260   HD13  LEU  32          HD13      LEU  32 -16.762   4.250 -18.290
  261   HD21  LEU  32          HD21      LEU  32 -18.664   5.865 -16.499
  262   HD22  LEU  32          HD22      LEU  32 -19.132   4.575 -15.388
  263   HD23  LEU  32          HD23      LEU  32 -19.048   4.249 -17.130
  Start of MODEL    9
    1    H1   GLY   1           H1       GLY   1   4.508  -8.378  -4.193
    2    H2   GLY   1           H2       GLY   1   4.009  -8.060  -2.658
    3    H3   GLY   1           H3       GLY   1   2.895  -8.287  -3.871
    4    HA2  GLY   1           HA2      GLY   1   4.803  -6.063  -3.717
    5    HA3  GLY   1           HA3      GLY   1   3.569  -6.306  -4.974
    6    HA   PRO   2           HA       PRO   2   1.571  -3.551  -1.994
    7    HB2  PRO   2           HB2      PRO   2  -0.570  -2.763  -3.551
    8    HB3  PRO   2           HB3      PRO   2   1.081  -2.079  -3.634
    9    HG2  PRO   2           HG2      PRO   2  -0.146  -4.226  -5.384
   10    HG3  PRO   2           HG3      PRO   2   0.819  -2.802  -5.877
   11    HD2  PRO   2           HD2      PRO   2   1.912  -5.273  -5.643
   12    HD3  PRO   2           HD3      PRO   2   2.832  -3.815  -5.160
   13    H    TYR   3           H        TYR   3   0.450  -4.196  -0.356
   14    HA   TYR   3           HA       TYR   3  -2.131  -5.557  -0.758
   15    HB2  TYR   3           HB2      TYR   3  -0.101  -6.290   1.292
   16    HB3  TYR   3           HB3      TYR   3  -1.814  -6.560   1.557
   17    HD1  TYR   3           HD1      TYR   3  -3.174  -7.824  -0.260
   18    HD2  TYR   3           HD2      TYR   3   1.125  -7.952   0.089
   19    HE1  TYR   3           HE1      TYR   3  -3.136  -9.976  -1.508
   20    HE2  TYR   3           HE2      TYR   3   1.151 -10.119  -1.139
   21    HH   TYR   3           HH       TYR   3  -0.270 -11.950  -1.689
   22    H    CYS   4           H        CYS   4  -2.826  -3.435  -1.100
   23    HA   CYS   4           HA       CYS   4  -3.532  -2.040   1.426
   24    HB2  CYS   4           HB2      CYS   4  -3.104   0.084   0.171
   25    HB3  CYS   4           HB3      CYS   4  -1.698  -0.863   0.611
   26    H    GLN   5           H        GLN   5  -4.380  -1.446  -2.058
   27    HA   GLN   5           HA       GLN   5  -7.154  -1.023  -1.401
   28    HB2  GLN   5           HB2      GLN   5  -7.612  -0.934  -3.703
   29    HB3  GLN   5           HB3      GLN   5  -6.090  -0.121  -3.460
   30    HG2  GLN   5           HG2      GLN   5  -6.450  -2.925  -4.642
   31    HG3  GLN   5           HG3      GLN   5  -6.214  -1.465  -5.544
   32   HE21  GLN   5          HE21      GLN   5  -4.132  -0.756  -5.990
   33   HE22  GLN   5          HE22      GLN   5  -2.707  -1.508  -5.297
   34    H    LYS   6           H        LYS   6  -5.467  -3.831  -2.808
   35    HA   LYS   6           HA       LYS   6  -7.675  -5.644  -2.642
   36    HB2  LYS   6           HB2      LYS   6  -4.759  -5.777  -3.288
   37    HB3  LYS   6           HB3      LYS   6  -5.469  -7.281  -2.723
   38    HG2  LYS   6           HG2      LYS   6  -7.237  -7.162  -4.416
   39    HG3  LYS   6           HG3      LYS   6  -6.658  -5.583  -4.952
   40    HD2  LYS   6           HD2      LYS   6  -5.997  -7.348  -6.508
   41    HD3  LYS   6           HD3      LYS   6  -4.605  -6.543  -5.800
   42    HE2  LYS   6           HE2      LYS   6  -4.203  -8.929  -5.986
   43    HE3  LYS   6           HE3      LYS   6  -4.204  -8.440  -4.294
   44    HZ1  LYS   6           HZ1      LYS   6  -6.558  -9.689  -5.624
   45    HZ2  LYS   6           HZ2      LYS   6  -6.364  -9.418  -4.012
   46    HZ3  LYS   6           HZ3      LYS   6  -5.433 -10.512  -4.782
   47    H    TRP   7           H        TRP   7  -6.247  -4.322  -0.005
   48    HA   TRP   7           HA       TRP   7  -7.029  -6.632   1.693
   49    HB2  TRP   7           HB2      TRP   7  -4.647  -6.824   1.242
   50    HB3  TRP   7           HB3      TRP   7  -4.398  -5.186   1.823
   51    HD1  TRP   7           HD1      TRP   7  -5.560  -8.592   3.186
   52    HE1  TRP   7           HE1      TRP   7  -4.881  -8.800   5.647
   53    HE3  TRP   7           HE3      TRP   7  -3.802  -3.846   3.933
   54    HZ2  TRP   7           HZ2      TRP   7  -3.751  -7.117   7.689
   55    HZ3  TRP   7           HZ3      TRP   7  -2.962  -3.165   6.164
   56    HH2  TRP   7           HH2      TRP   7  -2.956  -4.780   8.050
   57    H    MET   8           H        MET   8  -8.051  -3.793   0.990
   58    HA   MET   8           HA       MET   8  -9.318  -2.256   2.058
   59    HB2  MET   8           HB2      MET   8  -9.726  -4.671   3.852
   60    HB3  MET   8           HB3      MET   8 -10.675  -3.204   4.012
   61    HG2  MET   8           HG2      MET   8 -11.095  -3.403   1.450
   62    HG3  MET   8           HG3      MET   8 -10.478  -5.039   1.619
   63    HE1  MET   8           HE1      MET   8 -14.227  -5.720   1.008
   64    HE2  MET   8           HE2      MET   8 -13.178  -4.501   0.243
   65    HE3  MET   8           HE3      MET   8 -12.556  -6.133   0.578
   66    H    GLN   9           H        GLN   9  -7.026  -1.422   2.332
   67    HA   GLN   9           HA       GLN   9  -5.588  -1.239   4.575
   68    HB2  GLN   9           HB2      GLN   9  -4.418   0.624   3.495
   69    HB3  GLN   9           HB3      GLN   9  -4.842  -0.639   2.378
   70    HG2  GLN   9           HG2      GLN   9  -6.825   0.709   1.600
   71    HG3  GLN   9           HG3      GLN   9  -6.322   2.009   2.678
   72   HE21  GLN   9          HE21      GLN   9  -3.684   2.445   2.271
   73   HE22  GLN   9          HE22      GLN   9  -3.360   2.723   0.574
   74    H    THR  10           H        THR  10  -8.329  -0.381   5.638
   75    HA   THR  10           HA       THR  10  -9.216   1.137   7.117
   76    HB   THR  10           HB       THR  10  -6.352   1.503   7.990
   77    HG1  THR  10           HG1      THR  10  -6.802  -0.638   7.924
   78   HG21  THR  10          HG21      THR  10  -7.491   1.603  10.257
   79   HG22  THR  10          HG22      THR  10  -9.037   1.795   9.408
   80   HG23  THR  10          HG23      THR  10  -7.771   3.026   9.250
   81    H    CYS  11           H        CYS  11  -9.649   2.315   5.019
   82    HA   CYS  11           HA       CYS  11  -8.173   4.808   4.606
   83    HB2  CYS  11           HB2      CYS  11  -9.212   3.138   2.844
   84    HB3  CYS  11           HB3      CYS  11 -10.611   4.197   2.983
   85    H    ASP  12           H        ASP  12  -8.711   5.433   6.793
   86    HA   ASP  12           HA       ASP  12 -10.918   7.417   6.723
   87    HB2  ASP  12           HB2      ASP  12  -9.137   6.415   8.932
   88    HB3  ASP  12           HB3      ASP  12  -9.850   8.016   9.051
   89    H    SER  13           H        SER  13  -9.804   9.617   7.890
   90    HA   SER  13           HA       SER  13  -8.499  10.852   5.670
   91    HB2  SER  13           HB2      SER  13  -8.537  12.879   7.123
   92    HB3  SER  13           HB3      SER  13 -10.086  12.104   6.809
   93    HG   SER  13           HG       SER  13  -8.592  11.499   9.171
   94    H    GLU  14           H        GLU  14  -6.806   8.829   6.571
   95    HA   GLU  14           HA       GLU  14  -4.289  10.329   6.850
   96    HB2  GLU  14           HB2      GLU  14  -5.199   8.184   8.809
   97    HB3  GLU  14           HB3      GLU  14  -3.486   8.449   8.531
   98    HG2  GLU  14           HG2      GLU  14  -5.389  10.536   9.533
   99    HG3  GLU  14           HG3      GLU  14  -4.223   9.626  10.485
  100    H    ARG  15           H        ARG  15  -5.312   9.256   4.471
  101    HA   ARG  15           HA       ARG  15  -3.538   6.870   4.144
  102    HB2  ARG  15           HB2      ARG  15  -6.121   6.436   4.616
  103    HB3  ARG  15           HB3      ARG  15  -6.290   6.854   2.925
  104    HG2  ARG  15           HG2      ARG  15  -5.872   4.618   2.591
  105    HG3  ARG  15           HG3      ARG  15  -4.174   5.076   2.736
  106    HD2  ARG  15           HD2      ARG  15  -6.011   4.052   4.935
  107    HD3  ARG  15           HD3      ARG  15  -4.594   3.219   4.202
  108    HE   ARG  15           HE       ARG  15  -4.019   5.795   5.496
  109   HH11  ARG  15          HH11      ARG  15  -4.579   2.426   6.301
  110   HH12  ARG  15          HH12      ARG  15  -3.667   2.569   7.776
  111   HH21  ARG  15          HH21      ARG  15  -2.873   5.875   7.289
  112   HH22  ARG  15          HH22      ARG  15  -2.706   4.429   8.312
  113    H    LYS  16           H        LYS  16  -2.118   7.081   2.768
  114    HA   LYS  16           HA       LYS  16  -2.467   7.781  -0.006
  115    HB2  LYS  16           HB2      LYS  16  -0.574   6.239  -0.360
  116    HB3  LYS  16           HB3      LYS  16  -0.260   7.486   0.832
  117    HG2  LYS  16           HG2      LYS  16  -0.564   5.862   2.675
  118    HG3  LYS  16           HG3      LYS  16  -0.941   4.587   1.529
  119    HD2  LYS  16           HD2      LYS  16   1.718   6.022   1.821
  120    HD3  LYS  16           HD3      LYS  16   1.322   4.363   2.292
  121    HE2  LYS  16           HE2      LYS  16   0.720   4.037  -0.241
  122    HE3  LYS  16           HE3      LYS  16   1.607   5.549  -0.484
  123    HZ1  LYS  16           HZ1      LYS  16   3.135   3.726  -0.747
  124    HZ2  LYS  16           HZ2      LYS  16   2.659   3.052   0.682
  125    HZ3  LYS  16           HZ3      LYS  16   3.508   4.458   0.662
  126    H    CYS  17           H        CYS  17  -4.803   7.021  -0.023
  127    HA   CYS  17           HA       CYS  17  -5.493   4.248  -0.190
  128    HB2  CYS  17           HB2      CYS  17  -7.105   6.147  -0.050
  129    HB3  CYS  17           HB3      CYS  17  -6.692   6.593  -1.694
  130    H    CYS  18           H        CYS  18  -4.852   2.713  -1.639
  131    HA   CYS  18           HA       CYS  18  -2.873   3.456  -3.527
  132    HB2  CYS  18           HB2      CYS  18  -4.273   0.896  -2.830
  133    HB3  CYS  18           HB3      CYS  18  -3.183   0.970  -4.222
  134    H    GLU  19           H        GLU  19  -6.252   3.572  -4.030
  135    HA   GLU  19           HA       GLU  19  -5.882   3.953  -6.950
  136    HB2  GLU  19           HB2      GLU  19  -8.120   2.322  -5.721
  137    HB3  GLU  19           HB3      GLU  19  -7.854   2.636  -7.440
  138    HG2  GLU  19           HG2      GLU  19  -6.172   0.906  -5.587
  139    HG3  GLU  19           HG3      GLU  19  -7.280   0.346  -6.831
  140    H    GLY  20           H        GLY  20  -7.962   4.925  -7.895
  141    HA2  GLY  20           HA2      GLY  20  -8.577   7.336  -6.387
  142    HA3  GLY  20           HA3      GLY  20  -8.981   6.977  -8.062
  143    H    MET  21           H        MET  21 -10.218   4.391  -6.810
  144    HA   MET  21           HA       MET  21 -12.961   4.967  -6.668
  145    HB2  MET  21           HB2      MET  21 -13.093   2.640  -5.841
  146    HB3  MET  21           HB3      MET  21 -11.965   2.805  -7.167
  147    HG2  MET  21           HG2      MET  21 -10.096   2.975  -5.425
  148    HG3  MET  21           HG3      MET  21 -11.281   2.558  -4.211
  149    HE1  MET  21           HE1      MET  21 -10.043  -0.461  -7.561
  150    HE2  MET  21           HE2      MET  21 -11.217   0.836  -7.865
  151    HE3  MET  21           HE3      MET  21  -9.515   1.227  -7.572
  152    H    VAL  22           H        VAL  22 -13.872   3.595  -4.333
  153    HA   VAL  22           HA       VAL  22 -14.365   5.729  -2.590
  154    HB   VAL  22           HB       VAL  22 -14.490   2.863  -1.661
  155   HG11  VAL  22          HG11      VAL  22 -16.545   3.734  -0.497
  156   HG12  VAL  22          HG12      VAL  22 -15.066   4.509   0.049
  157   HG13  VAL  22          HG13      VAL  22 -16.156   5.357  -1.082
  158   HG21  VAL  22          HG21      VAL  22 -15.563   2.846  -3.855
  159   HG22  VAL  22          HG22      VAL  22 -16.782   2.768  -2.586
  160   HG23  VAL  22          HG23      VAL  22 -16.494   4.303  -3.430
  161    H    CYS  23           H        CYS  23 -13.523   6.489  -0.695
  162    HA   CYS  23           HA       CYS  23 -11.481   4.863   0.719
  163    HB2  CYS  23           HB2      CYS  23 -10.184   6.555  -0.418
  164    HB3  CYS  23           HB3      CYS  23 -11.236   7.828   0.208
  165    H    ARG  24           H        ARG  24 -13.300   4.148   1.789
  166    HA   ARG  24           HA       ARG  24 -13.833   5.672   4.232
  167    HB2  ARG  24           HB2      ARG  24 -16.137   4.629   2.503
  168    HB3  ARG  24           HB3      ARG  24 -16.259   4.914   4.221
  169    HG2  ARG  24           HG2      ARG  24 -17.068   6.909   3.618
  170    HG3  ARG  24           HG3      ARG  24 -15.356   7.371   3.567
  171    HD2  ARG  24           HD2      ARG  24 -15.320   6.835   1.118
  172    HD3  ARG  24           HD3      ARG  24 -17.008   6.321   1.198
  173    HE   ARG  24           HE       ARG  24 -15.969   9.102   1.500
  174   HH11  ARG  24          HH11      ARG  24 -18.819   7.065   1.868
  175   HH12  ARG  24          HH12      ARG  24 -19.869   8.470   1.847
  176   HH21  ARG  24          HH21      ARG  24 -17.399  10.696   1.010
  177   HH22  ARG  24          HH22      ARG  24 -19.095  10.431   1.334
  178    H    LEU  25           H        LEU  25 -13.118   4.319   5.690
  179    HA   LEU  25           HA       LEU  25 -12.292   2.488   6.722
  180    HB2  LEU  25           HB2      LEU  25 -14.467   0.843   5.404
  181    HB3  LEU  25           HB3      LEU  25 -13.488   0.419   6.791
  182    HG   LEU  25           HG       LEU  25 -14.625   2.524   7.921
  183   HD11  LEU  25          HD11      LEU  25 -15.878   3.426   6.043
  184   HD12  LEU  25          HD12      LEU  25 -17.008   2.726   7.168
  185   HD13  LEU  25          HD13      LEU  25 -16.585   1.833   5.683
  186   HD21  LEU  25          HD21      LEU  25 -16.113  -0.074   7.354
  187   HD22  LEU  25          HD22      LEU  25 -16.462   1.055   8.688
  188   HD23  LEU  25          HD23      LEU  25 -14.919   0.199   8.644
  189    H    TRP  26           H        TRP  26 -12.798   1.917   3.261
  190    HA   TRP  26           HA       TRP  26 -10.160   0.618   3.018
  191    HB2  TRP  26           HB2      TRP  26 -11.629  -1.089   1.504
  192    HB3  TRP  26           HB3      TRP  26 -11.159  -1.312   3.171
  193    HD1  TRP  26           HD1      TRP  26 -12.936  -1.991   4.789
  194    HE1  TRP  26           HE1      TRP  26 -15.489  -1.918   4.934
  195    HE3  TRP  26           HE3      TRP  26 -13.888   0.804   0.602
  196    HZ2  TRP  26           HZ2      TRP  26 -17.656  -0.674   3.489
  197    HZ3  TRP  26           HZ3      TRP  26 -16.211   1.477   0.059
  198    HH2  TRP  26           HH2      TRP  26 -18.104   0.732   1.488
  199    H    CYS  27           H        CYS  27  -9.706   0.034   0.697
  200    HA   CYS  27           HA       CYS  27 -10.779   2.042  -1.215
  201    HB2  CYS  27           HB2      CYS  27  -8.011   0.837  -1.149
  202    HB3  CYS  27           HB3      CYS  27  -8.633   1.927  -2.385
  203    H    LYS  28           H        LYS  28 -12.467   0.814  -1.956
  204    HA   LYS  28           HA       LYS  28 -11.704  -1.389  -3.755
  205    HB2  LYS  28           HB2      LYS  28 -13.483  -2.870  -3.160
  206    HB3  LYS  28           HB3      LYS  28 -12.409  -2.606  -1.806
  207    HG2  LYS  28           HG2      LYS  28 -14.667  -2.802  -1.059
  208    HG3  LYS  28           HG3      LYS  28 -14.061  -1.194  -0.701
  209    HD2  LYS  28           HD2      LYS  28 -15.447  -0.163  -2.312
  210    HD3  LYS  28           HD3      LYS  28 -15.692  -1.657  -3.218
  211    HE2  LYS  28           HE2      LYS  28 -16.873  -1.055  -0.474
  212    HE3  LYS  28           HE3      LYS  28 -17.705  -0.890  -2.027
  213    HZ1  LYS  28           HZ1      LYS  28 -16.947  -3.379  -2.253
  214    HZ2  LYS  28           HZ2      LYS  28 -18.338  -2.976  -1.497
  215    HZ3  LYS  28           HZ3      LYS  28 -16.986  -3.315  -0.593
  216    H    LYS  29           H        LYS  29 -13.399  -1.917  -5.354
  217    HA   LYS  29           HA       LYS  29 -13.774   0.535  -6.767
  218    HB2  LYS  29           HB2      LYS  29 -14.853  -2.218  -7.387
  219    HB3  LYS  29           HB3      LYS  29 -14.780  -0.882  -8.527
  220    HG2  LYS  29           HG2      LYS  29 -12.425  -0.940  -8.656
  221    HG3  LYS  29           HG3      LYS  29 -12.248  -1.954  -7.221
  222    HD2  LYS  29           HD2      LYS  29 -13.152  -3.876  -8.310
  223    HD3  LYS  29           HD3      LYS  29 -13.664  -2.953  -9.726
  224    HE2  LYS  29           HE2      LYS  29 -10.749  -3.005  -8.872
  225    HE3  LYS  29           HE3      LYS  29 -11.431  -4.342  -9.817
  226    HZ1  LYS  29           HZ1      LYS  29 -11.918  -2.949 -11.578
  227    HZ2  LYS  29           HZ2      LYS  29 -10.422  -2.420 -11.128
  228    HZ3  LYS  29           HZ3      LYS  29 -11.735  -1.547 -10.727
  229    H    LYS  30           H        LYS  30 -15.373   1.885  -6.872
  230    HA   LYS  30           HA       LYS  30 -18.064   1.039  -7.279
  231    HB2  LYS  30           HB2      LYS  30 -17.813   1.246  -4.633
  232    HB3  LYS  30           HB3      LYS  30 -17.791   2.965  -4.937
  233    HG2  LYS  30           HG2      LYS  30 -20.006   2.331  -4.371
  234    HG3  LYS  30           HG3      LYS  30 -19.976   2.834  -6.062
  235    HD2  LYS  30           HD2      LYS  30 -21.430   0.894  -5.679
  236    HD3  LYS  30           HD3      LYS  30 -20.121   0.487  -6.791
  237    HE2  LYS  30           HE2      LYS  30 -18.852  -0.574  -4.941
  238    HE3  LYS  30           HE3      LYS  30 -20.123  -0.098  -3.792
  239    HZ1  LYS  30           HZ1      LYS  30 -20.426  -1.966  -6.066
  240    HZ2  LYS  30           HZ2      LYS  30 -21.665  -1.472  -5.089
  241    HZ3  LYS  30           HZ3      LYS  30 -20.435  -2.368  -4.467
  242    H    LEU  31           H        LEU  31 -17.887   2.044  -9.212
  243    HA   LEU  31           HA       LEU  31 -17.932   4.977  -9.300
  244    HB2  LEU  31           HB2      LEU  31 -15.505   4.483  -9.208
  245    HB3  LEU  31           HB3      LEU  31 -15.672   3.409 -10.596
  246    HG   LEU  31           HG       LEU  31 -16.318   5.368 -12.012
  247   HD11  LEU  31          HD11      LEU  31 -15.954   7.651 -11.179
  248   HD12  LEU  31          HD12      LEU  31 -15.629   7.021  -9.541
  249   HD13  LEU  31          HD13      LEU  31 -17.241   6.870 -10.270
  250   HD21  LEU  31          HD21      LEU  31 -13.689   5.735 -10.536
  251   HD22  LEU  31          HD22      LEU  31 -14.107   6.315 -12.180
  252   HD23  LEU  31          HD23      LEU  31 -13.986   4.588 -11.858
  253    H    LEU  32           H        LEU  32 -18.168   1.884 -11.006
  254    HA   LEU  32           HA       LEU  32 -19.485   3.273 -13.366
  255    HB2  LEU  32           HB2      LEU  32 -17.501   0.958 -13.104
  256    HB3  LEU  32           HB3      LEU  32 -18.365   1.303 -14.612
  257    HG   LEU  32           HG       LEU  32 -16.702   3.447 -13.194
  258   HD11  LEU  32          HD11      LEU  32 -15.246   1.534 -13.690
  259   HD12  LEU  32          HD12      LEU  32 -14.889   2.924 -14.723
  260   HD13  LEU  32          HD13      LEU  32 -15.804   1.550 -15.381
  261   HD21  LEU  32          HD21      LEU  32 -18.305   4.294 -14.912
  262   HD22  LEU  32          HD22      LEU  32 -17.633   3.149 -16.093
  263   HD23  LEU  32          HD23      LEU  32 -16.634   4.464 -15.452
  Start of MODEL   10
    1    H1   GLY   1           H1       GLY   1   3.822  -6.419   0.920
    2    H2   GLY   1           H2       GLY   1   3.891  -6.704  -0.694
    3    H3   GLY   1           H3       GLY   1   5.045  -5.770   0.031
    4    HA2  GLY   1           HA2      GLY   1   3.402  -4.084   0.567
    5    HA3  GLY   1           HA3      GLY   1   3.561  -4.362  -1.172
    6    HA   PRO   2           HA       PRO   2  -0.559  -6.354   0.265
    7    HB2  PRO   2           HB2      PRO   2  -1.788  -5.389   2.462
    8    HB3  PRO   2           HB3      PRO   2  -0.501  -6.626   2.561
    9    HG2  PRO   2           HG2      PRO   2  -0.255  -3.637   3.006
   10    HG3  PRO   2           HG3      PRO   2   0.413  -4.968   4.000
   11    HD2  PRO   2           HD2      PRO   2   1.862  -3.625   2.076
   12    HD3  PRO   2           HD3      PRO   2   2.159  -5.335   2.503
   13    H    TYR   3           H        TYR   3  -1.284  -5.406  -1.577
   14    HA   TYR   3           HA       TYR   3  -1.696  -2.748  -2.048
   15    HB2  TYR   3           HB2      TYR   3  -2.805  -5.165  -3.391
   16    HB3  TYR   3           HB3      TYR   3  -3.350  -3.570  -3.857
   17    HD1  TYR   3           HD1      TYR   3  -2.128  -2.153  -5.261
   18    HD2  TYR   3           HD2      TYR   3  -0.261  -5.668  -3.583
   19    HE1  TYR   3           HE1      TYR   3  -0.254  -1.933  -6.877
   20    HE2  TYR   3           HE2      TYR   3   1.639  -5.398  -5.163
   21    HH   TYR   3           HH       TYR   3   1.498  -3.115  -7.856
   22    H    CYS   4           H        CYS   4  -2.974  -1.161  -1.705
   23    HA   CYS   4           HA       CYS   4  -4.629  -1.075   0.414
   24    HB2  CYS   4           HB2      CYS   4  -5.052   0.646  -2.045
   25    HB3  CYS   4           HB3      CYS   4  -5.399   1.053  -0.383
   26    H    GLN   5           H        GLN   5  -5.790  -1.614  -2.926
   27    HA   GLN   5           HA       GLN   5  -8.590  -1.445  -2.114
   28    HB2  GLN   5           HB2      GLN   5  -9.106  -1.092  -4.283
   29    HB3  GLN   5           HB3      GLN   5  -7.535  -0.354  -4.183
   30    HG2  GLN   5           HG2      GLN   5  -8.208  -3.024  -5.483
   31    HG3  GLN   5           HG3      GLN   5  -7.870  -1.512  -6.286
   32   HE21  GLN   5          HE21      GLN   5  -5.939  -1.763  -7.318
   33   HE22  GLN   5          HE22      GLN   5  -4.557  -2.688  -6.688
   34    H    LYS   6           H        LYS   6  -6.502  -3.735  -1.722
   35    HA   LYS   6           HA       LYS   6  -8.184  -6.098  -2.392
   36    HB2  LYS   6           HB2      LYS   6  -6.588  -5.522  -4.093
   37    HB3  LYS   6           HB3      LYS   6  -5.249  -5.545  -2.938
   38    HG2  LYS   6           HG2      LYS   6  -5.539  -7.988  -2.691
   39    HG3  LYS   6           HG3      LYS   6  -6.895  -7.949  -3.822
   40    HD2  LYS   6           HD2      LYS   6  -4.013  -7.136  -4.462
   41    HD3  LYS   6           HD3      LYS   6  -4.748  -8.689  -4.835
   42    HE2  LYS   6           HE2      LYS   6  -4.888  -7.638  -6.872
   43    HE3  LYS   6           HE3      LYS   6  -6.495  -7.371  -6.202
   44    HZ1  LYS   6           HZ1      LYS   6  -5.591  -5.080  -5.520
   45    HZ2  LYS   6           HZ2      LYS   6  -5.730  -5.331  -7.135
   46    HZ3  LYS   6           HZ3      LYS   6  -4.281  -5.386  -6.457
   47    H    TRP   7           H        TRP   7  -6.785  -4.451   0.151
   48    HA   TRP   7           HA       TRP   7  -6.889  -6.859   1.857
   49    HB2  TRP   7           HB2      TRP   7  -4.622  -6.834   1.032
   50    HB3  TRP   7           HB3      TRP   7  -4.415  -5.169   1.535
   51    HD1  TRP   7           HD1      TRP   7  -4.940  -8.644   3.111
   52    HE1  TRP   7           HE1      TRP   7  -3.978  -8.656   5.500
   53    HE3  TRP   7           HE3      TRP   7  -3.743  -3.691   3.577
   54    HZ2  TRP   7           HZ2      TRP   7  -2.465  -6.887   7.177
   55    HZ3  TRP   7           HZ3      TRP   7  -2.628  -2.866   5.645
   56    HH2  TRP   7           HH2      TRP   7  -1.949  -4.451   7.425
   57    H    MET   8           H        MET   8  -7.979  -3.794   1.577
   58    HA   MET   8           HA       MET   8  -8.845  -2.227   2.943
   59    HB2  MET   8           HB2      MET   8  -9.266  -4.576   4.822
   60    HB3  MET   8           HB3      MET   8 -10.107  -3.023   4.879
   61    HG2  MET   8           HG2      MET   8 -10.934  -3.427   2.555
   62    HG3  MET   8           HG3      MET   8 -10.205  -5.030   2.616
   63    HE1  MET   8           HE1      MET   8 -10.874  -6.080   5.579
   64    HE2  MET   8           HE2      MET   8 -12.408  -6.911   5.255
   65    HE3  MET   8           HE3      MET   8 -11.072  -7.038   4.096
   66    H    GLN   9           H        GLN   9  -6.741  -1.220   3.081
   67    HA   GLN   9           HA       GLN   9  -4.902  -1.503   5.138
   68    HB2  GLN   9           HB2      GLN   9  -3.899   0.460   4.269
   69    HB3  GLN   9           HB3      GLN   9  -4.751  -0.250   2.901
   70    HG2  GLN   9           HG2      GLN   9  -6.705   1.372   3.552
   71    HG3  GLN   9           HG3      GLN   9  -5.503   2.195   4.547
   72   HE21  GLN   9          HE21      GLN   9  -3.289   2.716   3.137
   73   HE22  GLN   9          HE22      GLN   9  -3.718   3.338   1.531
   74    H    THR  10           H        THR  10  -7.960  -0.609   6.005
   75    HA   THR  10           HA       THR  10  -9.065   0.919   7.252
   76    HB   THR  10           HB       THR  10  -6.498   1.543   8.700
   77    HG1  THR  10           HG1      THR  10  -7.815  -0.667   8.587
   78   HG21  THR  10          HG21      THR  10  -9.437   2.024   9.366
   79   HG22  THR  10          HG22      THR  10  -8.185   3.260   9.114
   80   HG23  THR  10          HG23      THR  10  -8.094   2.186  10.514
   81    H    CYS  11           H        CYS  11  -9.652   2.168   5.570
   82    HA   CYS  11           HA       CYS  11  -7.836   4.300   4.630
   83    HB2  CYS  11           HB2      CYS  11  -9.145   2.477   3.217
   84    HB3  CYS  11           HB3      CYS  11 -10.389   3.732   3.230
   85    H    ASP  12           H        ASP  12  -8.062   5.513   6.527
   86    HA   ASP  12           HA       ASP  12 -10.450   7.020   7.193
   87    HB2  ASP  12           HB2      ASP  12  -7.490   7.412   7.800
   88    HB3  ASP  12           HB3      ASP  12  -8.803   8.387   8.467
   89    H    SER  13           H        SER  13 -10.302   9.518   7.182
   90    HA   SER  13           HA       SER  13 -10.428  10.563   4.590
   91    HB2  SER  13           HB2      SER  13 -11.492  11.609   6.498
   92    HB3  SER  13           HB3      SER  13  -9.922  11.983   7.212
   93    HG   SER  13           HG       SER  13  -9.952  13.720   6.137
   94    H    GLU  14           H        GLU  14  -7.517  10.254   6.545
   95    HA   GLU  14           HA       GLU  14  -5.932  11.966   4.692
   96    HB2  GLU  14           HB2      GLU  14  -5.195  10.503   7.242
   97    HB3  GLU  14           HB3      GLU  14  -4.125  11.579   6.352
   98    HG2  GLU  14           HG2      GLU  14  -5.424  13.509   6.870
   99    HG3  GLU  14           HG3      GLU  14  -6.807  12.558   7.412
  100    H    ARG  15           H        ARG  15  -6.817   8.688   4.724
  101    HA   ARG  15           HA       ARG  15  -4.127   7.626   4.173
  102    HB2  ARG  15           HB2      ARG  15  -6.833   6.491   4.759
  103    HB3  ARG  15           HB3      ARG  15  -5.750   5.474   3.831
  104    HG2  ARG  15           HG2      ARG  15  -4.678   6.844   6.331
  105    HG3  ARG  15           HG3      ARG  15  -5.699   5.413   6.505
  106    HD2  ARG  15           HD2      ARG  15  -4.253   4.085   5.055
  107    HD3  ARG  15           HD3      ARG  15  -3.292   5.539   4.626
  108    HE   ARG  15           HE       ARG  15  -2.047   5.188   6.470
  109   HH11  ARG  15          HH11      ARG  15  -5.065   3.344   7.067
  110   HH12  ARG  15          HH12      ARG  15  -4.196   2.458   8.304
  111   HH21  ARG  15          HH21      ARG  15  -1.387   4.282   8.319
  112   HH22  ARG  15          HH22      ARG  15  -2.348   2.967   9.021
  113    H    LYS  16           H        LYS  16  -3.230   7.099   2.319
  114    HA   LYS  16           HA       LYS  16  -4.594   7.790  -0.186
  115    HB2  LYS  16           HB2      LYS  16  -1.871   6.474   0.098
  116    HB3  LYS  16           HB3      LYS  16  -2.491   7.385  -1.268
  117    HG2  LYS  16           HG2      LYS  16  -1.670   8.423   1.460
  118    HG3  LYS  16           HG3      LYS  16  -0.827   8.680  -0.048
  119    HD2  LYS  16           HD2      LYS  16  -3.644   9.796   0.341
  120    HD3  LYS  16           HD3      LYS  16  -2.246  10.550   1.058
  121    HE2  LYS  16           HE2      LYS  16  -2.496  11.750  -0.876
  122    HE3  LYS  16           HE3      LYS  16  -1.174  10.649  -1.257
  123    HZ1  LYS  16           HZ1      LYS  16  -2.745   9.307  -2.559
  124    HZ2  LYS  16           HZ2      LYS  16  -2.887  10.856  -3.031
  125    HZ3  LYS  16           HZ3      LYS  16  -4.013  10.220  -2.031
  126    H    CYS  17           H        CYS  17  -6.161   6.454  -0.781
  127    HA   CYS  17           HA       CYS  17  -5.892   3.538  -0.857
  128    HB2  CYS  17           HB2      CYS  17  -8.052   4.622  -0.664
  129    HB3  CYS  17           HB3      CYS  17  -7.815   5.488  -2.168
  130    H    CYS  18           H        CYS  18  -4.573   2.555  -2.208
  131    HA   CYS  18           HA       CYS  18  -2.609   3.651  -3.619
  132    HB2  CYS  18           HB2      CYS  18  -3.964   0.982  -4.138
  133    HB3  CYS  18           HB3      CYS  18  -2.454   1.443  -4.887
  134    H    GLU  19           H        GLU  19  -5.650   2.647  -5.244
  135    HA   GLU  19           HA       GLU  19  -4.687   3.764  -7.819
  136    HB2  GLU  19           HB2      GLU  19  -6.949   1.892  -7.117
  137    HB3  GLU  19           HB3      GLU  19  -6.689   2.571  -8.741
  138    HG2  GLU  19           HG2      GLU  19  -4.361   1.655  -8.724
  139    HG3  GLU  19           HG3      GLU  19  -4.716   0.845  -7.198
  140    H    GLY  20           H        GLY  20  -5.777   5.382  -5.410
  141    HA2  GLY  20           HA2      GLY  20  -6.644   7.484  -5.257
  142    HA3  GLY  20           HA3      GLY  20  -6.951   7.487  -6.998
  143    H    MET  21           H        MET  21  -8.474   4.830  -5.960
  144    HA   MET  21           HA       MET  21 -11.103   5.963  -6.230
  145    HB2  MET  21           HB2      MET  21 -11.819   3.588  -6.217
  146    HB3  MET  21           HB3      MET  21 -10.517   3.944  -7.348
  147    HG2  MET  21           HG2      MET  21  -8.859   3.056  -5.688
  148    HG3  MET  21           HG3      MET  21 -10.198   2.672  -4.608
  149    HE1  MET  21           HE1      MET  21  -9.548   0.518  -8.674
  150    HE2  MET  21           HE2      MET  21 -10.608   1.936  -8.594
  151    HE3  MET  21           HE3      MET  21  -8.875   2.110  -8.277
  152    H    VAL  22           H        VAL  22 -12.877   4.793  -4.853
  153    HA   VAL  22           HA       VAL  22 -13.168   6.387  -2.662
  154    HB   VAL  22           HB       VAL  22 -14.719   3.853  -3.089
  155   HG11  VAL  22          HG11      VAL  22 -15.355   6.473  -1.654
  156   HG12  VAL  22          HG12      VAL  22 -16.511   5.154  -1.938
  157   HG13  VAL  22          HG13      VAL  22 -15.135   4.908  -0.857
  158   HG21  VAL  22          HG21      VAL  22 -16.295   5.358  -4.284
  159   HG22  VAL  22          HG22      VAL  22 -15.149   6.696  -4.117
  160   HG23  VAL  22          HG23      VAL  22 -14.726   5.296  -5.111
  161    H    CYS  23           H        CYS  23 -12.767   6.482  -0.649
  162    HA   CYS  23           HA       CYS  23 -11.357   4.293   0.803
  163    HB2  CYS  23           HB2      CYS  23  -9.853   5.849  -0.325
  164    HB3  CYS  23           HB3      CYS  23 -10.695   7.219   0.369
  165    H    ARG  24           H        ARG  24 -13.105   3.826   2.186
  166    HA   ARG  24           HA       ARG  24 -13.451   5.694   4.442
  167    HB2  ARG  24           HB2      ARG  24 -15.843   4.741   2.834
  168    HB3  ARG  24           HB3      ARG  24 -15.941   5.210   4.520
  169    HG2  ARG  24           HG2      ARG  24 -16.501   7.242   3.745
  170    HG3  ARG  24           HG3      ARG  24 -14.755   7.464   3.663
  171    HD2  ARG  24           HD2      ARG  24 -15.712   8.153   1.553
  172    HD3  ARG  24           HD3      ARG  24 -14.889   6.623   1.229
  173    HE   ARG  24           HE       ARG  24 -17.366   5.753   1.921
  174   HH11  ARG  24          HH11      ARG  24 -16.573   8.365  -0.385
  175   HH12  ARG  24          HH12      ARG  24 -18.025   7.993  -1.293
  176   HH21  ARG  24          HH21      ARG  24 -19.097   5.397   0.633
  177   HH22  ARG  24          HH22      ARG  24 -19.369   6.453  -0.736
  178    H    LEU  25           H        LEU  25 -12.327   4.358   5.604
  179    HA   LEU  25           HA       LEU  25 -11.734   2.682   6.980
  180    HB2  LEU  25           HB2      LEU  25 -14.416   1.344   6.636
  181    HB3  LEU  25           HB3      LEU  25 -13.272   1.165   7.950
  182    HG   LEU  25           HG       LEU  25 -14.893   3.674   7.329
  183   HD11  LEU  25          HD11      LEU  25 -16.132   3.127   9.325
  184   HD12  LEU  25          HD12      LEU  25 -15.135   1.697   9.619
  185   HD13  LEU  25          HD13      LEU  25 -16.207   1.766   8.200
  186   HD21  LEU  25          HD21      LEU  25 -13.037   3.092   9.682
  187   HD22  LEU  25          HD22      LEU  25 -14.098   4.508   9.512
  188   HD23  LEU  25          HD23      LEU  25 -12.746   4.287   8.402
  189    H    TRP  26           H        TRP  26 -13.509   1.320   4.169
  190    HA   TRP  26           HA       TRP  26 -11.181  -0.446   3.613
  191    HB2  TRP  26           HB2      TRP  26 -12.726  -1.277   1.731
  192    HB3  TRP  26           HB3      TRP  26 -13.054  -1.741   3.380
  193    HD1  TRP  26           HD1      TRP  26 -15.289  -1.009   4.457
  194    HE1  TRP  26           HE1      TRP  26 -17.328   0.315   3.755
  195    HE3  TRP  26           HE3      TRP  26 -13.439   1.028   0.151
  196    HZ2  TRP  26           HZ2      TRP  26 -18.055   2.140   1.602
  197    HZ3  TRP  26           HZ3      TRP  26 -14.785   2.614  -1.153
  198    HH2  TRP  26           HH2      TRP  26 -17.105   3.199  -0.436
  199    H    CYS  27           H        CYS  27 -10.526  -0.603   1.354
  200    HA   CYS  27           HA       CYS  27 -10.954   1.733  -0.390
  201    HB2  CYS  27           HB2      CYS  27  -8.788   2.222   0.409
  202    HB3  CYS  27           HB3      CYS  27  -8.324   0.542   0.456
  203    H    LYS  28           H        LYS  28 -11.649   0.957  -2.392
  204    HA   LYS  28           HA       LYS  28 -11.825  -2.015  -2.661
  205    HB2  LYS  28           HB2      LYS  28 -13.572  -0.898  -1.049
  206    HB3  LYS  28           HB3      LYS  28 -14.390  -0.411  -2.509
  207    HG2  LYS  28           HG2      LYS  28 -15.399  -2.465  -2.141
  208    HG3  LYS  28           HG3      LYS  28 -14.047  -3.029  -3.127
  209    HD2  LYS  28           HD2      LYS  28 -12.757  -3.485  -1.003
  210    HD3  LYS  28           HD3      LYS  28 -14.148  -2.920  -0.071
  211    HE2  LYS  28           HE2      LYS  28 -15.540  -4.711  -1.218
  212    HE3  LYS  28           HE3      LYS  28 -14.037  -5.319  -1.931
  213    HZ1  LYS  28           HZ1      LYS  28 -14.681  -5.176   0.959
  214    HZ2  LYS  28           HZ2      LYS  28 -13.196  -5.568   0.377
  215    HZ3  LYS  28           HZ3      LYS  28 -14.456  -6.548   0.030
  216    H    LYS  29           H        LYS  29 -14.247  -0.166  -4.290
  217    HA   LYS  29           HA       LYS  29 -12.795   0.792  -6.498
  218    HB2  LYS  29           HB2      LYS  29 -13.497  -2.032  -6.812
  219    HB3  LYS  29           HB3      LYS  29 -14.419  -1.063  -7.962
  220    HG2  LYS  29           HG2      LYS  29 -12.260   0.073  -8.642
  221    HG3  LYS  29           HG3      LYS  29 -11.406  -1.072  -7.601
  222    HD2  LYS  29           HD2      LYS  29 -11.212  -1.927  -9.758
  223    HD3  LYS  29           HD3      LYS  29 -12.421  -2.949  -8.975
  224    HE2  LYS  29           HE2      LYS  29 -14.219  -1.741 -10.157
  225    HE3  LYS  29           HE3      LYS  29 -13.038  -0.579 -10.807
  226    HZ1  LYS  29           HZ1      LYS  29 -13.044  -3.486 -11.379
  227    HZ2  LYS  29           HZ2      LYS  29 -11.968  -2.396 -11.980
  228    HZ3  LYS  29           HZ3      LYS  29 -13.539  -2.339 -12.433
  229    H    LYS  30           H        LYS  30 -14.084   2.129  -7.772
  230    HA   LYS  30           HA       LYS  30 -16.969   1.881  -7.881
  231    HB2  LYS  30           HB2      LYS  30 -16.261   3.148  -5.606
  232    HB3  LYS  30           HB3      LYS  30 -16.107   4.519  -6.691
  233    HG2  LYS  30           HG2      LYS  30 -18.277   4.551  -5.697
  234    HG3  LYS  30           HG3      LYS  30 -18.496   4.169  -7.399
  235    HD2  LYS  30           HD2      LYS  30 -19.315   2.073  -6.980
  236    HD3  LYS  30           HD3      LYS  30 -18.196   1.761  -5.660
  237    HE2  LYS  30           HE2      LYS  30 -20.694   3.480  -5.438
  238    HE3  LYS  30           HE3      LYS  30 -20.555   1.793  -4.935
  239    HZ1  LYS  30           HZ1      LYS  30 -19.141   4.115  -3.751
  240    HZ2  LYS  30           HZ2      LYS  30 -18.738   2.532  -3.416
  241    HZ3  LYS  30           HZ3      LYS  30 -20.214   3.136  -3.030
  242    H    LEU  31           H        LEU  31 -15.162   1.705  -9.838
  243    HA   LEU  31           HA       LEU  31 -15.666   3.931 -11.648
  244    HB2  LEU  31           HB2      LEU  31 -13.728   4.643 -10.235
  245    HB3  LEU  31           HB3      LEU  31 -12.812   3.253 -10.779
  246    HG   LEU  31           HG       LEU  31 -13.955   5.021 -12.917
  247   HD11  LEU  31          HD11      LEU  31 -13.250   6.701 -11.304
  248   HD12  LEU  31          HD12      LEU  31 -12.124   6.667 -12.664
  249   HD13  LEU  31          HD13      LEU  31 -11.670   5.910 -11.117
  250   HD21  LEU  31          HD21      LEU  31 -11.829   4.608 -14.004
  251   HD22  LEU  31          HD22      LEU  31 -12.391   3.057 -13.368
  252   HD23  LEU  31          HD23      LEU  31 -11.129   3.942 -12.510
  253    H    LEU  32           H        LEU  32 -15.043   3.316 -13.922
  254    HA   LEU  32           HA       LEU  32 -15.026   0.303 -14.226
  255    HB2  LEU  32           HB2      LEU  32 -16.184   2.576 -15.961
  256    HB3  LEU  32           HB3      LEU  32 -15.977   0.904 -16.486
  257    HG   LEU  32           HG       LEU  32 -17.356   0.245 -14.351
  258   HD11  LEU  32          HD11      LEU  32 -18.190   3.165 -14.679
  259   HD12  LEU  32          HD12      LEU  32 -17.537   2.398 -13.208
  260   HD13  LEU  32          HD13      LEU  32 -19.129   1.937 -13.799
  261   HD21  LEU  32          HD21      LEU  32 -19.446   0.478 -15.650
  262   HD22  LEU  32          HD22      LEU  32 -18.112  -0.027 -16.694
  263   HD23  LEU  32          HD23      LEU  32 -18.662   1.662 -16.719
  Start of MODEL   11
    1    H1   GLY   1           H1       GLY   1   5.987  -7.657  -5.488
    2    H2   GLY   1           H2       GLY   1   5.292  -7.623  -4.004
    3    H3   GLY   1           H3       GLY   1   4.659  -8.604  -5.151
    4    HA2  GLY   1           HA2      GLY   1   4.794  -5.683  -5.459
    5    HA3  GLY   1           HA3      GLY   1   3.828  -6.818  -6.422
    6    HA   PRO   2           HA       PRO   2   1.974  -6.347  -1.995
    7    HB2  PRO   2           HB2      PRO   2   2.256  -3.955  -0.725
    8    HB3  PRO   2           HB3      PRO   2   3.564  -5.174  -0.772
    9    HG2  PRO   2           HG2      PRO   2   3.197  -2.778  -2.612
   10    HG3  PRO   2           HG3      PRO   2   4.657  -3.237  -1.672
   11    HD2  PRO   2           HD2      PRO   2   4.365  -3.948  -4.284
   12    HD3  PRO   2           HD3      PRO   2   5.114  -5.062  -3.098
   13    H    TYR   3           H        TYR   3   0.134  -5.070  -0.966
   14    HA   TYR   3           HA       TYR   3  -1.384  -3.495  -2.906
   15    HB2  TYR   3           HB2      TYR   3  -3.456  -4.916  -2.251
   16    HB3  TYR   3           HB3      TYR   3  -2.385  -5.312  -3.578
   17    HD1  TYR   3           HD1      TYR   3  -2.377  -7.625  -3.848
   18    HD2  TYR   3           HD2      TYR   3  -2.068  -6.002   0.142
   19    HE1  TYR   3           HE1      TYR   3  -2.039  -9.908  -2.947
   20    HE2  TYR   3           HE2      TYR   3  -1.701  -8.292   1.033
   21    HH   TYR   3           HH       TYR   3  -1.732 -11.198  -1.076
   22    H    CYS   4           H        CYS   4  -2.914  -2.098  -2.337
   23    HA   CYS   4           HA       CYS   4  -3.281  -1.669   0.599
   24    HB2  CYS   4           HB2      CYS   4  -3.921   0.413  -1.440
   25    HB3  CYS   4           HB3      CYS   4  -3.608   0.585   0.279
   26    H    GLN   5           H        GLN   5  -5.269  -1.067  -2.392
   27    HA   GLN   5           HA       GLN   5  -7.723  -1.234  -0.953
   28    HB2  GLN   5           HB2      GLN   5  -8.498  -0.440  -2.835
   29    HB3  GLN   5           HB3      GLN   5  -6.945  -0.577  -3.581
   30    HG2  GLN   5           HG2      GLN   5  -9.113  -2.731  -3.610
   31    HG3  GLN   5           HG3      GLN   5  -8.855  -1.547  -4.862
   32   HE21  GLN   5          HE21      GLN   5  -5.681  -2.017  -4.438
   33   HE22  GLN   5          HE22      GLN   5  -5.495  -3.503  -5.350
   34    H    LYS   6           H        LYS   6  -5.948  -3.793  -2.705
   35    HA   LYS   6           HA       LYS   6  -7.848  -5.839  -2.142
   36    HB2  LYS   6           HB2      LYS   6  -5.404  -5.580  -3.622
   37    HB3  LYS   6           HB3      LYS   6  -5.209  -6.972  -2.540
   38    HG2  LYS   6           HG2      LYS   6  -7.256  -7.972  -3.350
   39    HG3  LYS   6           HG3      LYS   6  -7.691  -6.498  -4.222
   40    HD2  LYS   6           HD2      LYS   6  -5.928  -6.802  -5.837
   41    HD3  LYS   6           HD3      LYS   6  -5.248  -8.155  -4.927
   42    HE2  LYS   6           HE2      LYS   6  -6.604  -8.905  -6.881
   43    HE3  LYS   6           HE3      LYS   6  -7.175  -9.533  -5.333
   44    HZ1  LYS   6           HZ1      LYS   6  -9.031  -8.776  -6.629
   45    HZ2  LYS   6           HZ2      LYS   6  -8.362  -7.286  -6.854
   46    HZ3  LYS   6           HZ3      LYS   6  -8.887  -7.772  -5.348
   47    H    TRP   7           H        TRP   7  -6.023  -4.318   0.147
   48    HA   TRP   7           HA       TRP   7  -6.614  -6.566   2.008
   49    HB2  TRP   7           HB2      TRP   7  -4.077  -6.007   1.391
   50    HB3  TRP   7           HB3      TRP   7  -4.294  -4.745   2.597
   51    HD1  TRP   7           HD1      TRP   7  -4.347  -5.610   5.135
   52    HE1  TRP   7           HE1      TRP   7  -4.375  -7.923   6.292
   53    HE3  TRP   7           HE3      TRP   7  -4.893  -8.560   1.010
   54    HZ2  TRP   7           HZ2      TRP   7  -4.601 -10.677   5.499
   55    HZ3  TRP   7           HZ3      TRP   7  -5.168 -11.004   1.241
   56    HH2  TRP   7           HH2      TRP   7  -4.988 -12.089   3.472
   57    H    MET   8           H        MET   8  -8.033  -4.001   1.088
   58    HA   MET   8           HA       MET   8  -9.274  -2.325   1.985
   59    HB2  MET   8           HB2      MET   8  -9.584  -4.569   3.992
   60    HB3  MET   8           HB3      MET   8 -10.549  -3.098   4.073
   61    HG2  MET   8           HG2      MET   8 -11.179  -3.444   1.645
   62    HG3  MET   8           HG3      MET   8 -10.425  -5.035   1.734
   63    HE1  MET   8           HE1      MET   8 -12.693  -6.962   4.234
   64    HE2  MET   8           HE2      MET   8 -11.456  -7.114   2.967
   65    HE3  MET   8           HE3      MET   8 -11.112  -6.204   4.455
   66    H    GLN   9           H        GLN   9  -7.175  -1.276   2.090
   67    HA   GLN   9           HA       GLN   9  -5.576  -0.863   4.253
   68    HB2  GLN   9           HB2      GLN   9  -4.656   1.066   2.923
   69    HB3  GLN   9           HB3      GLN   9  -4.796  -0.452   2.100
   70    HG2  GLN   9           HG2      GLN   9  -5.458   1.593   0.746
   71    HG3  GLN   9           HG3      GLN   9  -6.629   0.280   0.755
   72   HE21  GLN   9          HE21      GLN   9  -6.031   3.632   1.843
   73   HE22  GLN   9          HE22      GLN   9  -7.694   3.861   2.358
   74    H    THR  10           H        THR  10  -8.174  -0.253   5.461
   75    HA   THR  10           HA       THR  10  -8.897   1.154   7.157
   76    HB   THR  10           HB       THR  10  -5.914   1.574   7.524
   77    HG1  THR  10           HG1      THR  10  -5.983  -0.393   8.592
   78   HG21  THR  10          HG21      THR  10  -8.208   1.232   9.508
   79   HG22  THR  10          HG22      THR  10  -7.345   2.749   9.184
   80   HG23  THR  10          HG23      THR  10  -6.489   1.393   9.926
   81    H    CYS  11           H        CYS  11  -9.710   2.580   5.351
   82    HA   CYS  11           HA       CYS  11  -8.083   4.798   4.533
   83    HB2  CYS  11           HB2      CYS  11  -9.800   3.422   3.162
   84    HB3  CYS  11           HB3      CYS  11 -10.983   4.593   3.750
   85    H    ASP  12           H        ASP  12  -8.031   5.324   6.966
   86    HA   ASP  12           HA       ASP  12  -9.711   7.605   7.696
   87    HB2  ASP  12           HB2      ASP  12  -7.066   6.491   8.694
   88    HB3  ASP  12           HB3      ASP  12  -7.790   7.988   9.288
   89    H    SER  13           H        SER  13  -8.822   9.819   7.852
   90    HA   SER  13           HA       SER  13  -8.270  10.718   5.259
   91    HB2  SER  13           HB2      SER  13  -9.309  12.078   7.008
   92    HB3  SER  13           HB3      SER  13  -7.757  12.215   7.838
   93    HG   SER  13           HG       SER  13  -8.469  13.967   6.366
   94    H    GLU  14           H        GLU  14  -5.783  10.176   7.812
   95    HA   GLU  14           HA       GLU  14  -3.659  11.257   6.179
   96    HB2  GLU  14           HB2      GLU  14  -2.137  10.358   7.796
   97    HB3  GLU  14           HB3      GLU  14  -3.474  11.170   8.598
   98    HG2  GLU  14           HG2      GLU  14  -4.496   9.033   9.203
   99    HG3  GLU  14           HG3      GLU  14  -3.297   8.144   8.265
  100    H    ARG  15           H        ARG  15  -5.267   8.235   5.774
  101    HA   ARG  15           HA       ARG  15  -2.827   6.808   4.909
  102    HB2  ARG  15           HB2      ARG  15  -5.203   6.024   6.184
  103    HB3  ARG  15           HB3      ARG  15  -5.387   5.359   4.576
  104    HG2  ARG  15           HG2      ARG  15  -2.866   4.956   6.274
  105    HG3  ARG  15           HG3      ARG  15  -4.274   3.895   6.384
  106    HD2  ARG  15           HD2      ARG  15  -4.111   3.278   4.026
  107    HD3  ARG  15           HD3      ARG  15  -2.800   4.467   3.775
  108    HE   ARG  15           HE       ARG  15  -1.265   3.068   4.732
  109   HH11  ARG  15          HH11      ARG  15  -4.449   1.735   5.513
  110   HH12  ARG  15          HH12      ARG  15  -3.700   0.312   6.249
  111   HH21  ARG  15          HH21      ARG  15  -0.514   1.160   5.672
  112   HH22  ARG  15          HH22      ARG  15  -1.673  -0.012   6.269
  113    H    LYS  16           H        LYS  16  -2.258   6.342   2.898
  114    HA   LYS  16           HA       LYS  16  -3.326   7.450   0.503
  115    HB2  LYS  16           HB2      LYS  16  -1.701   4.915   1.010
  116    HB3  LYS  16           HB3      LYS  16  -2.035   5.532  -0.598
  117    HG2  LYS  16           HG2      LYS  16  -0.480   7.076   1.521
  118    HG3  LYS  16           HG3      LYS  16   0.220   6.055   0.264
  119    HD2  LYS  16           HD2      LYS  16  -1.129   7.552  -1.413
  120    HD3  LYS  16           HD3      LYS  16  -1.219   8.705  -0.073
  121    HE2  LYS  16           HE2      LYS  16   1.336   7.472  -1.224
  122    HE3  LYS  16           HE3      LYS  16   0.713   9.072  -1.649
  123    HZ1  LYS  16           HZ1      LYS  16   1.064   9.788   0.620
  124    HZ2  LYS  16           HZ2      LYS  16   2.446   9.173   0.041
  125    HZ3  LYS  16           HZ3      LYS  16   1.550   8.303   1.104
  126    H    CYS  17           H        CYS  17  -4.626   6.647  -1.135
  127    HA   CYS  17           HA       CYS  17  -6.168   4.117  -0.633
  128    HB2  CYS  17           HB2      CYS  17  -7.565   6.115  -0.306
  129    HB3  CYS  17           HB3      CYS  17  -7.123   6.687  -1.909
  130    H    CYS  18           H        CYS  18  -4.377   3.093  -1.729
  131    HA   CYS  18           HA       CYS  18  -3.300   4.007  -4.120
  132    HB2  CYS  18           HB2      CYS  18  -2.986   1.167  -3.268
  133    HB3  CYS  18           HB3      CYS  18  -1.813   2.233  -3.978
  134    H    GLU  19           H        GLU  19  -6.151   3.484  -4.567
  135    HA   GLU  19           HA       GLU  19  -5.731   2.497  -7.288
  136    HB2  GLU  19           HB2      GLU  19  -7.965   1.502  -5.498
  137    HB3  GLU  19           HB3      GLU  19  -8.185   1.602  -7.235
  138    HG2  GLU  19           HG2      GLU  19  -5.992  -0.063  -6.010
  139    HG3  GLU  19           HG3      GLU  19  -7.618  -0.640  -6.361
  140    H    GLY  20           H        GLY  20  -6.948   4.938  -5.187
  141    HA2  GLY  20           HA2      GLY  20  -8.067   6.890  -5.592
  142    HA3  GLY  20           HA3      GLY  20  -7.816   6.615  -7.316
  143    H    MET  21           H        MET  21  -9.831   5.329  -4.634
  144    HA   MET  21           HA       MET  21 -12.147   4.977  -6.505
  145    HB2  MET  21           HB2      MET  21 -10.967   2.962  -4.549
  146    HB3  MET  21           HB3      MET  21 -12.452   2.712  -5.475
  147    HG2  MET  21           HG2      MET  21  -9.750   3.205  -6.750
  148    HG3  MET  21           HG3      MET  21 -10.417   1.618  -6.437
  149    HE1  MET  21           HE1      MET  21  -9.479   3.043  -9.449
  150    HE2  MET  21           HE2      MET  21  -9.670   1.332  -8.994
  151    HE3  MET  21           HE3      MET  21 -10.586   2.006 -10.359
  152    H    VAL  22           H        VAL  22 -13.864   3.749  -4.657
  153    HA   VAL  22           HA       VAL  22 -14.866   5.619  -2.778
  154    HB   VAL  22           HB       VAL  22 -14.777   2.603  -2.392
  155   HG11  VAL  22          HG11      VAL  22 -15.644   3.801  -0.437
  156   HG12  VAL  22          HG12      VAL  22 -16.792   4.693  -1.471
  157   HG13  VAL  22          HG13      VAL  22 -16.951   2.945  -1.245
  158   HG21  VAL  22          HG21      VAL  22 -16.940   2.450  -3.552
  159   HG22  VAL  22          HG22      VAL  22 -16.811   4.155  -4.016
  160   HG23  VAL  22          HG23      VAL  22 -15.653   2.959  -4.644
  161    H    CYS  23           H        CYS  23 -14.276   6.132  -0.675
  162    HA   CYS  23           HA       CYS  23 -12.172   4.576   0.736
  163    HB2  CYS  23           HB2      CYS  23 -10.983   6.420  -0.252
  164    HB3  CYS  23           HB3      CYS  23 -12.229   7.554   0.259
  165    H    ARG  24           H        ARG  24 -13.785   3.651   1.993
  166    HA   ARG  24           HA       ARG  24 -14.900   5.326   4.159
  167    HB2  ARG  24           HB2      ARG  24 -16.661   3.769   2.216
  168    HB3  ARG  24           HB3      ARG  24 -17.092   3.919   3.908
  169    HG2  ARG  24           HG2      ARG  24 -18.208   5.756   3.244
  170    HG3  ARG  24           HG3      ARG  24 -16.634   6.519   3.510
  171    HD2  ARG  24           HD2      ARG  24 -16.193   5.942   0.981
  172    HD3  ARG  24           HD3      ARG  24 -17.931   5.634   0.892
  173    HE   ARG  24           HE       ARG  24 -17.545   8.058   2.300
  174   HH11  ARG  24          HH11      ARG  24 -17.292   7.051  -1.070
  175   HH12  ARG  24          HH12      ARG  24 -17.250   8.698  -1.577
  176   HH21  ARG  24          HH21      ARG  24 -17.561   9.976   1.562
  177   HH22  ARG  24          HH22      ARG  24 -17.394  10.371  -0.145
  178    H    LEU  25           H        LEU  25 -13.895   4.429   5.774
  179    HA   LEU  25           HA       LEU  25 -12.513   3.099   6.936
  180    HB2  LEU  25           HB2      LEU  25 -14.818   1.215   6.419
  181    HB3  LEU  25           HB3      LEU  25 -13.405   0.646   7.290
  182    HG   LEU  25           HG       LEU  25 -14.861   3.166   8.158
  183   HD11  LEU  25          HD11      LEU  25 -16.515   1.391   8.168
  184   HD12  LEU  25          HD12      LEU  25 -16.029   1.749   9.826
  185   HD13  LEU  25          HD13      LEU  25 -15.398   0.295   9.017
  186   HD21  LEU  25          HD21      LEU  25 -13.854   2.594  10.351
  187   HD22  LEU  25          HD22      LEU  25 -12.603   2.807   9.126
  188   HD23  LEU  25          HD23      LEU  25 -13.076   1.170   9.636
  189    H    TRP  26           H        TRP  26 -13.091   1.945   3.722
  190    HA   TRP  26           HA       TRP  26 -10.306   1.107   3.406
  191    HB2  TRP  26           HB2      TRP  26 -11.332  -1.024   2.232
  192    HB3  TRP  26           HB3      TRP  26 -11.002  -0.950   3.948
  193    HD1  TRP  26           HD1      TRP  26 -12.870  -1.450   5.569
  194    HE1  TRP  26           HE1      TRP  26 -15.436  -1.598   5.514
  195    HE3  TRP  26           HE3      TRP  26 -13.706   0.072   0.763
  196    HZ2  TRP  26           HZ2      TRP  26 -17.550  -1.250   3.623
  197    HZ3  TRP  26           HZ3      TRP  26 -16.020   0.299  -0.087
  198    HH2  TRP  26           HH2      TRP  26 -17.951  -0.380   1.319
  199    H    CYS  27           H        CYS  27  -9.875   0.536   1.093
  200    HA   CYS  27           HA       CYS  27 -11.674   1.868  -0.844
  201    HB2  CYS  27           HB2      CYS  27  -8.660   1.527  -1.013
  202    HB3  CYS  27           HB3      CYS  27  -9.699   2.175  -2.288
  203    H    LYS  28           H        LYS  28 -12.291   0.888  -2.618
  204    HA   LYS  28           HA       LYS  28 -11.505  -1.934  -3.149
  205    HB2  LYS  28           HB2      LYS  28 -14.344  -0.953  -2.743
  206    HB3  LYS  28           HB3      LYS  28 -13.941  -2.487  -3.507
  207    HG2  LYS  28           HG2      LYS  28 -12.746  -3.248  -1.485
  208    HG3  LYS  28           HG3      LYS  28 -13.053  -1.699  -0.699
  209    HD2  LYS  28           HD2      LYS  28 -15.472  -2.080  -0.817
  210    HD3  LYS  28           HD3      LYS  28 -15.222  -3.648  -1.571
  211    HE2  LYS  28           HE2      LYS  28 -14.282  -4.612   0.348
  212    HE3  LYS  28           HE3      LYS  28 -13.811  -3.046   1.034
  213    HZ1  LYS  28           HZ1      LYS  28 -16.641  -3.806   0.675
  214    HZ2  LYS  28           HZ2      LYS  28 -16.061  -2.550   1.520
  215    HZ3  LYS  28           HZ3      LYS  28 -15.856  -4.072   2.093
  216    H    LYS  29           H        LYS  29 -14.135  -1.086  -5.128
  217    HA   LYS  29           HA       LYS  29 -12.524   0.544  -6.951
  218    HB2  LYS  29           HB2      LYS  29 -12.555  -2.250  -7.345
  219    HB3  LYS  29           HB3      LYS  29 -13.701  -1.638  -8.532
  220    HG2  LYS  29           HG2      LYS  29 -11.967  -0.002  -9.313
  221    HG3  LYS  29           HG3      LYS  29 -10.865  -0.610  -8.073
  222    HD2  LYS  29           HD2      LYS  29 -10.091  -1.659  -9.953
  223    HD3  LYS  29           HD3      LYS  29 -11.115  -2.914  -9.251
  224    HE2  LYS  29           HE2      LYS  29 -12.882  -2.457 -10.858
  225    HE3  LYS  29           HE3      LYS  29 -12.083  -0.960 -11.373
  226    HZ1  LYS  29           HZ1      LYS  29 -11.067  -3.709 -11.902
  227    HZ2  LYS  29           HZ2      LYS  29 -10.238  -2.307 -12.184
  228    HZ3  LYS  29           HZ3      LYS  29 -11.612  -2.593 -12.988
  229    H    LYS  30           H        LYS  30 -13.618   1.919  -8.161
  230    HA   LYS  30           HA       LYS  30 -16.305   1.507  -9.079
  231    HB2  LYS  30           HB2      LYS  30 -16.797   2.227  -6.763
  232    HB3  LYS  30           HB3      LYS  30 -15.995   3.761  -7.072
  233    HG2  LYS  30           HG2      LYS  30 -17.835   4.620  -8.068
  234    HG3  LYS  30           HG3      LYS  30 -18.049   3.233  -9.102
  235    HD2  LYS  30           HD2      LYS  30 -20.029   3.447  -7.907
  236    HD3  LYS  30           HD3      LYS  30 -19.201   1.988  -7.347
  237    HE2  LYS  30           HE2      LYS  30 -18.455   3.129  -5.325
  238    HE3  LYS  30           HE3      LYS  30 -19.131   4.662  -5.893
  239    HZ1  LYS  30           HZ1      LYS  30 -20.785   2.237  -5.385
  240    HZ2  LYS  30           HZ2      LYS  30 -21.340   3.723  -5.750
  241    HZ3  LYS  30           HZ3      LYS  30 -20.572   3.514  -4.334
  242    H    LEU  31           H        LEU  31 -13.320   3.153  -9.449
  243    HA   LEU  31           HA       LEU  31 -14.329   4.608 -11.823
  244    HB2  LEU  31           HB2      LEU  31 -12.513   5.648 -10.691
  245    HB3  LEU  31           HB3      LEU  31 -11.589   4.160 -10.629
  246    HG   LEU  31           HG       LEU  31 -11.191   4.200 -13.032
  247   HD11  LEU  31          HD11      LEU  31 -12.796   6.796 -13.012
  248   HD12  LEU  31          HD12      LEU  31 -13.206   5.293 -13.870
  249   HD13  LEU  31          HD13      LEU  31 -11.791   6.219 -14.357
  250   HD21  LEU  31          HD21      LEU  31  -9.763   6.206 -13.069
  251   HD22  LEU  31          HD22      LEU  31  -9.648   5.368 -11.514
  252   HD23  LEU  31          HD23      LEU  31 -10.611   6.857 -11.651
  253    H    LEU  32           H        LEU  32 -15.303   3.131 -13.073
  254    HA   LEU  32           HA       LEU  32 -14.056   1.170 -14.666
  255    HB2  LEU  32           HB2      LEU  32 -14.788  -0.939 -13.674
  256    HB3  LEU  32           HB3      LEU  32 -13.734  -0.111 -12.578
  257    HG   LEU  32           HG       LEU  32 -16.169   0.870 -11.685
  258   HD11  LEU  32          HD11      LEU  32 -17.764  -1.023 -11.606
  259   HD12  LEU  32          HD12      LEU  32 -16.681  -2.014 -12.593
  260   HD13  LEU  32          HD13      LEU  32 -17.466  -0.583 -13.278
  261   HD21  LEU  32          HD21      LEU  32 -15.974  -0.754  -9.880
  262   HD22  LEU  32          HD22      LEU  32 -14.369  -0.167 -10.343
  263   HD23  LEU  32          HD23      LEU  32 -14.921  -1.780 -10.869
  Start of MODEL   12
    1    H1   GLY   1           H1       GLY   1   3.825   1.723  -2.042
    2    H2   GLY   1           H2       GLY   1   4.177   0.581  -3.168
    3    H3   GLY   1           H3       GLY   1   2.759   1.411  -3.255
    4    HA2  GLY   1           HA2      GLY   1   3.514  -0.415  -1.070
    5    HA3  GLY   1           HA3      GLY   1   1.965   0.423  -1.234
    6    HA   PRO   2           HA       PRO   2   2.409  -3.314  -4.369
    7    HB2  PRO   2           HB2      PRO   2   2.877  -5.650  -3.010
    8    HB3  PRO   2           HB3      PRO   2   4.190  -4.586  -3.590
    9    HG2  PRO   2           HG2      PRO   2   2.958  -4.627  -0.820
   10    HG3  PRO   2           HG3      PRO   2   4.691  -4.729  -1.245
   11    HD2  PRO   2           HD2      PRO   2   3.548  -2.403  -0.537
   12    HD3  PRO   2           HD3      PRO   2   4.729  -2.446  -1.886
   13    H    TYR   3           H        TYR   3   0.931  -3.252  -1.184
   14    HA   TYR   3           HA       TYR   3  -1.567  -4.343  -2.275
   15    HB2  TYR   3           HB2      TYR   3  -1.869  -5.693  -0.133
   16    HB3  TYR   3           HB3      TYR   3  -0.832  -6.306  -1.410
   17    HD1  TYR   3           HD1      TYR   3   1.338  -7.047  -0.911
   18    HD2  TYR   3           HD2      TYR   3  -0.646  -4.349   1.819
   19    HE1  TYR   3           HE1      TYR   3   3.260  -7.188   0.651
   20    HE2  TYR   3           HE2      TYR   3   1.322  -4.423   3.324
   21    HH   TYR   3           HH       TYR   3   3.618  -4.967   3.382
   22    H    CYS   4           H        CYS   4  -3.447  -3.554  -1.557
   23    HA   CYS   4           HA       CYS   4  -3.620  -2.271   0.986
   24    HB2  CYS   4           HB2      CYS   4  -4.386   0.011  -0.184
   25    HB3  CYS   4           HB3      CYS   4  -2.772  -0.319   0.385
   26    H    GLN   5           H        GLN   5  -5.337  -1.898  -2.155
   27    HA   GLN   5           HA       GLN   5  -7.953  -1.916  -1.043
   28    HB2  GLN   5           HB2      GLN   5  -7.622  -0.937  -3.138
   29    HB3  GLN   5           HB3      GLN   5  -6.740  -2.303  -3.796
   30    HG2  GLN   5           HG2      GLN   5  -9.657  -2.603  -3.055
   31    HG3  GLN   5           HG3      GLN   5  -9.183  -1.773  -4.529
   32   HE21  GLN   5          HE21      GLN   5  -7.517  -3.159  -5.959
   33   HE22  GLN   5          HE22      GLN   5  -7.816  -4.901  -5.959
   34    H    LYS   6           H        LYS   6  -6.154  -4.506  -2.623
   35    HA   LYS   6           HA       LYS   6  -8.100  -6.511  -2.470
   36    HB2  LYS   6           HB2      LYS   6  -5.671  -6.132  -3.681
   37    HB3  LYS   6           HB3      LYS   6  -5.198  -7.307  -2.457
   38    HG2  LYS   6           HG2      LYS   6  -6.874  -8.897  -3.335
   39    HG3  LYS   6           HG3      LYS   6  -7.530  -7.644  -4.393
   40    HD2  LYS   6           HD2      LYS   6  -5.326  -7.494  -5.578
   41    HD3  LYS   6           HD3      LYS   6  -4.705  -8.787  -4.547
   42    HE2  LYS   6           HE2      LYS   6  -5.331  -9.638  -6.738
   43    HE3  LYS   6           HE3      LYS   6  -6.324 -10.368  -5.475
   44    HZ1  LYS   6           HZ1      LYS   6  -7.222  -8.088  -7.162
   45    HZ2  LYS   6           HZ2      LYS   6  -8.134  -8.921  -6.081
   46    HZ3  LYS   6           HZ3      LYS   6  -7.617  -9.679  -7.425
   47    H    TRP   7           H        TRP   7  -6.445  -5.246   0.142
   48    HA   TRP   7           HA       TRP   7  -7.105  -7.471   1.971
   49    HB2  TRP   7           HB2      TRP   7  -4.664  -7.513   0.835
   50    HB3  TRP   7           HB3      TRP   7  -4.281  -6.365   2.050
   51    HD1  TRP   7           HD1      TRP   7  -3.998  -9.796   1.312
   52    HE1  TRP   7           HE1      TRP   7  -3.786 -11.371   3.327
   53    HE3  TRP   7           HE3      TRP   7  -5.961  -6.776   5.012
   54    HZ2  TRP   7           HZ2      TRP   7  -4.315 -11.324   6.115
   55    HZ3  TRP   7           HZ3      TRP   7  -6.190  -7.630   7.289
   56    HH2  TRP   7           HH2      TRP   7  -5.356  -9.890   7.878
   57    H    MET   8           H        MET   8  -8.456  -5.161   1.758
   58    HA   MET   8           HA       MET   8  -9.221  -3.331   2.971
   59    HB2  MET   8           HB2      MET   8  -8.896  -5.643   4.912
   60    HB3  MET   8           HB3      MET   8  -9.937  -4.238   5.186
   61    HG2  MET   8           HG2      MET   8 -11.106  -4.738   3.018
   62    HG3  MET   8           HG3      MET   8 -10.216  -6.260   2.953
   63    HE1  MET   8           HE1      MET   8 -13.783  -7.459   3.854
   64    HE2  MET   8           HE2      MET   8 -13.560  -5.913   2.998
   65    HE3  MET   8           HE3      MET   8 -12.522  -7.311   2.617
   66    H    GLN   9           H        GLN   9  -6.727  -2.404   2.738
   67    HA   GLN   9           HA       GLN   9  -5.099  -2.101   4.883
   68    HB2  GLN   9           HB2      GLN   9  -4.196  -0.143   3.727
   69    HB3  GLN   9           HB3      GLN   9  -4.537  -1.457   2.642
   70    HG2  GLN   9           HG2      GLN   9  -6.186  -0.301   1.497
   71    HG3  GLN   9           HG3      GLN   9  -6.791   0.471   2.926
   72   HE21  GLN   9          HE21      GLN   9  -6.848   2.611   2.212
   73   HE22  GLN   9          HE22      GLN   9  -5.481   3.437   1.497
   74    H    THR  10           H        THR  10  -8.165  -0.809   5.321
   75    HA   THR  10           HA       THR  10  -9.119   0.938   6.400
   76    HB   THR  10           HB       THR  10  -6.511   1.492   7.785
   77    HG1  THR  10           HG1      THR  10  -7.123  -0.418   8.501
   78   HG21  THR  10          HG21      THR  10  -9.380   2.372   8.321
   79   HG22  THR  10          HG22      THR  10  -7.985   3.418   7.973
   80   HG23  THR  10          HG23      THR  10  -8.039   2.509   9.477
   81    H    CYS  11           H        CYS  11  -9.586   3.201   6.076
   82    HA   CYS  11           HA       CYS  11  -7.858   4.737   4.317
   83    HB2  CYS  11           HB2      CYS  11  -9.214   2.870   2.991
   84    HB3  CYS  11           HB3      CYS  11 -10.502   4.065   3.068
   85    H    ASP  12           H        ASP  12  -8.286   6.884   4.517
   86    HA   ASP  12           HA       ASP  12 -10.627   7.848   6.056
   87    HB2  ASP  12           HB2      ASP  12  -7.764   8.214   7.013
   88    HB3  ASP  12           HB3      ASP  12  -9.246   8.615   7.865
   89    H    SER  13           H        SER  13 -10.432  10.351   6.146
   90    HA   SER  13           HA       SER  13  -9.778  11.578   3.738
   91    HB2  SER  13           HB2      SER  13 -11.199  12.577   5.390
   92    HB3  SER  13           HB3      SER  13  -9.856  12.775   6.518
   93    HG   SER  13           HG       SER  13 -10.673  14.534   4.923
   94    H    GLU  14           H        GLU  14  -7.597  11.235   6.528
   95    HA   GLU  14           HA       GLU  14  -5.347  12.700   5.526
   96    HB2  GLU  14           HB2      GLU  14  -5.580  12.200   7.845
   97    HB3  GLU  14           HB3      GLU  14  -5.777  10.477   7.545
   98    HG2  GLU  14           HG2      GLU  14  -3.406  10.287   6.887
   99    HG3  GLU  14           HG3      GLU  14  -3.201  12.024   7.115
  100    H    ARG  15           H        ARG  15  -6.444   9.446   4.720
  101    HA   ARG  15           HA       ARG  15  -3.612   8.611   4.331
  102    HB2  ARG  15           HB2      ARG  15  -4.745   7.725   6.268
  103    HB3  ARG  15           HB3      ARG  15  -6.054   7.076   5.293
  104    HG2  ARG  15           HG2      ARG  15  -3.306   6.180   4.482
  105    HG3  ARG  15           HG3      ARG  15  -3.791   5.683   6.092
  106    HD2  ARG  15           HD2      ARG  15  -5.787   4.604   5.252
  107    HD3  ARG  15           HD3      ARG  15  -5.548   5.327   3.620
  108    HE   ARG  15           HE       ARG  15  -3.962   3.730   3.143
  109   HH11  ARG  15          HH11      ARG  15  -4.450   3.658   6.656
  110   HH12  ARG  15          HH12      ARG  15  -3.599   2.146   6.784
  111   HH21  ARG  15          HH21      ARG  15  -2.971   1.794   3.455
  112   HH22  ARG  15          HH22      ARG  15  -2.546   1.310   5.105
  113    H    LYS  16           H        LYS  16  -2.885   7.515   2.688
  114    HA   LYS  16           HA       LYS  16  -3.888   8.042   0.173
  115    HB2  LYS  16           HB2      LYS  16  -2.158   6.645  -0.716
  116    HB3  LYS  16           HB3      LYS  16  -1.551   7.467   0.715
  117    HG2  LYS  16           HG2      LYS  16  -2.063   5.279   2.008
  118    HG3  LYS  16           HG3      LYS  16  -2.322   4.535   0.428
  119    HD2  LYS  16           HD2      LYS  16   0.005   5.239  -0.235
  120    HD3  LYS  16           HD3      LYS  16   0.237   5.840   1.422
  121    HE2  LYS  16           HE2      LYS  16  -0.301   3.540   2.282
  122    HE3  LYS  16           HE3      LYS  16  -0.417   2.965   0.612
  123    HZ1  LYS  16           HZ1      LYS  16   2.010   4.058   1.932
  124    HZ2  LYS  16           HZ2      LYS  16   1.958   3.653   0.342
  125    HZ3  LYS  16           HZ3      LYS  16   1.781   2.494   1.459
  126    H    CYS  17           H        CYS  17  -5.389   7.303  -1.118
  127    HA   CYS  17           HA       CYS  17  -6.740   4.726  -0.566
  128    HB2  CYS  17           HB2      CYS  17  -7.942   6.933  -1.126
  129    HB3  CYS  17           HB3      CYS  17  -7.399   6.677  -2.771
  130    H    CYS  18           H        CYS  18  -5.855   3.010  -1.402
  131    HA   CYS  18           HA       CYS  18  -3.742   2.485  -2.926
  132    HB2  CYS  18           HB2      CYS  18  -5.541   0.980  -1.775
  133    HB3  CYS  18           HB3      CYS  18  -6.322   0.944  -3.351
  134    H    GLU  19           H        GLU  19  -6.950   3.041  -4.421
  135    HA   GLU  19           HA       GLU  19  -5.675   3.355  -7.106
  136    HB2  GLU  19           HB2      GLU  19  -8.343   2.038  -6.532
  137    HB3  GLU  19           HB3      GLU  19  -7.553   2.221  -8.109
  138    HG2  GLU  19           HG2      GLU  19  -5.793   0.654  -7.430
  139    HG3  GLU  19           HG3      GLU  19  -6.493   0.517  -5.817
  140    H    GLY  20           H        GLY  20  -6.476   5.404  -5.043
  141    HA2  GLY  20           HA2      GLY  20  -7.400   7.499  -5.028
  142    HA3  GLY  20           HA3      GLY  20  -7.566   7.335  -6.779
  143    H    MET  21           H        MET  21  -9.361   5.071  -4.984
  144    HA   MET  21           HA       MET  21 -11.885   5.956  -6.029
  145    HB2  MET  21           HB2      MET  21 -11.256   3.726  -4.060
  146    HB3  MET  21           HB3      MET  21 -12.710   3.853  -5.047
  147    HG2  MET  21           HG2      MET  21  -9.928   3.567  -6.221
  148    HG3  MET  21           HG3      MET  21 -10.966   2.228  -5.824
  149    HE1  MET  21           HE1      MET  21 -10.298   1.470  -8.087
  150    HE2  MET  21           HE2      MET  21 -10.884   2.107  -9.629
  151    HE3  MET  21           HE3      MET  21  -9.601   2.959  -8.759
  152    H    VAL  22           H        VAL  22 -13.831   5.405  -4.312
  153    HA   VAL  22           HA       VAL  22 -14.116   7.118  -2.036
  154    HB   VAL  22           HB       VAL  22 -15.225   4.404  -2.838
  155   HG11  VAL  22          HG11      VAL  22 -15.908   5.896  -0.274
  156   HG12  VAL  22          HG12      VAL  22 -16.874   4.581  -0.983
  157   HG13  VAL  22          HG13      VAL  22 -15.240   4.252  -0.408
  158   HG21  VAL  22          HG21      VAL  22 -16.567   7.113  -2.420
  159   HG22  VAL  22          HG22      VAL  22 -16.014   6.492  -3.985
  160   HG23  VAL  22          HG23      VAL  22 -17.303   5.649  -3.111
  161    H    CYS  23           H        CYS  23 -13.336   7.005  -0.031
  162    HA   CYS  23           HA       CYS  23 -11.473   4.828   0.789
  163    HB2  CYS  23           HB2      CYS  23 -10.358   6.725  -0.338
  164    HB3  CYS  23           HB3      CYS  23 -11.078   7.833   0.798
  165    H    ARG  24           H        ARG  24 -13.245   4.102   2.085
  166    HA   ARG  24           HA       ARG  24 -13.377   5.299   4.781
  167    HB2  ARG  24           HB2      ARG  24 -15.840   4.966   2.998
  168    HB3  ARG  24           HB3      ARG  24 -15.927   4.893   4.751
  169    HG2  ARG  24           HG2      ARG  24 -16.355   7.112   4.610
  170    HG3  ARG  24           HG3      ARG  24 -14.603   7.206   4.583
  171    HD2  ARG  24           HD2      ARG  24 -15.212   8.553   2.793
  172    HD3  ARG  24           HD3      ARG  24 -14.812   7.035   1.983
  173    HE   ARG  24           HE       ARG  24 -17.587   7.053   2.735
  174   HH11  ARG  24          HH11      ARG  24 -15.447   8.719   0.492
  175   HH12  ARG  24          HH12      ARG  24 -16.782   9.144  -0.569
  176   HH21  ARG  24          HH21      ARG  24 -19.190   7.536   1.301
  177   HH22  ARG  24          HH22      ARG  24 -18.846   8.456  -0.137
  178    H    LEU  25           H        LEU  25 -12.827   3.686   6.046
  179    HA   LEU  25           HA       LEU  25 -12.267   1.675   6.847
  180    HB2  LEU  25           HB2      LEU  25 -14.554   0.423   5.317
  181    HB3  LEU  25           HB3      LEU  25 -13.648  -0.283   6.642
  182    HG   LEU  25           HG       LEU  25 -15.521   2.119   6.844
  183   HD11  LEU  25          HD11      LEU  25 -15.722  -0.759   7.813
  184   HD12  LEU  25          HD12      LEU  25 -16.656  -0.031   6.471
  185   HD13  LEU  25          HD13      LEU  25 -16.907   0.517   8.139
  186   HD21  LEU  25          HD21      LEU  25 -13.719   2.275   8.549
  187   HD22  LEU  25          HD22      LEU  25 -14.020   0.596   9.031
  188   HD23  LEU  25          HD23      LEU  25 -15.257   1.845   9.300
  189    H    TRP  26           H        TRP  26 -12.809   1.637   3.336
  190    HA   TRP  26           HA       TRP  26 -10.065   0.640   3.028
  191    HB2  TRP  26           HB2      TRP  26 -11.526  -0.800   1.064
  192    HB3  TRP  26           HB3      TRP  26 -10.538  -1.418   2.359
  193    HD1  TRP  26           HD1      TRP  26 -11.753  -2.731   4.258
  194    HE1  TRP  26           HE1      TRP  26 -14.175  -3.297   4.856
  195    HE3  TRP  26           HE3      TRP  26 -14.103   0.427   1.002
  196    HZ2  TRP  26           HZ2      TRP  26 -16.792  -2.215   4.262
  197    HZ3  TRP  26           HZ3      TRP  26 -16.549   0.748   1.140
  198    HH2  TRP  26           HH2      TRP  26 -17.908  -0.534   2.790
  199    H    CYS  27           H        CYS  27  -9.278   0.880   0.889
  200    HA   CYS  27           HA       CYS  27 -10.743   2.714  -0.947
  201    HB2  CYS  27           HB2      CYS  27  -8.208   2.997  -0.441
  202    HB3  CYS  27           HB3      CYS  27  -7.993   1.488  -1.326
  203    H    LYS  28           H        LYS  28 -12.024   1.579  -2.428
  204    HA   LYS  28           HA       LYS  28 -11.313  -1.276  -2.961
  205    HB2  LYS  28           HB2      LYS  28 -13.427  -0.511  -1.363
  206    HB3  LYS  28           HB3      LYS  28 -14.226  -0.740  -2.896
  207    HG2  LYS  28           HG2      LYS  28 -14.276  -2.863  -1.821
  208    HG3  LYS  28           HG3      LYS  28 -12.983  -3.021  -3.015
  209    HD2  LYS  28           HD2      LYS  28 -11.330  -2.418  -1.136
  210    HD3  LYS  28           HD3      LYS  28 -12.690  -2.506  -0.019
  211    HE2  LYS  28           HE2      LYS  28 -11.655  -4.775  -1.769
  212    HE3  LYS  28           HE3      LYS  28 -11.274  -4.542  -0.066
  213    HZ1  LYS  28           HZ1      LYS  28 -13.738  -4.689   0.359
  214    HZ2  LYS  28           HZ2      LYS  28 -13.110  -6.094  -0.242
  215    HZ3  LYS  28           HZ3      LYS  28 -13.977  -5.107  -1.182
  216    H    LYS  29           H        LYS  29 -14.063  -0.721  -4.759
  217    HA   LYS  29           HA       LYS  29 -12.605   0.812  -6.837
  218    HB2  LYS  29           HB2      LYS  29 -12.526  -1.735  -7.274
  219    HB3  LYS  29           HB3      LYS  29 -14.234  -1.602  -7.669
  220    HG2  LYS  29           HG2      LYS  29 -13.722   0.100  -9.391
  221    HG3  LYS  29           HG3      LYS  29 -12.024   0.092  -8.938
  222    HD2  LYS  29           HD2      LYS  29 -13.492  -2.337 -10.020
  223    HD3  LYS  29           HD3      LYS  29 -12.585  -1.210 -11.024
  224    HE2  LYS  29           HE2      LYS  29 -11.417  -2.913  -8.772
  225    HE3  LYS  29           HE3      LYS  29 -11.324  -3.253 -10.504
  226    HZ1  LYS  29           HZ1      LYS  29 -10.239  -0.905 -10.585
  227    HZ2  LYS  29           HZ2      LYS  29  -9.340  -2.210 -10.131
  228    HZ3  LYS  29           HZ3      LYS  29  -9.868  -1.161  -9.013
  229    H    LYS  30           H        LYS  30 -13.693   2.398  -7.555
  230    HA   LYS  30           HA       LYS  30 -16.691   2.408  -7.665
  231    HB2  LYS  30           HB2      LYS  30 -15.069   4.155  -6.213
  232    HB3  LYS  30           HB3      LYS  30 -15.316   5.034  -7.716
  233    HG2  LYS  30           HG2      LYS  30 -17.510   3.891  -5.937
  234    HG3  LYS  30           HG3      LYS  30 -16.958   5.565  -5.921
  235    HD2  LYS  30           HD2      LYS  30 -17.686   5.882  -8.244
  236    HD3  LYS  30           HD3      LYS  30 -18.264   4.218  -8.320
  237    HE2  LYS  30           HE2      LYS  30 -19.325   6.312  -6.388
  238    HE3  LYS  30           HE3      LYS  30 -20.056   5.885  -7.935
  239    HZ1  LYS  30           HZ1      LYS  30 -20.151   3.546  -7.028
  240    HZ2  LYS  30           HZ2      LYS  30 -21.176   4.616  -6.336
  241    HZ3  LYS  30           HZ3      LYS  30 -19.814   4.161  -5.537
  242    H    LEU  31           H        LEU  31 -13.677   3.108  -9.398
  243    HA   LEU  31           HA       LEU  31 -14.897   4.013 -11.850
  244    HB2  LEU  31           HB2      LEU  31 -12.143   3.138 -10.966
  245    HB3  LEU  31           HB3      LEU  31 -12.455   3.371 -12.658
  246    HG   LEU  31           HG       LEU  31 -11.368   5.279 -11.487
  247   HD11  LEU  31          HD11      LEU  31 -12.401   5.503 -13.682
  248   HD12  LEU  31          HD12      LEU  31 -12.613   6.980 -12.737
  249   HD13  LEU  31          HD13      LEU  31 -13.974   5.858 -12.933
  250   HD21  LEU  31          HD21      LEU  31 -12.711   5.407  -9.424
  251   HD22  LEU  31          HD22      LEU  31 -14.140   5.888 -10.385
  252   HD23  LEU  31          HD23      LEU  31 -12.708   6.924 -10.324
  253    H    LEU  32           H        LEU  32 -16.359   1.877 -11.200
  254    HA   LEU  32           HA       LEU  32 -15.686  -0.445 -12.973
  255    HB2  LEU  32           HB2      LEU  32 -17.880   0.318 -10.964
  256    HB3  LEU  32           HB3      LEU  32 -18.067  -1.071 -12.039
  257    HG   LEU  32           HG       LEU  32 -15.557  -0.821 -10.343
  258   HD11  LEU  32          HD11      LEU  32 -17.437  -0.577  -8.776
  259   HD12  LEU  32          HD12      LEU  32 -16.663  -2.156  -8.590
  260   HD13  LEU  32          HD13      LEU  32 -18.211  -2.023  -9.457
  261   HD21  LEU  32          HD21      LEU  32 -15.603  -2.572 -12.118
  262   HD22  LEU  32          HD22      LEU  32 -17.125  -3.204 -11.459
  263   HD23  LEU  32          HD23      LEU  32 -15.636  -3.310 -10.511
  Start of MODEL   13
    1    H1   GLY   1           H1       GLY   1   1.998  -0.953   1.642
    2    H2   GLY   1           H2       GLY   1   1.998  -2.519   2.120
    3    H3   GLY   1           H3       GLY   1   3.193  -1.511   2.646
    4    HA2  GLY   1           HA2      GLY   1   4.104  -1.304   0.482
    5    HA3  GLY   1           HA3      GLY   1   3.981  -3.012   0.936
    6    HA   PRO   2           HA       PRO   2   2.170  -2.748  -3.174
    7    HB2  PRO   2           HB2      PRO   2   2.389  -5.352  -3.970
    8    HB3  PRO   2           HB3      PRO   2   3.798  -4.267  -3.781
    9    HG2  PRO   2           HG2      PRO   2   2.702  -6.250  -1.757
   10    HG3  PRO   2           HG3      PRO   2   4.382  -6.103  -2.342
   11    HD2  PRO   2           HD2      PRO   2   3.593  -4.925  -0.027
   12    HD3  PRO   2           HD3      PRO   2   4.719  -4.087  -1.142
   13    H    TYR   3           H        TYR   3   0.543  -3.871  -0.529
   14    HA   TYR   3           HA       TYR   3  -1.899  -4.319  -2.114
   15    HB2  TYR   3           HB2      TYR   3  -2.699  -6.006  -0.481
   16    HB3  TYR   3           HB3      TYR   3  -1.390  -6.498  -1.534
   17    HD1  TYR   3           HD1      TYR   3   0.872  -6.972  -0.680
   18    HD2  TYR   3           HD2      TYR   3  -2.291  -5.683   1.932
   19    HE1  TYR   3           HE1      TYR   3   2.244  -7.629   1.302
   20    HE2  TYR   3           HE2      TYR   3  -0.961  -6.399   3.897
   21    HH   TYR   3           HH       TYR   3   2.219  -7.927   3.653
   22    H    CYS   4           H        CYS   4  -3.633  -3.216  -1.688
   23    HA   CYS   4           HA       CYS   4  -4.055  -2.091   0.982
   24    HB2  CYS   4           HB2      CYS   4  -4.281   0.238  -0.371
   25    HB3  CYS   4           HB3      CYS   4  -2.898  -0.258   0.554
   26    H    GLN   5           H        GLN   5  -5.320  -1.679  -2.396
   27    HA   GLN   5           HA       GLN   5  -8.076  -1.372  -1.495
   28    HB2  GLN   5           HB2      GLN   5  -7.442  -0.457  -3.607
   29    HB3  GLN   5           HB3      GLN   5  -6.807  -1.986  -4.199
   30    HG2  GLN   5           HG2      GLN   5  -9.755  -1.676  -3.516
   31    HG3  GLN   5           HG3      GLN   5  -9.116  -1.088  -5.038
   32   HE21  GLN   5          HE21      GLN   5  -7.900  -2.751  -6.418
   33   HE22  GLN   5          HE22      GLN   5  -8.410  -4.440  -6.265
   34    H    LYS   6           H        LYS   6  -6.119  -4.010  -2.749
   35    HA   LYS   6           HA       LYS   6  -8.082  -6.092  -2.601
   36    HB2  LYS   6           HB2      LYS   6  -6.025  -5.675  -4.082
   37    HB3  LYS   6           HB3      LYS   6  -5.046  -6.310  -2.762
   38    HG2  LYS   6           HG2      LYS   6  -5.897  -8.491  -3.061
   39    HG3  LYS   6           HG3      LYS   6  -7.339  -7.928  -3.913
   40    HD2  LYS   6           HD2      LYS   6  -5.928  -7.131  -5.803
   41    HD3  LYS   6           HD3      LYS   6  -4.483  -7.749  -4.999
   42    HE2  LYS   6           HE2      LYS   6  -6.873  -9.505  -5.689
   43    HE3  LYS   6           HE3      LYS   6  -5.595  -9.160  -6.864
   44    HZ1  LYS   6           HZ1      LYS   6  -3.994 -10.161  -5.372
   45    HZ2  LYS   6           HZ2      LYS   6  -5.214 -11.210  -5.681
   46    HZ3  LYS   6           HZ3      LYS   6  -5.190 -10.469  -4.240
   47    H    TRP   7           H        TRP   7  -6.838  -4.561   0.003
   48    HA   TRP   7           HA       TRP   7  -7.072  -6.899   1.799
   49    HB2  TRP   7           HB2      TRP   7  -4.682  -6.632   0.796
   50    HB3  TRP   7           HB3      TRP   7  -4.552  -5.225   1.836
   51    HD1  TRP   7           HD1      TRP   7  -3.827  -5.762   4.309
   52    HE1  TRP   7           HE1      TRP   7  -3.332  -7.918   5.655
   53    HE3  TRP   7           HE3      TRP   7  -5.996  -9.152   1.185
   54    HZ2  TRP   7           HZ2      TRP   7  -3.752 -10.736   5.346
   55    HZ3  TRP   7           HZ3      TRP   7  -5.980 -11.597   1.765
   56    HH2  TRP   7           HH2      TRP   7  -4.800 -12.376   3.795
   57    H    MET   8           H        MET   8  -8.450  -4.223   1.360
   58    HA   MET   8           HA       MET   8  -9.408  -2.568   2.591
   59    HB2  MET   8           HB2      MET   8  -9.221  -4.764   4.677
   60    HB3  MET   8           HB3      MET   8 -10.224  -3.322   4.851
   61    HG2  MET   8           HG2      MET   8 -11.640  -3.938   3.031
   62    HG3  MET   8           HG3      MET   8 -10.522  -5.187   2.489
   63    HE1  MET   8           HE1      MET   8 -13.023  -5.675   6.387
   64    HE2  MET   8           HE2      MET   8 -11.830  -4.380   6.180
   65    HE3  MET   8           HE3      MET   8 -13.359  -4.357   5.256
   66    H    GLN   9           H        GLN   9  -7.262  -1.422   2.362
   67    HA   GLN   9           HA       GLN   9  -5.415  -1.131   4.379
   68    HB2  GLN   9           HB2      GLN   9  -4.613   0.763   3.093
   69    HB3  GLN   9           HB3      GLN   9  -5.066  -0.570   2.071
   70    HG2  GLN   9           HG2      GLN   9  -7.139   0.492   1.369
   71    HG3  GLN   9           HG3      GLN   9  -6.962   1.765   2.577
   72   HE21  GLN   9          HE21      GLN   9  -4.250   2.477   2.226
   73   HE22  GLN   9          HE22      GLN   9  -4.118   3.232   0.648
   74    H    THR  10           H        THR  10  -7.875  -0.620   5.913
   75    HA   THR  10           HA       THR  10  -8.863   0.900   7.346
   76    HB   THR  10           HB       THR  10  -6.008   1.688   8.010
   77    HG1  THR  10           HG1      THR  10  -6.009  -0.106   9.323
   78   HG21  THR  10          HG21      THR  10  -7.731   2.782   9.356
   79   HG22  THR  10          HG22      THR  10  -7.018   1.502  10.338
   80   HG23  THR  10          HG23      THR  10  -8.592   1.245   9.571
   81    H    CYS  11           H        CYS  11  -9.541   2.107   5.324
   82    HA   CYS  11           HA       CYS  11  -7.910   4.346   4.515
   83    HB2  CYS  11           HB2      CYS  11  -9.343   2.700   3.132
   84    HB3  CYS  11           HB3      CYS  11 -10.648   3.867   3.379
   85    H    ASP  12           H        ASP  12  -7.879   5.498   6.441
   86    HA   ASP  12           HA       ASP  12 -10.121   7.133   7.312
   87    HB2  ASP  12           HB2      ASP  12  -7.137   7.158   7.916
   88    HB3  ASP  12           HB3      ASP  12  -8.291   8.273   8.648
   89    H    SER  13           H        SER  13  -9.957   9.556   7.367
   90    HA   SER  13           HA       SER  13 -10.302  10.663   4.904
   91    HB2  SER  13           HB2      SER  13 -11.079  11.892   6.672
   92    HB3  SER  13           HB3      SER  13  -9.565  11.794   7.570
   93    HG   SER  13           HG       SER  13  -8.965  13.586   6.758
   94    H    GLU  14           H        GLU  14  -7.120  10.716   6.538
   95    HA   GLU  14           HA       GLU  14  -5.889  12.016   4.182
   96    HB2  GLU  14           HB2      GLU  14  -4.680  11.373   6.904
   97    HB3  GLU  14           HB3      GLU  14  -4.000  12.384   5.637
   98    HG2  GLU  14           HG2      GLU  14  -4.876  13.910   7.175
   99    HG3  GLU  14           HG3      GLU  14  -6.011  13.910   5.831
  100    H    ARG  15           H        ARG  15  -6.623   8.917   4.497
  101    HA   ARG  15           HA       ARG  15  -3.944   7.758   4.522
  102    HB2  ARG  15           HB2      ARG  15  -6.128   6.850   5.578
  103    HB3  ARG  15           HB3      ARG  15  -6.473   6.174   3.985
  104    HG2  ARG  15           HG2      ARG  15  -3.786   5.787   5.397
  105    HG3  ARG  15           HG3      ARG  15  -5.167   4.767   5.804
  106    HD2  ARG  15           HD2      ARG  15  -5.195   3.673   3.790
  107    HD3  ARG  15           HD3      ARG  15  -4.534   5.049   2.870
  108    HE   ARG  15           HE       ARG  15  -2.369   4.402   3.375
  109   HH11  ARG  15          HH11      ARG  15  -4.484   2.536   5.532
  110   HH12  ARG  15          HH12      ARG  15  -3.073   1.967   6.420
  111   HH21  ARG  15          HH21      ARG  15  -0.697   3.251   4.440
  112   HH22  ARG  15          HH22      ARG  15  -1.155   2.293   5.820
  113    H    LYS  16           H        LYS  16  -2.676   7.465   2.803
  114    HA   LYS  16           HA       LYS  16  -3.317   8.058   0.144
  115    HB2  LYS  16           HB2      LYS  16  -1.255   6.894  -0.503
  116    HB3  LYS  16           HB3      LYS  16  -1.070   8.118   0.731
  117    HG2  LYS  16           HG2      LYS  16  -0.526   6.606   2.412
  118    HG3  LYS  16           HG3      LYS  16  -1.311   5.235   1.644
  119    HD2  LYS  16           HD2      LYS  16   1.148   6.579   0.466
  120    HD3  LYS  16           HD3      LYS  16   1.244   5.244   1.626
  121    HE2  LYS  16           HE2      LYS  16   0.066   3.742   0.146
  122    HE3  LYS  16           HE3      LYS  16  -0.321   5.047  -0.982
  123    HZ1  LYS  16           HZ1      LYS  16   2.463   4.174  -0.400
  124    HZ2  LYS  16           HZ2      LYS  16   2.022   5.274  -1.485
  125    HZ3  LYS  16           HZ3      LYS  16   1.578   3.734  -1.757
  126    H    CYS  17           H        CYS  17  -5.055   7.224  -0.802
  127    HA   CYS  17           HA       CYS  17  -5.804   4.485  -0.706
  128    HB2  CYS  17           HB2      CYS  17  -7.413   6.207  -1.217
  129    HB3  CYS  17           HB3      CYS  17  -6.525   6.656  -2.678
  130    H    CYS  18           H        CYS  18  -5.439   2.774  -1.939
  131    HA   CYS  18           HA       CYS  18  -3.076   2.310  -3.313
  132    HB2  CYS  18           HB2      CYS  18  -5.132   0.867  -2.266
  133    HB3  CYS  18           HB3      CYS  18  -5.537   0.713  -3.955
  134    H    GLU  19           H        GLU  19  -6.124   3.390  -4.673
  135    HA   GLU  19           HA       GLU  19  -5.092   3.200  -7.489
  136    HB2  GLU  19           HB2      GLU  19  -7.800   2.408  -6.366
  137    HB3  GLU  19           HB3      GLU  19  -7.410   2.489  -8.092
  138    HG2  GLU  19           HG2      GLU  19  -5.708   0.709  -7.766
  139    HG3  GLU  19           HG3      GLU  19  -6.149   0.601  -6.062
  140    H    GLY  20           H        GLY  20  -6.832   5.141  -5.156
  141    HA2  GLY  20           HA2      GLY  20  -7.792   7.287  -5.402
  142    HA3  GLY  20           HA3      GLY  20  -7.599   7.181  -7.158
  143    H    MET  21           H        MET  21  -9.456   5.880  -4.417
  144    HA   MET  21           HA       MET  21 -11.874   5.436  -6.059
  145    HB2  MET  21           HB2      MET  21 -10.534   3.300  -4.347
  146    HB3  MET  21           HB3      MET  21 -12.138   3.186  -5.053
  147    HG2  MET  21           HG2      MET  21  -9.642   3.515  -6.701
  148    HG3  MET  21           HG3      MET  21 -10.312   1.951  -6.258
  149    HE1  MET  21           HE1      MET  21  -9.652   3.827  -8.997
  150    HE2  MET  21           HE2      MET  21  -9.769   2.058  -9.063
  151    HE3  MET  21           HE3      MET  21 -10.747   3.057 -10.156
  152    H    VAL  22           H        VAL  22 -13.659   4.554  -4.418
  153    HA   VAL  22           HA       VAL  22 -14.164   6.549  -2.420
  154    HB   VAL  22           HB       VAL  22 -15.357   3.786  -2.923
  155   HG11  VAL  22          HG11      VAL  22 -16.329   5.978  -1.051
  156   HG12  VAL  22          HG12      VAL  22 -17.285   4.562  -1.540
  157   HG13  VAL  22          HG13      VAL  22 -15.825   4.330  -0.582
  158   HG21  VAL  22          HG21      VAL  22 -16.399   6.596  -3.511
  159   HG22  VAL  22          HG22      VAL  22 -15.722   5.485  -4.714
  160   HG23  VAL  22          HG23      VAL  22 -17.227   5.068  -3.879
  161    H    CYS  23           H        CYS  23 -13.382   6.734  -0.432
  162    HA   CYS  23           HA       CYS  23 -11.807   4.535   0.817
  163    HB2  CYS  23           HB2      CYS  23 -10.500   6.297  -0.205
  164    HB3  CYS  23           HB3      CYS  23 -11.411   7.523   0.659
  165    H    ARG  24           H        ARG  24 -13.316   3.728   2.248
  166    HA   ARG  24           HA       ARG  24 -13.884   5.248   4.715
  167    HB2  ARG  24           HB2      ARG  24 -16.185   4.030   3.101
  168    HB3  ARG  24           HB3      ARG  24 -16.262   4.562   4.763
  169    HG2  ARG  24           HG2      ARG  24 -17.205   6.372   3.780
  170    HG3  ARG  24           HG3      ARG  24 -15.518   6.926   3.791
  171    HD2  ARG  24           HD2      ARG  24 -15.289   6.096   1.420
  172    HD3  ARG  24           HD3      ARG  24 -16.927   5.444   1.513
  173    HE   ARG  24           HE       ARG  24 -16.237   8.364   1.802
  174   HH11  ARG  24          HH11      ARG  24 -18.380   5.863   0.488
  175   HH12  ARG  24          HH12      ARG  24 -19.462   7.050  -0.177
  176   HH21  ARG  24          HH21      ARG  24 -17.802   9.751   1.131
  177   HH22  ARG  24          HH22      ARG  24 -19.260   9.171   0.368
  178    H    LEU  25           H        LEU  25 -13.042   3.859   6.145
  179    HA   LEU  25           HA       LEU  25 -12.045   2.073   7.071
  180    HB2  LEU  25           HB2      LEU  25 -14.449   0.516   6.038
  181    HB3  LEU  25           HB3      LEU  25 -13.158  -0.153   7.015
  182    HG   LEU  25           HG       LEU  25 -13.685   1.644   8.772
  183   HD11  LEU  25          HD11      LEU  25 -16.057   2.384   8.812
  184   HD12  LEU  25          HD12      LEU  25 -16.266   1.767   7.147
  185   HD13  LEU  25          HD13      LEU  25 -15.169   3.125   7.489
  186   HD21  LEU  25          HD21      LEU  25 -15.738  -0.520   8.130
  187   HD22  LEU  25          HD22      LEU  25 -15.477   0.247   9.715
  188   HD23  LEU  25          HD23      LEU  25 -14.209  -0.754   9.010
  189    H    TRP  26           H        TRP  26 -12.930   1.453   3.716
  190    HA   TRP  26           HA       TRP  26 -10.199   0.456   3.165
  191    HB2  TRP  26           HB2      TRP  26 -11.520  -1.136   1.517
  192    HB3  TRP  26           HB3      TRP  26 -11.170  -1.542   3.175
  193    HD1  TRP  26           HD1      TRP  26 -12.982  -2.215   4.723
  194    HE1  TRP  26           HE1      TRP  26 -15.533  -2.292   4.748
  195    HE3  TRP  26           HE3      TRP  26 -13.892   0.668   0.590
  196    HZ2  TRP  26           HZ2      TRP  26 -17.696  -1.196   3.194
  197    HZ3  TRP  26           HZ3      TRP  26 -16.211   1.251  -0.026
  198    HH2  TRP  26           HH2      TRP  26 -18.132   0.294   1.240
  199    H    CYS  27           H        CYS  27  -9.588   0.641   0.853
  200    HA   CYS  27           HA       CYS  27 -11.129   2.774  -0.519
  201    HB2  CYS  27           HB2      CYS  27  -8.497   2.954  -0.091
  202    HB3  CYS  27           HB3      CYS  27  -8.472   2.018  -1.585
  203    H    LYS  28           H        LYS  28 -12.526   1.957  -2.059
  204    HA   LYS  28           HA       LYS  28 -11.848  -0.713  -3.215
  205    HB2  LYS  28           HB2      LYS  28 -14.355   0.022  -1.728
  206    HB3  LYS  28           HB3      LYS  28 -14.311  -1.308  -2.869
  207    HG2  LYS  28           HG2      LYS  28 -12.560  -1.091  -0.400
  208    HG3  LYS  28           HG3      LYS  28 -14.012  -2.077  -0.562
  209    HD2  LYS  28           HD2      LYS  28 -12.807  -3.283  -2.494
  210    HD3  LYS  28           HD3      LYS  28 -11.335  -2.475  -1.943
  211    HE2  LYS  28           HE2      LYS  28 -11.624  -3.465   0.311
  212    HE3  LYS  28           HE3      LYS  28 -13.117  -4.260  -0.231
  213    HZ1  LYS  28           HZ1      LYS  28 -11.810  -5.491  -1.854
  214    HZ2  LYS  28           HZ2      LYS  28 -11.241  -5.795  -0.372
  215    HZ3  LYS  28           HZ3      LYS  28 -10.423  -4.760  -1.372
  216    H    LYS  29           H        LYS  29 -12.574  -1.434  -4.936
  217    HA   LYS  29           HA       LYS  29 -12.441   0.461  -7.045
  218    HB2  LYS  29           HB2      LYS  29 -11.194  -1.674  -6.679
  219    HB3  LYS  29           HB3      LYS  29 -12.652  -2.575  -7.095
  220    HG2  LYS  29           HG2      LYS  29 -12.566  -1.557  -9.394
  221    HG3  LYS  29           HG3      LYS  29 -11.133  -0.653  -8.895
  222    HD2  LYS  29           HD2      LYS  29 -10.253  -3.101  -8.184
  223    HD3  LYS  29           HD3      LYS  29 -11.481  -3.639  -9.326
  224    HE2  LYS  29           HE2      LYS  29  -9.291  -3.529 -10.379
  225    HE3  LYS  29           HE3      LYS  29 -10.357  -2.321 -11.115
  226    HZ1  LYS  29           HZ1      LYS  29  -8.085  -1.482 -10.527
  227    HZ2  LYS  29           HZ2      LYS  29  -8.456  -1.614  -8.916
  228    HZ3  LYS  29           HZ3      LYS  29  -9.292  -0.613  -9.880
  229    H    LYS  30           H        LYS  30 -14.573   1.506  -6.741
  230    HA   LYS  30           HA       LYS  30 -16.850   0.103  -8.028
  231    HB2  LYS  30           HB2      LYS  30 -18.181   1.944  -7.482
  232    HB3  LYS  30           HB3      LYS  30 -17.183   1.632  -6.077
  233    HG2  LYS  30           HG2      LYS  30 -16.081   3.588  -6.176
  234    HG3  LYS  30           HG3      LYS  30 -16.040   3.675  -7.929
  235    HD2  LYS  30           HD2      LYS  30 -18.685   4.063  -6.499
  236    HD3  LYS  30           HD3      LYS  30 -17.494   5.354  -6.546
  237    HE2  LYS  30           HE2      LYS  30 -18.973   5.757  -8.337
  238    HE3  LYS  30           HE3      LYS  30 -17.425   5.274  -9.010
  239    HZ1  LYS  30           HZ1      LYS  30 -19.809   3.506  -8.787
  240    HZ2  LYS  30           HZ2      LYS  30 -18.379   3.093  -9.495
  241    HZ3  LYS  30           HZ3      LYS  30 -19.306   4.245 -10.160
  242    H    LEU  31           H        LEU  31 -14.175   1.678  -9.331
  243    HA   LEU  31           HA       LEU  31 -15.572   3.136 -11.440
  244    HB2  LEU  31           HB2      LEU  31 -13.476   3.904 -10.442
  245    HB3  LEU  31           HB3      LEU  31 -12.632   2.483 -11.057
  246    HG   LEU  31           HG       LEU  31 -14.113   4.177 -13.064
  247   HD11  LEU  31          HD11      LEU  31 -11.457   5.035 -11.856
  248   HD12  LEU  31          HD12      LEU  31 -13.026   5.870 -11.653
  249   HD13  LEU  31          HD13      LEU  31 -12.279   5.766 -13.248
  250   HD21  LEU  31          HD21      LEU  31 -12.117   3.689 -14.450
  251   HD22  LEU  31          HD22      LEU  31 -12.813   2.197 -13.835
  252   HD23  LEU  31          HD23      LEU  31 -11.349   2.864 -13.079
  253    H    LEU  32           H        LEU  32 -16.304   2.333 -13.305
  254    HA   LEU  32           HA       LEU  32 -14.916   0.211 -14.737
  255    HB2  LEU  32           HB2      LEU  32 -16.557  -1.462 -14.674
  256    HB3  LEU  32           HB3      LEU  32 -16.289  -1.043 -12.991
  257    HG   LEU  32           HG       LEU  32 -18.663  -0.079 -14.702
  258   HD11  LEU  32          HD11      LEU  32 -18.512  -2.220 -12.542
  259   HD12  LEU  32          HD12      LEU  32 -18.699  -2.507 -14.284
  260   HD13  LEU  32          HD13      LEU  32 -19.975  -1.681 -13.388
  261   HD21  LEU  32          HD21      LEU  32 -18.253   1.500 -12.810
  262   HD22  LEU  32          HD22      LEU  32 -18.215   0.124 -11.684
  263   HD23  LEU  32          HD23      LEU  32 -19.706   0.554 -12.544
  Start of MODEL   14
    1    H1   GLY   1           H1       GLY   1   2.726  -4.379   3.430
    2    H2   GLY   1           H2       GLY   1   1.271  -4.954   3.939
    3    H3   GLY   1           H3       GLY   1   2.647  -5.847   4.163
    4    HA2  GLY   1           HA2      GLY   1   2.917  -6.224   1.868
    5    HA3  GLY   1           HA3      GLY   1   1.264  -6.682   2.330
    6    HA   PRO   2           HA       PRO   2   1.750  -2.954  -0.668
    7    HB2  PRO   2           HB2      PRO   2   2.046  -3.965  -3.188
    8    HB3  PRO   2           HB3      PRO   2   3.413  -3.774  -2.047
    9    HG2  PRO   2           HG2      PRO   2   1.774  -6.269  -2.610
   10    HG3  PRO   2           HG3      PRO   2   3.562  -6.101  -2.576
   11    HD2  PRO   2           HD2      PRO   2   2.169  -7.015  -0.421
   12    HD3  PRO   2           HD3      PRO   2   3.599  -5.956  -0.238
   13    H    TYR   3           H        TYR   3  -0.369  -5.737  -0.850
   14    HA   TYR   3           HA       TYR   3  -2.010  -4.636  -2.945
   15    HB2  TYR   3           HB2      TYR   3  -1.991  -7.246  -1.555
   16    HB3  TYR   3           HB3      TYR   3  -3.369  -6.773  -2.527
   17    HD1  TYR   3           HD1      TYR   3  -0.045  -8.143  -2.622
   18    HD2  TYR   3           HD2      TYR   3  -3.121  -6.197  -4.946
   19    HE1  TYR   3           HE1      TYR   3   0.908  -9.107  -4.711
   20    HE2  TYR   3           HE2      TYR   3  -2.158  -7.182  -7.027
   21    HH   TYR   3           HH       TYR   3   0.628  -9.408  -6.961
   22    H    CYS   4           H        CYS   4  -2.174  -2.732  -1.302
   23    HA   CYS   4           HA       CYS   4  -3.679  -2.413   0.820
   24    HB2  CYS   4           HB2      CYS   4  -4.377  -0.115  -0.334
   25    HB3  CYS   4           HB3      CYS   4  -2.750  -0.496   0.159
   26    H    GLN   5           H        GLN   5  -5.339  -2.393  -2.354
   27    HA   GLN   5           HA       GLN   5  -7.962  -1.967  -1.285
   28    HB2  GLN   5           HB2      GLN   5  -7.447  -1.258  -3.448
   29    HB3  GLN   5           HB3      GLN   5  -6.784  -2.803  -3.939
   30    HG2  GLN   5           HG2      GLN   5  -9.701  -2.788  -3.216
   31    HG3  GLN   5           HG3      GLN   5  -9.230  -1.870  -4.646
   32   HE21  GLN   5          HE21      GLN   5  -7.756  -3.058  -6.276
   33   HE22  GLN   5          HE22      GLN   5  -8.103  -4.762  -6.501
   34    H    LYS   6           H        LYS   6  -6.237  -4.952  -2.119
   35    HA   LYS   6           HA       LYS   6  -8.445  -6.765  -1.490
   36    HB2  LYS   6           HB2      LYS   6  -5.531  -7.063  -2.184
   37    HB3  LYS   6           HB3      LYS   6  -6.428  -8.442  -1.549
   38    HG2  LYS   6           HG2      LYS   6  -7.922  -8.501  -3.357
   39    HG3  LYS   6           HG3      LYS   6  -7.499  -6.881  -3.919
   40    HD2  LYS   6           HD2      LYS   6  -5.520  -7.522  -4.904
   41    HD3  LYS   6           HD3      LYS   6  -5.275  -8.905  -3.847
   42    HE2  LYS   6           HE2      LYS   6  -7.478  -8.782  -5.950
   43    HE3  LYS   6           HE3      LYS   6  -5.864  -9.436  -6.263
   44    HZ1  LYS   6           HZ1      LYS   6  -7.634 -10.491  -4.134
   45    HZ2  LYS   6           HZ2      LYS   6  -6.211 -11.114  -4.599
   46    HZ3  LYS   6           HZ3      LYS   6  -7.497 -11.152  -5.633
   47    H    TRP   7           H        TRP   7  -5.620  -5.573   0.237
   48    HA   TRP   7           HA       TRP   7  -6.131  -7.196   2.608
   49    HB2  TRP   7           HB2      TRP   7  -3.957  -5.467   1.597
   50    HB3  TRP   7           HB3      TRP   7  -4.182  -5.383   3.326
   51    HD1  TRP   7           HD1      TRP   7  -3.623  -7.440   4.773
   52    HE1  TRP   7           HE1      TRP   7  -2.762  -9.814   4.380
   53    HE3  TRP   7           HE3      TRP   7  -4.017  -7.566  -0.289
   54    HZ2  TRP   7           HZ2      TRP   7  -2.237 -11.545   2.116
   55    HZ3  TRP   7           HZ3      TRP   7  -3.428  -9.624  -1.547
   56    HH2  TRP   7           HH2      TRP   7  -2.523 -11.604  -0.365
   57    H    MET   8           H        MET   8  -7.595  -4.432   1.634
   58    HA   MET   8           HA       MET   8  -8.940  -2.898   2.601
   59    HB2  MET   8           HB2      MET   8  -8.924  -4.749   5.001
   60    HB3  MET   8           HB3      MET   8 -10.010  -3.391   4.791
   61    HG2  MET   8           HG2      MET   8 -11.248  -4.425   3.127
   62    HG3  MET   8           HG3      MET   8  -9.930  -5.470   2.609
   63    HE1  MET   8           HE1      MET   8  -9.300  -7.656   3.433
   64    HE2  MET   8           HE2      MET   8  -8.836  -7.052   5.042
   65    HE3  MET   8           HE3      MET   8  -9.903  -8.461   4.890
   66    H    GLN   9           H        GLN   9  -6.843  -1.773   2.358
   67    HA   GLN   9           HA       GLN   9  -5.097  -0.986   4.318
   68    HB2  GLN   9           HB2      GLN   9  -4.544   0.829   2.757
   69    HB3  GLN   9           HB3      GLN   9  -4.809  -0.682   1.935
   70    HG2  GLN   9           HG2      GLN   9  -6.615   0.100   0.754
   71    HG3  GLN   9           HG3      GLN   9  -7.328   0.877   2.159
   72   HE21  GLN   9          HE21      GLN   9  -5.874   2.870   2.949
   73   HE22  GLN   9          HE22      GLN   9  -5.432   3.969   1.626
   74    H    THR  10           H        THR  10  -7.693  -0.642   5.589
   75    HA   THR  10           HA       THR  10  -8.893   0.785   6.938
   76    HB   THR  10           HB       THR  10  -6.092   1.502   7.811
   77    HG1  THR  10           HG1      THR  10  -6.102  -0.443   8.785
   78   HG21  THR  10          HG21      THR  10  -7.681   2.524   9.278
   79   HG22  THR  10          HG22      THR  10  -7.371   0.960  10.053
   80   HG23  THR  10          HG23      THR  10  -8.831   1.189   9.094
   81    H    CYS  11           H        CYS  11  -9.506   2.092   4.962
   82    HA   CYS  11           HA       CYS  11  -8.128   4.647   4.676
   83    HB2  CYS  11           HB2      CYS  11  -9.310   2.978   2.900
   84    HB3  CYS  11           HB3      CYS  11 -10.556   4.212   3.058
   85    H    ASP  12           H        ASP  12  -9.149   6.750   4.769
   86    HA   ASP  12           HA       ASP  12 -10.759   7.073   7.231
   87    HB2  ASP  12           HB2      ASP  12  -8.607   5.632   7.631
   88    HB3  ASP  12           HB3      ASP  12  -7.691   7.077   7.205
   89    H    SER  13           H        SER  13  -9.792   9.334   8.201
   90    HA   SER  13           HA       SER  13  -9.981  11.397   6.211
   91    HB2  SER  13           HB2      SER  13 -10.497  11.843   8.528
   92    HB3  SER  13           HB3      SER  13  -8.845  11.429   8.990
   93    HG   SER  13           HG       SER  13  -9.838  13.770   7.924
   94    H    GLU  14           H        GLU  14  -7.019  10.148   7.866
   95    HA   GLU  14           HA       GLU  14  -5.394  11.938   6.200
   96    HB2  GLU  14           HB2      GLU  14  -5.313  11.603   8.711
   97    HB3  GLU  14           HB3      GLU  14  -4.456  10.096   8.413
   98    HG2  GLU  14           HG2      GLU  14  -2.572  11.230   7.477
   99    HG3  GLU  14           HG3      GLU  14  -3.498  12.703   7.194
  100    H    ARG  15           H        ARG  15  -6.622   9.340   5.041
  101    HA   ARG  15           HA       ARG  15  -4.145   7.794   4.500
  102    HB2  ARG  15           HB2      ARG  15  -7.032   7.102   4.684
  103    HB3  ARG  15           HB3      ARG  15  -6.053   6.144   3.579
  104    HG2  ARG  15           HG2      ARG  15  -4.994   6.709   6.374
  105    HG3  ARG  15           HG3      ARG  15  -6.220   5.461   6.137
  106    HD2  ARG  15           HD2      ARG  15  -4.889   4.158   4.715
  107    HD3  ARG  15           HD3      ARG  15  -3.786   5.520   4.331
  108    HE   ARG  15           HE       ARG  15  -2.951   5.445   6.633
  109   HH11  ARG  15          HH11      ARG  15  -4.653   2.463   5.710
  110   HH12  ARG  15          HH12      ARG  15  -3.533   1.503   6.664
  111   HH21  ARG  15          HH21      ARG  15  -1.697   4.183   7.787
  112   HH22  ARG  15          HH22      ARG  15  -2.035   2.472   7.946
  113    H    LYS  16           H        LYS  16  -3.072   7.849   2.815
  114    HA   LYS  16           HA       LYS  16  -3.953   8.528   0.144
  115    HB2  LYS  16           HB2      LYS  16  -1.922   7.420  -0.591
  116    HB3  LYS  16           HB3      LYS  16  -1.569   8.422   0.812
  117    HG2  LYS  16           HG2      LYS  16  -1.678   6.318   2.253
  118    HG3  LYS  16           HG3      LYS  16  -1.907   5.392   0.772
  119    HD2  LYS  16           HD2      LYS  16   0.307   5.200   0.634
  120    HD3  LYS  16           HD3      LYS  16   0.381   6.896   0.180
  121    HE2  LYS  16           HE2      LYS  16   0.630   5.747   3.002
  122    HE3  LYS  16           HE3      LYS  16   1.950   6.335   1.988
  123    HZ1  LYS  16           HZ1      LYS  16   1.368   8.038   3.519
  124    HZ2  LYS  16           HZ2      LYS  16  -0.220   8.008   3.146
  125    HZ3  LYS  16           HZ3      LYS  16   0.892   8.561   2.059
  126    H    CYS  17           H        CYS  17  -4.350   7.025  -1.593
  127    HA   CYS  17           HA       CYS  17  -5.898   4.627  -0.718
  128    HB2  CYS  17           HB2      CYS  17  -7.357   6.535  -0.837
  129    HB3  CYS  17           HB3      CYS  17  -6.743   6.943  -2.435
  130    H    CYS  18           H        CYS  18  -5.842   2.920  -1.910
  131    HA   CYS  18           HA       CYS  18  -3.738   2.275  -3.446
  132    HB2  CYS  18           HB2      CYS  18  -5.663   0.950  -2.206
  133    HB3  CYS  18           HB3      CYS  18  -6.362   0.827  -3.809
  134    H    GLU  19           H        GLU  19  -6.832   3.339  -4.886
  135    HA   GLU  19           HA       GLU  19  -5.569   3.506  -7.556
  136    HB2  GLU  19           HB2      GLU  19  -8.198   2.085  -7.298
  137    HB3  GLU  19           HB3      GLU  19  -7.182   2.266  -8.705
  138    HG2  GLU  19           HG2      GLU  19  -5.569   0.651  -7.774
  139    HG3  GLU  19           HG3      GLU  19  -6.530   0.504  -6.303
  140    H    GLY  20           H        GLY  20  -6.558   5.561  -5.671
  141    HA2  GLY  20           HA2      GLY  20  -7.600   7.596  -5.805
  142    HA3  GLY  20           HA3      GLY  20  -7.857   7.280  -7.517
  143    H    MET  21           H        MET  21  -9.403   4.931  -5.613
  144    HA   MET  21           HA       MET  21 -12.092   5.852  -6.226
  145    HB2  MET  21           HB2      MET  21 -12.748   3.753  -5.157
  146    HB3  MET  21           HB3      MET  21 -11.459   3.472  -6.321
  147    HG2  MET  21           HG2      MET  21 -10.785   3.940  -3.414
  148    HG3  MET  21           HG3      MET  21 -11.384   2.394  -3.907
  149    HE1  MET  21           HE1      MET  21 -10.019   1.021  -6.183
  150    HE2  MET  21           HE2      MET  21  -8.494   0.552  -5.408
  151    HE3  MET  21           HE3      MET  21  -9.976   0.502  -4.476
  152    H    VAL  22           H        VAL  22 -13.715   5.392  -4.248
  153    HA   VAL  22           HA       VAL  22 -13.411   7.479  -2.271
  154    HB   VAL  22           HB       VAL  22 -15.367   5.153  -2.479
  155   HG11  VAL  22          HG11      VAL  22 -15.460   7.627  -0.696
  156   HG12  VAL  22          HG12      VAL  22 -16.820   6.518  -0.976
  157   HG13  VAL  22          HG13      VAL  22 -15.373   5.920  -0.175
  158   HG21  VAL  22          HG21      VAL  22 -15.542   6.734  -4.379
  159   HG22  VAL  22          HG22      VAL  22 -16.940   6.877  -3.313
  160   HG23  VAL  22          HG23      VAL  22 -15.651   8.094  -3.243
  161    H    CYS  23           H        CYS  23 -12.943   7.358  -0.136
  162    HA   CYS  23           HA       CYS  23 -11.346   5.008   0.777
  163    HB2  CYS  23           HB2      CYS  23 -10.016   6.878  -0.041
  164    HB3  CYS  23           HB3      CYS  23 -10.928   8.007   0.941
  165    H    ARG  24           H        ARG  24 -13.176   4.159   1.900
  166    HA   ARG  24           HA       ARG  24 -13.626   5.373   4.588
  167    HB2  ARG  24           HB2      ARG  24 -15.821   4.777   2.576
  168    HB3  ARG  24           HB3      ARG  24 -16.093   4.559   4.296
  169    HG2  ARG  24           HG2      ARG  24 -16.880   6.667   4.091
  170    HG3  ARG  24           HG3      ARG  24 -15.210   7.002   4.559
  171    HD2  ARG  24           HD2      ARG  24 -14.683   7.241   2.038
  172    HD3  ARG  24           HD3      ARG  24 -16.409   7.006   1.748
  173    HE   ARG  24           HE       ARG  24 -16.788   9.162   2.403
  174   HH11  ARG  24          HH11      ARG  24 -13.572   8.309   3.557
  175   HH12  ARG  24          HH12      ARG  24 -13.327   9.821   4.345
  176   HH21  ARG  24          HH21      ARG  24 -16.385  11.115   3.291
  177   HH22  ARG  24          HH22      ARG  24 -14.956  11.417   4.248
  178    H    LEU  25           H        LEU  25 -12.847   3.939   5.859
  179    HA   LEU  25           HA       LEU  25 -12.154   2.096   6.875
  180    HB2  LEU  25           HB2      LEU  25 -14.590   0.731   5.667
  181    HB3  LEU  25           HB3      LEU  25 -13.490   0.027   6.836
  182    HG   LEU  25           HG       LEU  25 -14.045   2.004   8.394
  183   HD11  LEU  25          HD11      LEU  25 -15.238   3.523   6.890
  184   HD12  LEU  25          HD12      LEU  25 -16.324   2.953   8.128
  185   HD13  LEU  25          HD13      LEU  25 -16.411   2.253   6.477
  186   HD21  LEU  25          HD21      LEU  25 -14.814  -0.311   8.717
  187   HD22  LEU  25          HD22      LEU  25 -16.220   0.004   7.676
  188   HD23  LEU  25          HD23      LEU  25 -16.028   0.852   9.238
  189    H    TRP  26           H        TRP  26 -12.783   1.555   3.461
  190    HA   TRP  26           HA       TRP  26 -10.000   0.728   3.089
  191    HB2  TRP  26           HB2      TRP  26 -11.082  -1.117   1.454
  192    HB3  TRP  26           HB3      TRP  26 -10.575  -1.401   3.092
  193    HD1  TRP  26           HD1      TRP  26 -12.202  -2.578   4.600
  194    HE1  TRP  26           HE1      TRP  26 -14.704  -2.976   4.721
  195    HE3  TRP  26           HE3      TRP  26 -13.715   0.566   0.844
  196    HZ2  TRP  26           HZ2      TRP  26 -17.080  -2.068   3.403
  197    HZ3  TRP  26           HZ3      TRP  26 -16.125   0.937   0.475
  198    HH2  TRP  26           HH2      TRP  26 -17.821  -0.400   1.700
  199    H    CYS  27           H        CYS  27  -9.771   0.317   0.564
  200    HA   CYS  27           HA       CYS  27 -11.277   2.354  -0.995
  201    HB2  CYS  27           HB2      CYS  27  -8.338   2.157  -0.530
  202    HB3  CYS  27           HB3      CYS  27  -8.811   2.259  -2.205
  203    H    LYS  28           H        LYS  28 -12.549   1.099  -2.246
  204    HA   LYS  28           HA       LYS  28 -11.366  -1.239  -3.701
  205    HB2  LYS  28           HB2      LYS  28 -14.092  -0.947  -2.435
  206    HB3  LYS  28           HB3      LYS  28 -13.873  -1.943  -3.861
  207    HG2  LYS  28           HG2      LYS  28 -13.799  -3.334  -1.945
  208    HG3  LYS  28           HG3      LYS  28 -12.220  -3.354  -2.719
  209    HD2  LYS  28           HD2      LYS  28 -11.221  -2.146  -0.942
  210    HD3  LYS  28           HD3      LYS  28 -12.771  -1.505  -0.388
  211    HE2  LYS  28           HE2      LYS  28 -11.929  -3.185   1.178
  212    HE3  LYS  28           HE3      LYS  28 -13.453  -3.687   0.451
  213    HZ1  LYS  28           HZ1      LYS  28 -12.278  -5.170  -0.982
  214    HZ2  LYS  28           HZ2      LYS  28 -11.788  -5.486   0.511
  215    HZ3  LYS  28           HZ3      LYS  28 -10.793  -4.642  -0.514
  216    H    LYS  29           H        LYS  29 -11.838  -1.407  -5.917
  217    HA   LYS  29           HA       LYS  29 -12.062   1.112  -7.314
  218    HB2  LYS  29           HB2      LYS  29 -10.784  -0.732  -8.261
  219    HB3  LYS  29           HB3      LYS  29 -12.214  -1.766  -8.275
  220    HG2  LYS  29           HG2      LYS  29 -13.270  -0.094  -9.887
  221    HG3  LYS  29           HG3      LYS  29 -11.681   0.643 -10.042
  222    HD2  LYS  29           HD2      LYS  29 -11.997  -2.344 -10.527
  223    HD3  LYS  29           HD3      LYS  29 -12.634  -1.209 -11.696
  224    HE2  LYS  29           HE2      LYS  29 -10.585  -1.704 -12.572
  225    HE3  LYS  29           HE3      LYS  29 -10.328  -0.127 -11.820
  226    HZ1  LYS  29           HZ1      LYS  29  -9.624  -2.691 -10.508
  227    HZ2  LYS  29           HZ2      LYS  29  -9.124  -1.186 -10.051
  228    HZ3  LYS  29           HZ3      LYS  29  -8.572  -1.882 -11.448
  229    H    LYS  30           H        LYS  30 -13.817   2.277  -7.615
  230    HA   LYS  30           HA       LYS  30 -16.487   1.080  -7.901
  231    HB2  LYS  30           HB2      LYS  30 -15.891   1.193  -5.418
  232    HB3  LYS  30           HB3      LYS  30 -15.967   2.944  -5.549
  233    HG2  LYS  30           HG2      LYS  30 -18.235   1.002  -6.231
  234    HG3  LYS  30           HG3      LYS  30 -18.036   1.807  -4.673
  235    HD2  LYS  30           HD2      LYS  30 -18.262   4.019  -5.778
  236    HD3  LYS  30           HD3      LYS  30 -18.549   3.200  -7.331
  237    HE2  LYS  30           HE2      LYS  30 -20.556   2.163  -6.543
  238    HE3  LYS  30           HE3      LYS  30 -20.281   2.740  -4.883
  239    HZ1  LYS  30           HZ1      LYS  30 -20.588   4.549  -7.202
  240    HZ2  LYS  30           HZ2      LYS  30 -20.558   4.978  -5.623
  241    HZ3  LYS  30           HZ3      LYS  30 -21.849   4.153  -6.214
  242    H    LEU  31           H        LEU  31 -16.919   2.013  -9.736
  243    HA   LEU  31           HA       LEU  31 -16.933   4.859 -10.315
  244    HB2  LEU  31           HB2      LEU  31 -14.618   4.755 -10.441
  245    HB3  LEU  31           HB3      LEU  31 -14.570   3.105 -11.025
  246    HG   LEU  31           HG       LEU  31 -15.763   5.092 -12.914
  247   HD11  LEU  31          HD11      LEU  31 -12.808   5.080 -12.232
  248   HD12  LEU  31          HD12      LEU  31 -13.947   6.431 -12.075
  249   HD13  LEU  31          HD13      LEU  31 -13.522   5.820 -13.676
  250   HD21  LEU  31          HD21      LEU  31 -13.724   2.868 -13.246
  251   HD22  LEU  31          HD22      LEU  31 -14.464   3.807 -14.554
  252   HD23  LEU  31          HD23      LEU  31 -15.461   2.727 -13.573
  253    H    LEU  32           H        LEU  32 -18.095   5.240 -12.228
  254    HA   LEU  32           HA       LEU  32 -19.336   2.769 -13.434
  255    HB2  LEU  32           HB2      LEU  32 -21.277   4.100 -13.871
  256    HB3  LEU  32           HB3      LEU  32 -20.801   4.327 -12.195
  257    HG   LEU  32           HG       LEU  32 -19.448   6.454 -13.312
  258   HD11  LEU  32          HD11      LEU  32 -20.331   6.025 -15.633
  259   HD12  LEU  32          HD12      LEU  32 -20.904   7.556 -14.968
  260   HD13  LEU  32          HD13      LEU  32 -21.983   6.150 -15.000
  261   HD21  LEU  32          HD21      LEU  32 -21.037   6.520 -11.424
  262   HD22  LEU  32          HD22      LEU  32 -22.400   6.443 -12.556
  263   HD23  LEU  32          HD23      LEU  32 -21.312   7.851 -12.557
  Start of MODEL   15
    1    H1   GLY   1           H1       GLY   1   3.096  -5.768  -2.760
    2    H2   GLY   1           H2       GLY   1   3.387  -6.764  -4.042
    3    H3   GLY   1           H3       GLY   1   1.925  -6.796  -3.274
    4    HA2  GLY   1           HA2      GLY   1   3.341  -8.708  -2.713
    5    HA3  GLY   1           HA3      GLY   1   4.467  -7.542  -1.978
    6    HA   PRO   2           HA       PRO   2   1.140  -6.835   1.228
    7    HB2  PRO   2           HB2      PRO   2   1.828  -4.258   1.803
    8    HB3  PRO   2           HB3      PRO   2   2.698  -5.642   2.537
    9    HG2  PRO   2           HG2      PRO   2   3.495  -4.054   0.076
   10    HG3  PRO   2           HG3      PRO   2   4.497  -4.432   1.514
   11    HD2  PRO   2           HD2      PRO   2   4.646  -5.941  -0.723
   12    HD3  PRO   2           HD3      PRO   2   4.705  -6.707   0.885
   13    H    TYR   3           H        TYR   3  -0.641  -5.219   0.984
   14    HA   TYR   3           HA       TYR   3  -0.816  -3.803  -1.573
   15    HB2  TYR   3           HB2      TYR   3  -2.652  -6.132  -0.958
   16    HB3  TYR   3           HB3      TYR   3  -3.021  -4.902  -2.134
   17    HD1  TYR   3           HD1      TYR   3  -1.255  -7.987  -1.592
   18    HD2  TYR   3           HD2      TYR   3  -1.452  -4.486  -4.116
   19    HE1  TYR   3           HE1      TYR   3  -0.116  -9.229  -3.418
   20    HE2  TYR   3           HE2      TYR   3  -0.332  -5.743  -5.938
   21    HH   TYR   3           HH       TYR   3   0.144  -7.933  -6.678
   22    H    CYS   4           H        CYS   4  -3.179  -2.798  -1.778
   23    HA   CYS   4           HA       CYS   4  -4.136  -2.078   0.927
   24    HB2  CYS   4           HB2      CYS   4  -4.480   0.313  -0.146
   25    HB3  CYS   4           HB3      CYS   4  -3.085  -0.176   0.761
   26    H    GLN   5           H        GLN   5  -5.221  -1.352  -2.454
   27    HA   GLN   5           HA       GLN   5  -7.953  -1.229  -1.704
   28    HB2  GLN   5           HB2      GLN   5  -7.571  -0.168  -3.623
   29    HB3  GLN   5           HB3      GLN   5  -6.370  -1.306  -4.217
   30    HG2  GLN   5           HG2      GLN   5  -9.319  -1.982  -4.206
   31    HG3  GLN   5           HG3      GLN   5  -8.605  -1.020  -5.489
   32   HE21  GLN   5          HE21      GLN   5  -6.239  -2.203  -6.281
   33   HE22  GLN   5          HE22      GLN   5  -6.551  -3.910  -6.587
   34    H    LYS   6           H        LYS   6  -6.092  -4.060  -2.739
   35    HA   LYS   6           HA       LYS   6  -8.345  -5.853  -2.719
   36    HB2  LYS   6           HB2      LYS   6  -6.341  -6.284  -3.996
   37    HB3  LYS   6           HB3      LYS   6  -5.345  -6.343  -2.533
   38    HG2  LYS   6           HG2      LYS   6  -6.352  -8.384  -1.804
   39    HG3  LYS   6           HG3      LYS   6  -7.676  -8.243  -2.967
   40    HD2  LYS   6           HD2      LYS   6  -6.170  -8.663  -4.835
   41    HD3  LYS   6           HD3      LYS   6  -4.763  -8.668  -3.764
   42    HE2  LYS   6           HE2      LYS   6  -5.608 -10.607  -2.547
   43    HE3  LYS   6           HE3      LYS   6  -7.142 -10.542  -3.418
   44    HZ1  LYS   6           HZ1      LYS   6  -5.537 -12.229  -4.186
   45    HZ2  LYS   6           HZ2      LYS   6  -4.572 -11.067  -4.809
   46    HZ3  LYS   6           HZ3      LYS   6  -6.120 -11.282  -5.385
   47    H    TRP   7           H        TRP   7  -6.687  -4.409  -0.010
   48    HA   TRP   7           HA       TRP   7  -7.376  -6.697   1.763
   49    HB2  TRP   7           HB2      TRP   7  -5.065  -6.647   0.377
   50    HB3  TRP   7           HB3      TRP   7  -4.543  -5.612   1.668
   51    HD1  TRP   7           HD1      TRP   7  -6.660  -8.180   3.268
   52    HE1  TRP   7           HE1      TRP   7  -5.299 -10.167   4.109
   53    HE3  TRP   7           HE3      TRP   7  -2.226  -7.242   0.863
   54    HZ2  TRP   7           HZ2      TRP   7  -2.708 -11.314   3.676
   55    HZ3  TRP   7           HZ3      TRP   7  -0.344  -8.861   1.033
   56    HH2  TRP   7           HH2      TRP   7  -0.565 -10.895   2.431
   57    H    MET   8           H        MET   8  -8.867  -4.719   2.289
   58    HA   MET   8           HA       MET   8  -9.581  -3.293   3.897
   59    HB2  MET   8           HB2      MET   8  -7.977  -5.294   5.478
   60    HB3  MET   8           HB3      MET   8  -9.181  -4.190   6.167
   61    HG2  MET   8           HG2      MET   8 -10.829  -5.039   4.449
   62    HG3  MET   8           HG3      MET   8  -9.683  -6.327   4.080
   63    HE1  MET   8           HE1      MET   8 -12.922  -6.049   5.411
   64    HE2  MET   8           HE2      MET   8 -12.220  -7.385   4.480
   65    HE3  MET   8           HE3      MET   8 -12.885  -7.689   6.100
   66    H    GLN   9           H        GLN   9  -7.424  -1.938   2.732
   67    HA   GLN   9           HA       GLN   9  -5.508  -0.949   4.429
   68    HB2  GLN   9           HB2      GLN   9  -4.995   0.589   2.639
   69    HB3  GLN   9           HB3      GLN   9  -5.510  -0.949   2.005
   70    HG2  GLN   9           HG2      GLN   9  -7.252  -0.034   0.866
   71    HG3  GLN   9           HG3      GLN   9  -7.841   0.797   2.296
   72   HE21  GLN   9          HE21      GLN   9  -6.308   2.765   2.961
   73   HE22  GLN   9          HE22      GLN   9  -5.897   3.817   1.612
   74    H    THR  10           H        THR  10  -8.302  -0.178   5.634
   75    HA   THR  10           HA       THR  10  -9.077   1.585   6.971
   76    HB   THR  10           HB       THR  10  -6.102   1.632   7.535
   77    HG1  THR  10           HG1      THR  10  -6.365  -0.289   8.459
   78   HG21  THR  10          HG21      THR  10  -8.389   1.523   9.523
   79   HG22  THR  10          HG22      THR  10  -7.789   3.065   8.932
   80   HG23  THR  10          HG23      THR  10  -6.698   1.977   9.805
   81    H    CYS  11           H        CYS  11  -9.552   2.968   4.948
   82    HA   CYS  11           HA       CYS  11  -7.571   5.018   4.353
   83    HB2  CYS  11           HB2      CYS  11  -8.881   3.677   2.669
   84    HB3  CYS  11           HB3      CYS  11 -10.273   4.692   3.052
   85    H    ASP  12           H        ASP  12  -7.876   5.772   6.704
   86    HA   ASP  12           HA       ASP  12  -9.973   7.701   7.229
   87    HB2  ASP  12           HB2      ASP  12  -7.206   7.291   8.400
   88    HB3  ASP  12           HB3      ASP  12  -8.343   8.534   8.935
   89    H    SER  13           H        SER  13  -9.464  10.094   7.549
   90    HA   SER  13           HA       SER  13  -8.947  11.313   5.089
   91    HB2  SER  13           HB2      SER  13  -8.539  13.429   6.596
   92    HB3  SER  13           HB3      SER  13 -10.119  12.659   6.497
   93    HG   SER  13           HG       SER  13  -8.165  12.369   8.581
   94    H    GLU  14           H        GLU  14  -6.473  10.469   7.440
   95    HA   GLU  14           HA       GLU  14  -4.462  12.006   5.895
   96    HB2  GLU  14           HB2      GLU  14  -2.943  11.647   7.740
   97    HB3  GLU  14           HB3      GLU  14  -4.464  12.326   8.287
   98    HG2  GLU  14           HG2      GLU  14  -5.101   9.776   8.745
   99    HG3  GLU  14           HG3      GLU  14  -3.355   9.542   8.700
  100    H    ARG  15           H        ARG  15  -5.740   9.054   5.377
  101    HA   ARG  15           HA       ARG  15  -3.154   7.701   4.734
  102    HB2  ARG  15           HB2      ARG  15  -5.682   6.753   5.700
  103    HB3  ARG  15           HB3      ARG  15  -5.460   6.077   4.100
  104    HG2  ARG  15           HG2      ARG  15  -3.211   5.985   6.170
  105    HG3  ARG  15           HG3      ARG  15  -4.543   4.827   6.212
  106    HD2  ARG  15           HD2      ARG  15  -4.067   4.053   3.935
  107    HD3  ARG  15           HD3      ARG  15  -2.802   5.314   3.742
  108    HE   ARG  15           HE       ARG  15  -1.319   4.021   4.955
  109   HH11  ARG  15          HH11      ARG  15  -4.545   2.589   5.480
  110   HH12  ARG  15          HH12      ARG  15  -3.906   1.683   6.845
  111   HH21  ARG  15          HH21      ARG  15  -0.680   2.493   6.578
  112   HH22  ARG  15          HH22      ARG  15  -1.968   1.581   7.342
  113    H    LYS  16           H        LYS  16  -2.747   6.899   2.662
  114    HA   LYS  16           HA       LYS  16  -3.901   8.197   0.318
  115    HB2  LYS  16           HB2      LYS  16  -2.391   5.555   0.377
  116    HB3  LYS  16           HB3      LYS  16  -2.636   6.642  -0.986
  117    HG2  LYS  16           HG2      LYS  16  -1.280   8.373   0.450
  118    HG3  LYS  16           HG3      LYS  16  -0.798   6.950   1.379
  119    HD2  LYS  16           HD2      LYS  16  -0.117   5.895  -0.891
  120    HD3  LYS  16           HD3      LYS  16  -0.373   7.499  -1.592
  121    HE2  LYS  16           HE2      LYS  16   1.958   7.306  -1.153
  122    HE3  LYS  16           HE3      LYS  16   1.309   8.425   0.045
  123    HZ1  LYS  16           HZ1      LYS  16   2.843   6.673   0.943
  124    HZ2  LYS  16           HZ2      LYS  16   1.763   5.532   0.549
  125    HZ3  LYS  16           HZ3      LYS  16   1.372   6.658   1.688
  126    H    CYS  17           H        CYS  17  -4.992   7.021  -1.355
  127    HA   CYS  17           HA       CYS  17  -6.478   4.564  -0.533
  128    HB2  CYS  17           HB2      CYS  17  -7.990   6.507  -0.775
  129    HB3  CYS  17           HB3      CYS  17  -7.419   6.744  -2.419
  130    H    CYS  18           H        CYS  18  -5.759   2.858  -1.615
  131    HA   CYS  18           HA       CYS  18  -3.523   2.741  -3.040
  132    HB2  CYS  18           HB2      CYS  18  -5.343   0.951  -2.153
  133    HB3  CYS  18           HB3      CYS  18  -5.618   0.796  -3.879
  134    H    GLU  19           H        GLU  19  -6.692   2.882  -4.655
  135    HA   GLU  19           HA       GLU  19  -5.403   3.451  -7.303
  136    HB2  GLU  19           HB2      GLU  19  -8.198   2.381  -7.011
  137    HB3  GLU  19           HB3      GLU  19  -7.111   2.269  -8.394
  138    HG2  GLU  19           HG2      GLU  19  -7.023   0.683  -5.803
  139    HG3  GLU  19           HG3      GLU  19  -7.596   0.113  -7.360
  140    H    GLY  20           H        GLY  20  -6.496   5.190  -4.934
  141    HA2  GLY  20           HA2      GLY  20  -7.523   7.203  -4.671
  142    HA3  GLY  20           HA3      GLY  20  -7.850   7.241  -6.405
  143    H    MET  21           H        MET  21  -9.427   4.481  -5.549
  144    HA   MET  21           HA       MET  21 -11.957   6.011  -5.219
  145    HB2  MET  21           HB2      MET  21 -13.024   4.378  -6.618
  146    HB3  MET  21           HB3      MET  21 -11.626   5.113  -7.394
  147    HG2  MET  21           HG2      MET  21 -10.315   3.006  -6.580
  148    HG3  MET  21           HG3      MET  21 -11.902   2.314  -6.271
  149    HE1  MET  21           HE1      MET  21  -9.174   3.242  -8.821
  150    HE2  MET  21           HE2      MET  21  -9.987   3.305 -10.369
  151    HE3  MET  21           HE3      MET  21 -10.286   4.581  -9.173
  152    H    VAL  22           H        VAL  22 -13.470   5.632  -3.870
  153    HA   VAL  22           HA       VAL  22 -14.718   4.877  -2.247
  154    HB   VAL  22           HB       VAL  22 -14.018   2.000  -2.543
  155   HG11  VAL  22          HG11      VAL  22 -16.617   3.528  -2.061
  156   HG12  VAL  22          HG12      VAL  22 -16.466   1.759  -2.162
  157   HG13  VAL  22          HG13      VAL  22 -15.699   2.630  -0.837
  158   HG21  VAL  22          HG21      VAL  22 -15.698   3.617  -4.487
  159   HG22  VAL  22          HG22      VAL  22 -14.228   2.678  -4.857
  160   HG23  VAL  22          HG23      VAL  22 -15.709   1.851  -4.373
  161    H    CYS  23           H        CYS  23 -12.470   5.968  -1.405
  162    HA   CYS  23           HA       CYS  23 -11.155   4.669   0.758
  163    HB2  CYS  23           HB2      CYS  23 -10.404   6.663  -0.492
  164    HB3  CYS  23           HB3      CYS  23 -11.742   7.588   0.172
  165    H    ARG  24           H        ARG  24 -12.892   3.547   1.836
  166    HA   ARG  24           HA       ARG  24 -13.978   4.993   4.176
  167    HB2  ARG  24           HB2      ARG  24 -15.855   3.434   2.335
  168    HB3  ARG  24           HB3      ARG  24 -16.210   4.061   3.931
  169    HG2  ARG  24           HG2      ARG  24 -17.285   5.597   2.701
  170    HG3  ARG  24           HG3      ARG  24 -15.727   6.421   2.882
  171    HD2  ARG  24           HD2      ARG  24 -15.060   5.520   0.607
  172    HD3  ARG  24           HD3      ARG  24 -16.564   4.595   0.549
  173    HE   ARG  24           HE       ARG  24 -17.783   6.511   0.150
  174   HH11  ARG  24          HH11      ARG  24 -14.610   7.569   1.313
  175   HH12  ARG  24          HH12      ARG  24 -14.873   9.196   0.736
  176   HH21  ARG  24          HH21      ARG  24 -17.952   8.553  -0.676
  177   HH22  ARG  24          HH22      ARG  24 -16.869   9.788  -0.091
  178    H    LEU  25           H        LEU  25 -12.941   3.733   5.625
  179    HA   LEU  25           HA       LEU  25 -12.134   2.060   6.853
  180    HB2  LEU  25           HB2      LEU  25 -14.326   0.286   5.756
  181    HB3  LEU  25           HB3      LEU  25 -13.391   0.035   7.224
  182    HG   LEU  25           HG       LEU  25 -15.388   2.298   6.737
  183   HD11  LEU  25          HD11      LEU  25 -16.439   0.106   7.039
  184   HD12  LEU  25          HD12      LEU  25 -16.705   1.115   8.473
  185   HD13  LEU  25          HD13      LEU  25 -15.490  -0.164   8.518
  186   HD21  LEU  25          HD21      LEU  25 -15.093   2.760   9.173
  187   HD22  LEU  25          HD22      LEU  25 -13.632   3.103   8.246
  188   HD23  LEU  25          HD23      LEU  25 -13.742   1.609   9.208
  189    H    TRP  26           H        TRP  26 -12.448   1.377   3.511
  190    HA   TRP  26           HA       TRP  26  -9.749   0.227   3.387
  191    HB2  TRP  26           HB2      TRP  26 -11.453  -1.183   1.505
  192    HB3  TRP  26           HB3      TRP  26 -10.377  -1.814   2.700
  193    HD1  TRP  26           HD1      TRP  26 -11.611  -2.583   5.053
  194    HE1  TRP  26           HE1      TRP  26 -14.057  -3.071   5.639
  195    HE3  TRP  26           HE3      TRP  26 -13.867  -0.275   1.083
  196    HZ2  TRP  26           HZ2      TRP  26 -16.663  -2.408   4.611
  197    HZ3  TRP  26           HZ3      TRP  26 -16.338  -0.145   0.960
  198    HH2  TRP  26           HH2      TRP  26 -17.747  -1.207   2.707
  199    H    CYS  27           H        CYS  27  -9.804  -0.225   0.640
  200    HA   CYS  27           HA       CYS  27 -11.312   1.882  -0.691
  201    HB2  CYS  27           HB2      CYS  27  -8.390   1.387  -1.300
  202    HB3  CYS  27           HB3      CYS  27  -9.534   2.076  -2.464
  203    H    LYS  28           H        LYS  28 -11.782   1.209  -2.992
  204    HA   LYS  28           HA       LYS  28 -12.006  -1.750  -3.129
  205    HB2  LYS  28           HB2      LYS  28 -13.865  -0.536  -1.688
  206    HB3  LYS  28           HB3      LYS  28 -14.558  -0.132  -3.233
  207    HG2  LYS  28           HG2      LYS  28 -15.656  -2.068  -2.575
  208    HG3  LYS  28           HG3      LYS  28 -14.507  -2.669  -3.768
  209    HD2  LYS  28           HD2      LYS  28 -13.878  -2.662  -0.774
  210    HD3  LYS  28           HD3      LYS  28 -14.851  -3.930  -1.495
  211    HE2  LYS  28           HE2      LYS  28 -13.098  -5.031  -2.264
  212    HE3  LYS  28           HE3      LYS  28 -12.496  -3.628  -3.129
  213    HZ1  LYS  28           HZ1      LYS  28 -11.958  -4.328  -0.302
  214    HZ2  LYS  28           HZ2      LYS  28 -11.449  -2.903  -1.007
  215    HZ3  LYS  28           HZ3      LYS  28 -10.869  -4.311  -1.536
  216    H    LYS  29           H        LYS  29 -14.322  -0.097  -5.064
  217    HA   LYS  29           HA       LYS  29 -12.582   0.317  -7.337
  218    HB2  LYS  29           HB2      LYS  29 -13.351  -2.339  -6.999
  219    HB3  LYS  29           HB3      LYS  29 -14.617  -1.737  -8.062
  220    HG2  LYS  29           HG2      LYS  29 -12.863  -0.897  -9.639
  221    HG3  LYS  29           HG3      LYS  29 -11.609  -1.451  -8.524
  222    HD2  LYS  29           HD2      LYS  29 -12.556  -3.795  -8.729
  223    HD3  LYS  29           HD3      LYS  29 -13.636  -3.186  -9.988
  224    HE2  LYS  29           HE2      LYS  29 -11.615  -2.428 -11.286
  225    HE3  LYS  29           HE3      LYS  29 -10.578  -3.120 -10.036
  226    HZ1  LYS  29           HZ1      LYS  29 -12.530  -4.611 -11.696
  227    HZ2  LYS  29           HZ2      LYS  29 -11.599  -5.311 -10.525
  228    HZ3  LYS  29           HZ3      LYS  29 -10.898  -4.695 -11.856
  229    H    LYS  30           H        LYS  30 -13.587   1.641  -8.817
  230    HA   LYS  30           HA       LYS  30 -16.462   1.926  -8.987
  231    HB2  LYS  30           HB2      LYS  30 -15.287   3.450  -6.945
  232    HB3  LYS  30           HB3      LYS  30 -15.425   4.605  -8.251
  233    HG2  LYS  30           HG2      LYS  30 -17.710   2.892  -7.142
  234    HG3  LYS  30           HG3      LYS  30 -17.339   4.542  -6.668
  235    HD2  LYS  30           HD2      LYS  30 -18.995   4.977  -8.145
  236    HD3  LYS  30           HD3      LYS  30 -17.612   5.092  -9.226
  237    HE2  LYS  30           HE2      LYS  30 -18.099   2.637  -9.873
  238    HE3  LYS  30           HE3      LYS  30 -19.577   2.783  -8.916
  239    HZ1  LYS  30           HZ1      LYS  30 -20.074   3.283 -11.213
  240    HZ2  LYS  30           HZ2      LYS  30 -18.871   4.401 -11.311
  241    HZ3  LYS  30           HZ3      LYS  30 -20.169   4.695 -10.372
  242    H    LEU  31           H        LEU  31 -13.258   3.002 -10.010
  243    HA   LEU  31           HA       LEU  31 -14.363   4.061 -12.531
  244    HB2  LEU  31           HB2      LEU  31 -12.313   4.990 -11.366
  245    HB3  LEU  31           HB3      LEU  31 -11.468   3.522 -11.847
  246    HG   LEU  31           HG       LEU  31 -12.914   4.995 -14.028
  247   HD11  LEU  31          HD11      LEU  31 -10.356   6.059 -12.763
  248   HD12  LEU  31          HD12      LEU  31 -11.955   6.840 -12.731
  249   HD13  LEU  31          HD13      LEU  31 -11.111   6.637 -14.264
  250   HD21  LEU  31          HD21      LEU  31 -10.116   3.796 -13.821
  251   HD22  LEU  31          HD22      LEU  31 -10.868   4.437 -15.294
  252   HD23  LEU  31          HD23      LEU  31 -11.524   2.989 -14.519
  253    H    LEU  32           H        LEU  32 -14.192   2.944 -14.484
  254    HA   LEU  32           HA       LEU  32 -14.292  -0.022 -14.104
  255    HB2  LEU  32           HB2      LEU  32 -16.598   0.457 -15.378
  256    HB3  LEU  32           HB3      LEU  32 -16.422   0.495 -13.632
  257    HG   LEU  32           HG       LEU  32 -16.242   3.005 -13.675
  258   HD11  LEU  32          HD11      LEU  32 -16.948   2.674 -16.629
  259   HD12  LEU  32          HD12      LEU  32 -15.458   3.402 -16.007
  260   HD13  LEU  32          HD13      LEU  32 -17.009   4.200 -15.730
  261   HD21  LEU  32          HD21      LEU  32 -18.335   1.853 -13.229
  262   HD22  LEU  32          HD22      LEU  32 -18.703   1.816 -14.965
  263   HD23  LEU  32          HD23      LEU  32 -18.605   3.368 -14.109
  Start of MODEL   16
    1    H1   GLY   1           H1       GLY   1  -0.116 -10.673   2.451
    2    H2   GLY   1           H2       GLY   1  -0.189  -9.352   3.438
    3    H3   GLY   1           H3       GLY   1  -0.786  -9.281   1.891
    4    HA2  GLY   1           HA2      GLY   1   2.023  -9.515   2.704
    5    HA3  GLY   1           HA3      GLY   1   1.440  -9.700   1.040
    6    HA   PRO   2           HA       PRO   2   2.388  -5.300   1.393
    7    HB2  PRO   2           HB2      PRO   2   3.222  -4.844  -1.138
    8    HB3  PRO   2           HB3      PRO   2   4.167  -5.874  -0.016
    9    HG2  PRO   2           HG2      PRO   2   2.154  -6.793  -2.086
   10    HG3  PRO   2           HG3      PRO   2   3.843  -7.350  -1.887
   11    HD2  PRO   2           HD2      PRO   2   1.751  -8.689  -0.783
   12    HD3  PRO   2           HD3      PRO   2   3.313  -8.557   0.047
   13    H    TYR   3           H        TYR   3  -0.232  -6.747  -0.293
   14    HA   TYR   3           HA       TYR   3  -1.304  -4.652  -1.726
   15    HB2  TYR   3           HB2      TYR   3  -2.600  -6.828  -0.161
   16    HB3  TYR   3           HB3      TYR   3  -3.593  -5.585  -0.888
   17    HD1  TYR   3           HD1      TYR   3  -1.822  -5.494  -3.609
   18    HD2  TYR   3           HD2      TYR   3  -3.902  -8.467  -1.272
   19    HE1  TYR   3           HE1      TYR   3  -2.292  -6.791  -5.667
   20    HE2  TYR   3           HE2      TYR   3  -4.407  -9.721  -3.326
   21    HH   TYR   3           HH       TYR   3  -4.148  -9.870  -5.573
   22    H    CYS   4           H        CYS   4  -2.615  -2.937  -1.483
   23    HA   CYS   4           HA       CYS   4  -3.303  -2.148   1.322
   24    HB2  CYS   4           HB2      CYS   4  -3.318   0.227   0.298
   25    HB3  CYS   4           HB3      CYS   4  -1.876  -0.543   0.901
   26    H    GLN   5           H        GLN   5  -4.542  -1.431  -1.992
   27    HA   GLN   5           HA       GLN   5  -7.224  -1.056  -1.005
   28    HB2  GLN   5           HB2      GLN   5  -6.850   0.045  -2.928
   29    HB3  GLN   5           HB3      GLN   5  -5.894  -1.218  -3.666
   30    HG2  GLN   5           HG2      GLN   5  -8.876  -1.579  -3.255
   31    HG3  GLN   5           HG3      GLN   5  -8.261  -0.619  -4.579
   32   HE21  GLN   5          HE21      GLN   5  -6.112  -2.060  -5.593
   33   HE22  GLN   5          HE22      GLN   5  -6.655  -3.637  -6.088
   34    H    LYS   6           H        LYS   6  -5.828  -3.897  -2.750
   35    HA   LYS   6           HA       LYS   6  -8.159  -5.491  -2.113
   36    HB2  LYS   6           HB2      LYS   6  -6.876  -5.599  -4.245
   37    HB3  LYS   6           HB3      LYS   6  -5.552  -6.373  -3.396
   38    HG2  LYS   6           HG2      LYS   6  -6.667  -8.369  -3.187
   39    HG3  LYS   6           HG3      LYS   6  -8.255  -7.633  -3.030
   40    HD2  LYS   6           HD2      LYS   6  -6.859  -7.571  -5.729
   41    HD3  LYS   6           HD3      LYS   6  -7.613  -9.041  -5.134
   42    HE2  LYS   6           HE2      LYS   6  -9.362  -8.169  -6.312
   43    HE3  LYS   6           HE3      LYS   6  -9.732  -7.628  -4.679
   44    HZ1  LYS   6           HZ1      LYS   6  -8.730  -5.428  -5.352
   45    HZ2  LYS   6           HZ2      LYS   6 -10.039  -5.855  -6.248
   46    HZ3  LYS   6           HZ3      LYS   6  -8.566  -6.053  -6.890
   47    H    TRP   7           H        TRP   7  -6.381  -4.461   0.129
   48    HA   TRP   7           HA       TRP   7  -6.732  -6.898   1.763
   49    HB2  TRP   7           HB2      TRP   7  -4.415  -6.882   1.049
   50    HB3  TRP   7           HB3      TRP   7  -4.185  -5.274   1.735
   51    HD1  TRP   7           HD1      TRP   7  -3.597  -5.185   4.294
   52    HE1  TRP   7           HE1      TRP   7  -3.226  -6.905   6.140
   53    HE3  TRP   7           HE3      TRP   7  -5.301  -9.323   1.831
   54    HZ2  TRP   7           HZ2      TRP   7  -3.899  -9.710   6.598
   55    HZ3  TRP   7           HZ3      TRP   7  -5.500 -11.500   3.019
   56    HH2  TRP   7           HH2      TRP   7  -4.839 -11.688   5.407
   57    H    MET   8           H        MET   8  -7.955  -4.106   1.246
   58    HA   MET   8           HA       MET   8  -9.134  -2.598   2.373
   59    HB2  MET   8           HB2      MET   8  -9.363  -4.897   4.333
   60    HB3  MET   8           HB3      MET   8 -10.368  -3.441   4.374
   61    HG2  MET   8           HG2      MET   8 -10.984  -3.868   1.964
   62    HG3  MET   8           HG3      MET   8 -10.176  -5.431   2.083
   63    HE1  MET   8           HE1      MET   8 -10.929  -7.379   3.576
   64    HE2  MET   8           HE2      MET   8 -11.040  -6.442   5.078
   65    HE3  MET   8           HE3      MET   8 -12.418  -7.428   4.542
   66    H    GLN   9           H        GLN   9  -6.908  -1.658   2.466
   67    HA   GLN   9           HA       GLN   9  -5.490  -0.960   4.706
   68    HB2  GLN   9           HB2      GLN   9  -4.729   0.935   3.303
   69    HB3  GLN   9           HB3      GLN   9  -4.774  -0.570   2.424
   70    HG2  GLN   9           HG2      GLN   9  -6.873   0.016   1.302
   71    HG3  GLN   9           HG3      GLN   9  -7.120   1.404   2.345
   72   HE21  GLN   9          HE21      GLN   9  -4.136   2.193   2.008
   73   HE22  GLN   9          HE22      GLN   9  -4.200   3.018   0.463
   74    H    THR  10           H        THR  10  -8.029  -0.649   5.885
   75    HA   THR  10           HA       THR  10  -9.036   0.791   7.424
   76    HB   THR  10           HB       THR  10  -6.096   1.449   7.745
   77    HG1  THR  10           HG1      THR  10  -6.122  -0.449   9.025
   78   HG21  THR  10          HG21      THR  10  -7.911   0.803  10.044
   79   HG22  THR  10          HG22      THR  10  -8.034   2.428   9.348
   80   HG23  THR  10          HG23      THR  10  -6.485   1.859   9.953
   81    H    CYS  11           H        CYS  11  -9.786   2.182   5.384
   82    HA   CYS  11           HA       CYS  11  -8.004   4.255   4.696
   83    HB2  CYS  11           HB2      CYS  11  -9.586   3.100   3.166
   84    HB3  CYS  11           HB3      CYS  11 -10.869   4.174   3.745
   85    H    ASP  12           H        ASP  12  -7.801   6.327   5.023
   86    HA   ASP  12           HA       ASP  12  -9.618   7.839   6.801
   87    HB2  ASP  12           HB2      ASP  12  -6.595   7.572   7.075
   88    HB3  ASP  12           HB3      ASP  12  -7.543   8.836   7.838
   89    H    SER  13           H        SER  13  -9.345  10.187   6.635
   90    HA   SER  13           HA       SER  13  -9.158  11.206   3.996
   91    HB2  SER  13           HB2      SER  13 -10.412  12.282   5.745
   92    HB3  SER  13           HB3      SER  13  -8.960  12.548   6.710
   93    HG   SER  13           HG       SER  13  -9.368  13.663   4.121
   94    H    GLU  14           H        GLU  14  -6.546  10.511   6.159
   95    HA   GLU  14           HA       GLU  14  -4.538  12.068   4.610
   96    HB2  GLU  14           HB2      GLU  14  -3.048  11.496   6.408
   97    HB3  GLU  14           HB3      GLU  14  -4.554  12.103   7.086
   98    HG2  GLU  14           HG2      GLU  14  -5.261   9.717   7.512
   99    HG3  GLU  14           HG3      GLU  14  -3.699   9.166   6.904
  100    H    ARG  15           H        ARG  15  -5.965   9.004   4.309
  101    HA   ARG  15           HA       ARG  15  -3.472   7.467   4.208
  102    HB2  ARG  15           HB2      ARG  15  -5.987   6.918   5.052
  103    HB3  ARG  15           HB3      ARG  15  -6.102   6.203   3.456
  104    HG2  ARG  15           HG2      ARG  15  -3.772   5.623   5.355
  105    HG3  ARG  15           HG3      ARG  15  -5.324   4.806   5.558
  106    HD2  ARG  15           HD2      ARG  15  -5.201   3.640   3.560
  107    HD3  ARG  15           HD3      ARG  15  -4.098   4.832   2.797
  108    HE   ARG  15           HE       ARG  15  -2.262   3.799   3.739
  109   HH11  ARG  15          HH11      ARG  15  -5.024   2.555   5.607
  110   HH12  ARG  15          HH12      ARG  15  -3.902   1.906   6.798
  111   HH21  ARG  15          HH21      ARG  15  -1.086   2.686   5.061
  112   HH22  ARG  15          HH22      ARG  15  -1.802   1.761   6.373
  113    H    LYS  16           H        LYS  16  -2.341   6.979   2.414
  114    HA   LYS  16           HA       LYS  16  -3.073   7.773  -0.232
  115    HB2  LYS  16           HB2      LYS  16  -1.038   5.703   0.681
  116    HB3  LYS  16           HB3      LYS  16  -1.214   6.279  -0.973
  117    HG2  LYS  16           HG2      LYS  16  -0.778   8.626  -0.180
  118    HG3  LYS  16           HG3      LYS  16  -0.481   7.983   1.438
  119    HD2  LYS  16           HD2      LYS  16   1.318   6.505   0.447
  120    HD3  LYS  16           HD3      LYS  16   1.135   7.376  -1.083
  121    HE2  LYS  16           HE2      LYS  16   1.743   8.714   1.588
  122    HE3  LYS  16           HE3      LYS  16   3.011   8.145   0.501
  123    HZ1  LYS  16           HZ1      LYS  16   2.455   9.724  -1.085
  124    HZ2  LYS  16           HZ2      LYS  16   2.353  10.554   0.337
  125    HZ3  LYS  16           HZ3      LYS  16   0.986  10.064  -0.472
  126    H    CYS  17           H        CYS  17  -5.235   7.095  -0.436
  127    HA   CYS  17           HA       CYS  17  -6.163   4.446  -0.445
  128    HB2  CYS  17           HB2      CYS  17  -7.603   6.402  -0.405
  129    HB3  CYS  17           HB3      CYS  17  -7.059   6.859  -2.011
  130    H    CYS  18           H        CYS  18  -5.997   2.801  -1.786
  131    HA   CYS  18           HA       CYS  18  -3.787   3.032  -3.680
  132    HB2  CYS  18           HB2      CYS  18  -3.528   1.933  -1.629
  133    HB3  CYS  18           HB3      CYS  18  -4.926   0.910  -1.892
  134    H    GLU  19           H        GLU  19  -7.018   2.770  -4.184
  135    HA   GLU  19           HA       GLU  19  -6.202   2.568  -7.019
  136    HB2  GLU  19           HB2      GLU  19  -8.754   1.410  -5.885
  137    HB3  GLU  19           HB3      GLU  19  -8.663   1.982  -7.560
  138    HG2  GLU  19           HG2      GLU  19  -6.720   0.547  -8.000
  139    HG3  GLU  19           HG3      GLU  19  -6.774  -0.077  -6.356
  140    H    GLY  20           H        GLY  20  -7.278   4.492  -4.527
  141    HA2  GLY  20           HA2      GLY  20  -7.336   6.776  -4.565
  142    HA3  GLY  20           HA3      GLY  20  -7.397   6.766  -6.323
  143    H    MET  21           H        MET  21  -9.892   5.063  -4.402
  144    HA   MET  21           HA       MET  21 -11.761   7.304  -4.622
  145    HB2  MET  21           HB2      MET  21 -13.355   6.010  -5.999
  146    HB3  MET  21           HB3      MET  21 -11.879   6.465  -6.849
  147    HG2  MET  21           HG2      MET  21 -11.054   4.069  -6.375
  148    HG3  MET  21           HG3      MET  21 -12.686   3.738  -5.795
  149    HE1  MET  21           HE1      MET  21 -10.310   4.229  -8.768
  150    HE2  MET  21           HE2      MET  21 -11.371   4.581 -10.148
  151    HE3  MET  21           HE3      MET  21 -11.130   5.805  -8.886
  152    H    VAL  22           H        VAL  22 -13.661   7.108  -3.541
  153    HA   VAL  22           HA       VAL  22 -14.984   6.620  -1.835
  154    HB   VAL  22           HB       VAL  22 -15.169   3.789  -2.810
  155   HG11  VAL  22          HG11      VAL  22 -17.198   5.839  -1.784
  156   HG12  VAL  22          HG12      VAL  22 -17.578   4.200  -2.338
  157   HG13  VAL  22          HG13      VAL  22 -16.596   4.422  -0.887
  158   HG21  VAL  22          HG21      VAL  22 -16.812   4.702  -4.488
  159   HG22  VAL  22          HG22      VAL  22 -16.191   6.323  -4.152
  160   HG23  VAL  22          HG23      VAL  22 -15.124   5.076  -4.847
  161    H    CYS  23           H        CYS  23 -13.092   7.043  -0.502
  162    HA   CYS  23           HA       CYS  23 -11.875   4.917   1.034
  163    HB2  CYS  23           HB2      CYS  23 -10.818   7.056   0.442
  164    HB3  CYS  23           HB3      CYS  23 -12.031   7.925   1.383
  165    H    ARG  24           H        ARG  24 -13.538   3.709   2.056
  166    HA   ARG  24           HA       ARG  24 -14.583   4.900   4.581
  167    HB2  ARG  24           HB2      ARG  24 -16.387   3.579   2.516
  168    HB3  ARG  24           HB3      ARG  24 -16.757   3.651   4.229
  169    HG2  ARG  24           HG2      ARG  24 -17.896   5.498   3.640
  170    HG3  ARG  24           HG3      ARG  24 -16.329   6.274   3.945
  171    HD2  ARG  24           HD2      ARG  24 -15.826   6.058   1.459
  172    HD3  ARG  24           HD3      ARG  24 -17.400   5.285   1.252
  173    HE   ARG  24           HE       ARG  24 -18.505   7.298   1.901
  174   HH11  ARG  24          HH11      ARG  24 -15.035   7.880   2.186
  175   HH12  ARG  24          HH12      ARG  24 -15.248   9.597   1.992
  176   HH21  ARG  24          HH21      ARG  24 -18.666   9.441   1.551
  177   HH22  ARG  24          HH22      ARG  24 -17.264  10.451   1.615
  178    H    LEU  25           H        LEU  25 -13.371   3.717   5.894
  179    HA   LEU  25           HA       LEU  25 -12.283   2.028   6.930
  180    HB2  LEU  25           HB2      LEU  25 -14.345   0.139   5.774
  181    HB3  LEU  25           HB3      LEU  25 -13.293  -0.174   7.141
  182    HG   LEU  25           HG       LEU  25 -15.415   2.033   7.138
  183   HD11  LEU  25          HD11      LEU  25 -16.460  -0.183   6.820
  184   HD12  LEU  25          HD12      LEU  25 -16.801   0.484   8.431
  185   HD13  LEU  25          HD13      LEU  25 -15.570  -0.778   8.239
  186   HD21  LEU  25          HD21      LEU  25 -13.611   2.262   8.857
  187   HD22  LEU  25          HD22      LEU  25 -13.952   0.611   9.408
  188   HD23  LEU  25          HD23      LEU  25 -15.189   1.865   9.575
  189    H    TRP  26           H        TRP  26 -12.875   1.473   3.528
  190    HA   TRP  26           HA       TRP  26 -10.079   0.733   3.079
  191    HB2  TRP  26           HB2      TRP  26 -10.989  -1.222   1.601
  192    HB3  TRP  26           HB3      TRP  26 -10.779  -1.388   3.323
  193    HD1  TRP  26           HD1      TRP  26 -12.764  -2.008   4.796
  194    HE1  TRP  26           HE1      TRP  26 -15.248  -2.513   4.443
  195    HE3  TRP  26           HE3      TRP  26 -13.252  -0.322  -0.011
  196    HZ2  TRP  26           HZ2      TRP  26 -17.211  -2.167   2.378
  197    HZ3  TRP  26           HZ3      TRP  26 -15.466  -0.362  -1.126
  198    HH2  TRP  26           HH2      TRP  26 -17.454  -1.272   0.054
  199    H    CYS  27           H        CYS  27 -10.169   0.145   0.457
  200    HA   CYS  27           HA       CYS  27 -11.785   2.094  -1.037
  201    HB2  CYS  27           HB2      CYS  27  -8.755   1.837  -1.290
  202    HB3  CYS  27           HB3      CYS  27  -9.816   2.545  -2.512
  203    H    LYS  28           H        LYS  28 -12.121   1.320  -3.226
  204    HA   LYS  28           HA       LYS  28 -11.069  -1.238  -4.185
  205    HB2  LYS  28           HB2      LYS  28 -13.994  -0.900  -3.358
  206    HB3  LYS  28           HB3      LYS  28 -13.476  -2.112  -4.505
  207    HG2  LYS  28           HG2      LYS  28 -12.740  -2.015  -1.571
  208    HG3  LYS  28           HG3      LYS  28 -13.808  -3.144  -2.393
  209    HD2  LYS  28           HD2      LYS  28 -11.773  -3.885  -3.771
  210    HD3  LYS  28           HD3      LYS  28 -10.784  -2.923  -2.687
  211    HE2  LYS  28           HE2      LYS  28 -10.637  -4.996  -1.696
  212    HE3  LYS  28           HE3      LYS  28 -11.918  -4.222  -0.752
  213    HZ1  LYS  28           HZ1      LYS  28 -13.545  -5.428  -2.179
  214    HZ2  LYS  28           HZ2      LYS  28 -12.555  -6.470  -1.409
  215    HZ3  LYS  28           HZ3      LYS  28 -12.318  -6.117  -3.009
  216    H    LYS  29           H        LYS  29 -12.068  -1.787  -6.368
  217    HA   LYS  29           HA       LYS  29 -12.186   0.420  -8.182
  218    HB2  LYS  29           HB2      LYS  29 -13.187  -2.437  -8.430
  219    HB3  LYS  29           HB3      LYS  29 -13.338  -1.249  -9.733
  220    HG2  LYS  29           HG2      LYS  29 -10.863  -0.873  -9.596
  221    HG3  LYS  29           HG3      LYS  29 -10.763  -2.266  -8.515
  222    HD2  LYS  29           HD2      LYS  29 -11.793  -3.712 -10.252
  223    HD3  LYS  29           HD3      LYS  29 -11.830  -2.333 -11.356
  224    HE2  LYS  29           HE2      LYS  29  -9.362  -3.643 -10.132
  225    HE3  LYS  29           HE3      LYS  29  -9.877  -3.725 -11.827
  226    HZ1  LYS  29           HZ1      LYS  29  -9.662  -1.208 -11.784
  227    HZ2  LYS  29           HZ2      LYS  29  -8.239  -2.024 -11.701
  228    HZ3  LYS  29           HZ3      LYS  29  -8.880  -1.402 -10.323
  229    H    LYS  30           H        LYS  30 -13.625   1.909  -8.372
  230    HA   LYS  30           HA       LYS  30 -16.532   1.351  -8.165
  231    HB2  LYS  30           HB2      LYS  30 -14.919   2.540  -6.046
  232    HB3  LYS  30           HB3      LYS  30 -16.067   3.733  -6.623
  233    HG2  LYS  30           HG2      LYS  30 -16.869   0.881  -5.891
  234    HG3  LYS  30           HG3      LYS  30 -16.841   2.202  -4.720
  235    HD2  LYS  30           HD2      LYS  30 -18.478   3.469  -5.915
  236    HD3  LYS  30           HD3      LYS  30 -18.422   2.413  -7.315
  237    HE2  LYS  30           HE2      LYS  30 -19.461   1.600  -4.569
  238    HE3  LYS  30           HE3      LYS  30 -20.449   2.097  -5.949
  239    HZ1  LYS  30           HZ1      LYS  30 -20.410  -0.243  -6.000
  240    HZ2  LYS  30           HZ2      LYS  30 -18.803  -0.356  -5.760
  241    HZ3  LYS  30           HZ3      LYS  30 -19.388   0.230  -7.187
  242    H    LEU  31           H        LEU  31 -14.366   2.464 -10.138
  243    HA   LEU  31           HA       LEU  31 -15.990   4.735 -11.140
  244    HB2  LEU  31           HB2      LEU  31 -13.635   5.132 -10.891
  245    HB3  LEU  31           HB3      LEU  31 -13.215   3.731 -11.872
  246    HG   LEU  31           HG       LEU  31 -14.941   5.905 -13.085
  247   HD11  LEU  31          HD11      LEU  31 -12.915   7.068 -13.791
  248   HD12  LEU  31          HD12      LEU  31 -11.923   6.004 -12.775
  249   HD13  LEU  31          HD13      LEU  31 -13.093   7.108 -12.020
  250   HD21  LEU  31          HD21      LEU  31 -14.451   3.853 -14.444
  251   HD22  LEU  31          HD22      LEU  31 -12.728   4.128 -14.188
  252   HD23  LEU  31          HD23      LEU  31 -13.696   5.289 -15.130
  253    H    LEU  32           H        LEU  32 -17.117   4.646 -13.003
  254    HA   LEU  32           HA       LEU  32 -17.467   1.929 -14.269
  255    HB2  LEU  32           HB2      LEU  32 -19.277   4.394 -13.945
  256    HB3  LEU  32           HB3      LEU  32 -19.739   2.927 -14.818
  257    HG   LEU  32           HG       LEU  32 -18.989   3.012 -11.835
  258   HD11  LEU  32          HD11      LEU  32 -21.723   2.820 -13.172
  259   HD12  LEU  32          HD12      LEU  32 -21.074   4.241 -12.325
  260   HD13  LEU  32          HD13      LEU  32 -21.396   2.754 -11.427
  261   HD21  LEU  32          HD21      LEU  32 -20.161   0.774 -13.566
  262   HD22  LEU  32          HD22      LEU  32 -20.070   0.746 -11.794
  263   HD23  LEU  32          HD23      LEU  32 -18.583   0.765 -12.740
  Start of MODEL   17
    1    H1   GLY   1           H1       GLY   1   1.860   0.237  -3.463
    2    H2   GLY   1           H2       GLY   1   2.901   0.956  -2.403
    3    H3   GLY   1           H3       GLY   1   3.331  -0.440  -3.159
    4    HA2  GLY   1           HA2      GLY   1   2.775  -0.980  -0.941
    5    HA3  GLY   1           HA3      GLY   1   1.246  -0.091  -1.118
    6    HA   PRO   2           HA       PRO   2   1.301  -4.132  -3.811
    7    HB2  PRO   2           HB2      PRO   2   2.089  -6.388  -2.425
    8    HB3  PRO   2           HB3      PRO   2   3.186  -5.347  -3.384
    9    HG2  PRO   2           HG2      PRO   2   2.667  -5.255  -0.394
   10    HG3  PRO   2           HG3      PRO   2   4.245  -5.278  -1.241
   11    HD2  PRO   2           HD2      PRO   2   3.175  -2.955  -0.394
   12    HD3  PRO   2           HD3      PRO   2   3.961  -3.042  -2.002
   13    H    TYR   3           H        TYR   3   0.106  -3.802  -0.533
   14    HA   TYR   3           HA       TYR   3  -2.412  -4.932  -1.480
   15    HB2  TYR   3           HB2      TYR   3  -2.719  -6.219   0.710
   16    HB3  TYR   3           HB3      TYR   3  -1.860  -6.886  -0.659
   17    HD1  TYR   3           HD1      TYR   3   0.489  -7.384  -0.618
   18    HD2  TYR   3           HD2      TYR   3  -1.433  -5.448   2.725
   19    HE1  TYR   3           HE1      TYR   3   2.491  -7.824   0.791
   20    HE2  TYR   3           HE2      TYR   3   0.572  -5.889   4.127
   21    HH   TYR   3           HH       TYR   3   3.546  -7.236   2.812
   22    H    CYS   4           H        CYS   4  -2.888  -2.733  -1.652
   23    HA   CYS   4           HA       CYS   4  -4.465  -2.033   0.768
   24    HB2  CYS   4           HB2      CYS   4  -4.108   0.365   0.210
   25    HB3  CYS   4           HB3      CYS   4  -2.718  -0.500   0.827
   26    H    GLN   5           H        GLN   5  -4.625  -2.622  -2.649
   27    HA   GLN   5           HA       GLN   5  -7.424  -1.618  -2.733
   28    HB2  GLN   5           HB2      GLN   5  -5.799  -1.497  -4.709
   29    HB3  GLN   5           HB3      GLN   5  -5.911  -3.254  -4.797
   30    HG2  GLN   5           HG2      GLN   5  -8.586  -2.569  -4.766
   31    HG3  GLN   5           HG3      GLN   5  -7.911  -1.150  -5.539
   32   HE21  GLN   5          HE21      GLN   5  -5.979  -2.042  -7.302
   33   HE22  GLN   5          HE22      GLN   5  -6.603  -3.326  -8.307
   34    H    LYS   6           H        LYS   6  -5.631  -4.693  -2.815
   35    HA   LYS   6           HA       LYS   6  -8.045  -6.330  -2.613
   36    HB2  LYS   6           HB2      LYS   6  -5.778  -6.680  -3.992
   37    HB3  LYS   6           HB3      LYS   6  -5.216  -7.384  -2.479
   38    HG2  LYS   6           HG2      LYS   6  -7.558  -8.728  -2.692
   39    HG3  LYS   6           HG3      LYS   6  -7.397  -8.254  -4.378
   40    HD2  LYS   6           HD2      LYS   6  -6.249 -10.197  -4.557
   41    HD3  LYS   6           HD3      LYS   6  -4.888  -9.268  -3.957
   42    HE2  LYS   6           HE2      LYS   6  -6.815 -11.023  -2.367
   43    HE3  LYS   6           HE3      LYS   6  -5.150 -11.420  -2.767
   44    HZ1  LYS   6           HZ1      LYS   6  -5.386 -10.667  -0.499
   45    HZ2  LYS   6           HZ2      LYS   6  -6.028  -9.233  -0.955
   46    HZ3  LYS   6           HZ3      LYS   6  -4.456  -9.568  -1.329
   47    H    TRP   7           H        TRP   7  -7.335  -4.601  -0.287
   48    HA   TRP   7           HA       TRP   7  -7.605  -6.473   1.891
   49    HB2  TRP   7           HB2      TRP   7  -5.022  -6.255   1.202
   50    HB3  TRP   7           HB3      TRP   7  -5.131  -4.731   2.056
   51    HD1  TRP   7           HD1      TRP   7  -6.571  -8.216   3.014
   52    HE1  TRP   7           HE1      TRP   7  -5.552  -9.008   5.209
   53    HE3  TRP   7           HE3      TRP   7  -3.387  -4.293   3.862
   54    HZ2  TRP   7           HZ2      TRP   7  -3.390  -8.199   6.945
   55    HZ3  TRP   7           HZ3      TRP   7  -1.753  -4.399   5.740
   56    HH2  TRP   7           HH2      TRP   7  -1.712  -6.357   7.256
   57    H    MET   8           H        MET   8  -8.035  -5.256   3.929
   58    HA   MET   8           HA       MET   8  -9.437  -2.790   3.286
   59    HB2  MET   8           HB2      MET   8  -9.370  -4.235   5.949
   60    HB3  MET   8           HB3      MET   8 -10.489  -2.958   5.433
   61    HG2  MET   8           HG2      MET   8 -11.030  -4.519   3.425
   62    HG3  MET   8           HG3      MET   8 -10.197  -5.761   4.359
   63    HE1  MET   8           HE1      MET   8 -12.677  -6.731   3.448
   64    HE2  MET   8           HE2      MET   8 -11.700  -7.479   4.728
   65    HE3  MET   8           HE3      MET   8 -13.455  -7.325   4.935
   66    H    GLN   9           H        GLN   9  -7.649  -1.594   2.775
   67    HA   GLN   9           HA       GLN   9  -5.472  -0.905   4.277
   68    HB2  GLN   9           HB2      GLN   9  -5.124   0.758   2.547
   69    HB3  GLN   9           HB3      GLN   9  -5.824  -0.692   1.859
   70    HG2  GLN   9           HG2      GLN   9  -7.683   0.389   1.125
   71    HG3  GLN   9           HG3      GLN   9  -7.967   1.169   2.669
   72   HE21  GLN   9          HE21      GLN   9  -6.165   2.974   3.167
   73   HE22  GLN   9          HE22      GLN   9  -5.852   4.034   1.776
   74    H    THR  10           H        THR  10  -8.191  -0.055   5.712
   75    HA   THR  10           HA       THR  10  -9.018   1.613   6.997
   76    HB   THR  10           HB       THR  10  -6.167   2.102   7.862
   77    HG1  THR  10           HG1      THR  10  -6.087   0.013   7.938
   78   HG21  THR  10          HG21      THR  10  -8.821   1.775   9.338
   79   HG22  THR  10          HG22      THR  10  -8.054   3.332   8.971
   80   HG23  THR  10          HG23      THR  10  -7.244   2.189  10.050
   81    H    CYS  11           H        CYS  11  -9.824   3.115   5.563
   82    HA   CYS  11           HA       CYS  11  -8.295   5.181   4.320
   83    HB2  CYS  11           HB2      CYS  11 -11.276   4.823   4.673
   84    HB3  CYS  11           HB3      CYS  11 -10.529   5.966   3.572
   85    H    ASP  12           H        ASP  12  -7.617   5.552   6.901
   86    HA   ASP  12           HA       ASP  12  -8.994   7.657   8.250
   87    HB2  ASP  12           HB2      ASP  12  -6.113   6.693   8.313
   88    HB3  ASP  12           HB3      ASP  12  -6.730   8.000   9.331
   89    H    SER  13           H        SER  13  -8.768   9.842   8.321
   90    HA   SER  13           HA       SER  13  -8.488  11.139   5.884
   91    HB2  SER  13           HB2      SER  13  -9.750  11.946   7.864
   92    HB3  SER  13           HB3      SER  13  -8.228  12.410   8.630
   93    HG   SER  13           HG       SER  13  -7.948  13.614   6.478
   94    H    GLU  14           H        GLU  14  -5.776  10.161   7.672
   95    HA   GLU  14           HA       GLU  14  -3.943  12.190   6.463
   96    HB2  GLU  14           HB2      GLU  14  -3.624  10.000   8.504
   97    HB3  GLU  14           HB3      GLU  14  -2.236  10.873   7.865
   98    HG2  GLU  14           HG2      GLU  14  -2.981  12.972   8.739
   99    HG3  GLU  14           HG3      GLU  14  -4.543  12.303   9.208
  100    H    ARG  15           H        ARG  15  -5.384   9.428   5.350
  101    HA   ARG  15           HA       ARG  15  -2.888   8.309   4.174
  102    HB2  ARG  15           HB2      ARG  15  -4.726   7.017   5.757
  103    HB3  ARG  15           HB3      ARG  15  -5.398   6.693   4.160
  104    HG2  ARG  15           HG2      ARG  15  -2.774   6.075   3.654
  105    HG3  ARG  15           HG3      ARG  15  -2.781   5.856   5.407
  106    HD2  ARG  15           HD2      ARG  15  -5.051   4.495   4.802
  107    HD3  ARG  15           HD3      ARG  15  -4.224   4.390   3.212
  108    HE   ARG  15           HE       ARG  15  -2.476   3.104   4.207
  109   HH11  ARG  15          HH11      ARG  15  -4.930   3.906   6.608
  110   HH12  ARG  15          HH12      ARG  15  -3.972   3.281   7.918
  111   HH21  ARG  15          HH21      ARG  15  -1.629   1.910   5.721
  112   HH22  ARG  15          HH22      ARG  15  -2.353   1.821   7.339
  113    H    LYS  16           H        LYS  16  -2.774   7.611   2.156
  114    HA   LYS  16           HA       LYS  16  -4.443   8.594  -0.014
  115    HB2  LYS  16           HB2      LYS  16  -2.257   6.489   0.216
  116    HB3  LYS  16           HB3      LYS  16  -3.018   6.916  -1.311
  117    HG2  LYS  16           HG2      LYS  16  -2.205   9.148  -1.253
  118    HG3  LYS  16           HG3      LYS  16  -1.725   9.058   0.432
  119    HD2  LYS  16           HD2      LYS  16   0.229   7.975   0.038
  120    HD3  LYS  16           HD3      LYS  16  -0.401   7.022  -1.304
  121    HE2  LYS  16           HE2      LYS  16   0.130  10.007  -1.502
  122    HE3  LYS  16           HE3      LYS  16   1.340   8.775  -1.922
  123    HZ1  LYS  16           HZ1      LYS  16  -0.238   7.873  -3.515
  124    HZ2  LYS  16           HZ2      LYS  16   0.067   9.428  -3.906
  125    HZ3  LYS  16           HZ3      LYS  16  -1.346   9.008  -3.189
  126    H    CYS  17           H        CYS  17  -6.011   7.527  -1.195
  127    HA   CYS  17           HA       CYS  17  -6.811   4.766  -0.451
  128    HB2  CYS  17           HB2      CYS  17  -8.629   6.072  -1.295
  129    HB3  CYS  17           HB3      CYS  17  -7.671   6.625  -2.667
  130    H    CYS  18           H        CYS  18  -5.950   2.997  -1.415
  131    HA   CYS  18           HA       CYS  18  -3.520   2.852  -2.589
  132    HB2  CYS  18           HB2      CYS  18  -5.159   1.063  -1.687
  133    HB3  CYS  18           HB3      CYS  18  -5.727   0.923  -3.342
  134    H    GLU  19           H        GLU  19  -6.558   2.928  -4.550
  135    HA   GLU  19           HA       GLU  19  -4.906   3.524  -6.995
  136    HB2  GLU  19           HB2      GLU  19  -7.608   2.225  -7.003
  137    HB3  GLU  19           HB3      GLU  19  -6.479   2.341  -8.336
  138    HG2  GLU  19           HG2      GLU  19  -6.081   0.628  -5.845
  139    HG3  GLU  19           HG3      GLU  19  -6.867   0.100  -7.318
  140    H    GLY  20           H        GLY  20  -6.498   5.366  -4.923
  141    HA2  GLY  20           HA2      GLY  20  -7.660   7.351  -5.082
  142    HA3  GLY  20           HA3      GLY  20  -7.482   7.290  -6.835
  143    H    MET  21           H        MET  21  -9.059   4.572  -5.459
  144    HA   MET  21           HA       MET  21 -11.694   5.109  -6.559
  145    HB2  MET  21           HB2      MET  21 -10.855   2.979  -4.558
  146    HB3  MET  21           HB3      MET  21 -12.301   2.970  -5.549
  147    HG2  MET  21           HG2      MET  21  -9.497   2.940  -6.685
  148    HG3  MET  21           HG3      MET  21 -10.356   1.473  -6.253
  149    HE1  MET  21           HE1      MET  21  -9.275   1.344  -8.999
  150    HE2  MET  21           HE2      MET  21 -10.079   2.251 -10.303
  151    HE3  MET  21           HE3      MET  21  -9.104   3.113  -9.099
  152    H    VAL  22           H        VAL  22 -13.619   4.678  -4.903
  153    HA   VAL  22           HA       VAL  22 -13.719   6.713  -2.841
  154    HB   VAL  22           HB       VAL  22 -15.554   4.375  -3.495
  155   HG11  VAL  22          HG11      VAL  22 -17.264   5.599  -2.183
  156   HG12  VAL  22          HG12      VAL  22 -15.949   5.016  -1.165
  157   HG13  VAL  22          HG13      VAL  22 -16.017   6.737  -1.626
  158   HG21  VAL  22          HG21      VAL  22 -15.428   6.093  -5.288
  159   HG22  VAL  22          HG22      VAL  22 -17.001   6.136  -4.481
  160   HG23  VAL  22          HG23      VAL  22 -15.778   7.354  -4.096
  161    H    CYS  23           H        CYS  23 -13.219   6.573  -0.709
  162    HA   CYS  23           HA       CYS  23 -12.173   3.972   0.314
  163    HB2  CYS  23           HB2      CYS  23 -10.659   5.950  -0.553
  164    HB3  CYS  23           HB3      CYS  23 -11.011   6.661   1.000
  165    H    ARG  24           H        ARG  24 -13.407   3.276   1.957
  166    HA   ARG  24           HA       ARG  24 -13.572   4.914   4.411
  167    HB2  ARG  24           HB2      ARG  24 -16.059   3.742   3.127
  168    HB3  ARG  24           HB3      ARG  24 -15.907   4.070   4.827
  169    HG2  ARG  24           HG2      ARG  24 -16.924   6.006   4.358
  170    HG3  ARG  24           HG3      ARG  24 -15.260   6.530   4.088
  171    HD2  ARG  24           HD2      ARG  24 -16.715   7.242   2.249
  172    HD3  ARG  24           HD3      ARG  24 -15.580   6.042   1.621
  173    HE   ARG  24           HE       ARG  24 -17.610   4.432   2.323
  174   HH11  ARG  24          HH11      ARG  24 -17.683   7.398   0.355
  175   HH12  ARG  24          HH12      ARG  24 -18.989   6.709  -0.602
  176   HH21  ARG  24          HH21      ARG  24 -19.129   3.725   0.919
  177   HH22  ARG  24          HH22      ARG  24 -19.709   4.818  -0.354
  178    H    LEU  25           H        LEU  25 -12.518   3.615   5.773
  179    HA   LEU  25           HA       LEU  25 -11.384   1.849   6.618
  180    HB2  LEU  25           HB2      LEU  25 -13.937   0.290   6.167
  181    HB3  LEU  25           HB3      LEU  25 -12.629  -0.142   7.259
  182    HG   LEU  25           HG       LEU  25 -14.385   2.337   7.517
  183   HD11  LEU  25          HD11      LEU  25 -15.616   0.253   7.934
  184   HD12  LEU  25          HD12      LEU  25 -15.409   1.210   9.409
  185   HD13  LEU  25          HD13      LEU  25 -14.395  -0.221   9.137
  186   HD21  LEU  25          HD21      LEU  25 -13.404   2.511   9.791
  187   HD22  LEU  25          HD22      LEU  25 -12.179   2.723   8.541
  188   HD23  LEU  25          HD23      LEU  25 -12.294   1.176   9.413
  189    H    TRP  26           H        TRP  26 -12.765   1.102   3.485
  190    HA   TRP  26           HA       TRP  26 -10.292  -0.243   2.623
  191    HB2  TRP  26           HB2      TRP  26 -11.920  -1.868   1.385
  192    HB3  TRP  26           HB3      TRP  26 -11.495  -2.144   3.058
  193    HD1  TRP  26           HD1      TRP  26 -13.312  -2.083   4.871
  194    HE1  TRP  26           HE1      TRP  26 -15.856  -1.731   4.944
  195    HE3  TRP  26           HE3      TRP  26 -14.053  -0.519   0.061
  196    HZ2  TRP  26           HZ2      TRP  26 -17.945  -1.018   3.115
  197    HZ3  TRP  26           HZ3      TRP  26 -16.350  -0.041  -0.768
  198    HH2  TRP  26           HH2      TRP  26 -18.307  -0.327   0.738
  199    H    CYS  27           H        CYS  27 -10.088  -0.318   0.242
  200    HA   CYS  27           HA       CYS  27 -11.675   1.807  -1.104
  201    HB2  CYS  27           HB2      CYS  27  -9.256   2.409  -0.216
  202    HB3  CYS  27           HB3      CYS  27  -8.758   1.636  -1.723
  203    H    LYS  28           H        LYS  28 -12.808  -0.147  -1.631
  204    HA   LYS  28           HA       LYS  28 -11.820  -2.405  -2.887
  205    HB2  LYS  28           HB2      LYS  28 -14.012  -2.152  -1.723
  206    HB3  LYS  28           HB3      LYS  28 -14.637  -1.255  -3.100
  207    HG2  LYS  28           HG2      LYS  28 -14.053  -3.429  -4.481
  208    HG3  LYS  28           HG3      LYS  28 -13.887  -4.170  -2.886
  209    HD2  LYS  28           HD2      LYS  28 -16.260  -3.289  -2.387
  210    HD3  LYS  28           HD3      LYS  28 -16.353  -2.852  -4.092
  211    HE2  LYS  28           HE2      LYS  28 -17.473  -4.944  -3.836
  212    HE3  LYS  28           HE3      LYS  28 -15.964  -5.276  -4.693
  213    HZ1  LYS  28           HZ1      LYS  28 -16.322  -5.629  -1.762
  214    HZ2  LYS  28           HZ2      LYS  28 -15.023  -6.124  -2.685
  215    HZ3  LYS  28           HZ3      LYS  28 -16.484  -6.848  -2.837
  216    H    LYS  29           H        LYS  29 -14.083  -0.523  -4.797
  217    HA   LYS  29           HA       LYS  29 -12.411   0.541  -6.762
  218    HB2  LYS  29           HB2      LYS  29 -13.150  -2.271  -7.289
  219    HB3  LYS  29           HB3      LYS  29 -13.709  -1.196  -8.565
  220    HG2  LYS  29           HG2      LYS  29 -11.558  -0.497  -9.166
  221    HG3  LYS  29           HG3      LYS  29 -10.858  -0.890  -7.598
  222    HD2  LYS  29           HD2      LYS  29 -10.063  -2.500  -9.242
  223    HD3  LYS  29           HD3      LYS  29 -11.072  -3.277  -8.024
  224    HE2  LYS  29           HE2      LYS  29 -11.840  -4.255  -9.991
  225    HE3  LYS  29           HE3      LYS  29 -13.037  -3.001  -9.686
  226    HZ1  LYS  29           HZ1      LYS  29 -10.863  -3.020 -11.684
  227    HZ2  LYS  29           HZ2      LYS  29 -11.630  -1.599 -11.301
  228    HZ3  LYS  29           HZ3      LYS  29 -12.496  -2.854 -11.909
  229    H    LYS  30           H        LYS  30 -13.579   2.095  -7.827
  230    HA   LYS  30           HA       LYS  30 -16.415   1.943  -8.330
  231    HB2  LYS  30           HB2      LYS  30 -16.424   2.240  -5.830
  232    HB3  LYS  30           HB3      LYS  30 -15.630   3.787  -6.026
  233    HG2  LYS  30           HG2      LYS  30 -17.551   4.815  -6.864
  234    HG3  LYS  30           HG3      LYS  30 -18.200   3.329  -7.543
  235    HD2  LYS  30           HD2      LYS  30 -18.102   4.023  -4.576
  236    HD3  LYS  30           HD3      LYS  30 -19.499   4.235  -5.623
  237    HE2  LYS  30           HE2      LYS  30 -18.197   1.587  -4.859
  238    HE3  LYS  30           HE3      LYS  30 -19.741   2.233  -4.278
  239    HZ1  LYS  30           HZ1      LYS  30 -20.492   2.155  -6.661
  240    HZ2  LYS  30           HZ2      LYS  30 -20.206   0.679  -6.017
  241    HZ3  LYS  30           HZ3      LYS  30 -19.139   1.339  -7.058
  242    H    LEU  31           H        LEU  31 -14.313   2.547 -10.092
  243    HA   LEU  31           HA       LEU  31 -14.644   5.454 -10.599
  244    HB2  LEU  31           HB2      LEU  31 -12.731   5.054  -9.029
  245    HB3  LEU  31           HB3      LEU  31 -11.972   4.082 -10.299
  246    HG   LEU  31           HG       LEU  31 -11.652   6.016 -11.709
  247   HD11  LEU  31          HD11      LEU  31 -13.590   7.432 -11.248
  248   HD12  LEU  31          HD12      LEU  31 -12.139   8.299 -10.732
  249   HD13  LEU  31          HD13      LEU  31 -13.159   7.526  -9.526
  250   HD21  LEU  31          HD21      LEU  31 -10.073   7.204 -10.308
  251   HD22  LEU  31          HD22      LEU  31 -10.051   5.492  -9.838
  252   HD23  LEU  31          HD23      LEU  31 -10.904   6.677  -8.830
  253    H    LEU  32           H        LEU  32 -14.172   6.199 -12.622
  254    HA   LEU  32           HA       LEU  32 -13.631   4.248 -14.796
  255    HB2  LEU  32           HB2      LEU  32 -15.507   5.334 -16.041
  256    HB3  LEU  32           HB3      LEU  32 -16.006   4.282 -14.725
  257    HG   LEU  32           HG       LEU  32 -15.796   7.256 -14.112
  258   HD11  LEU  32          HD11      LEU  32 -16.971   7.210 -16.260
  259   HD12  LEU  32          HD12      LEU  32 -18.106   7.572 -14.956
  260   HD13  LEU  32          HD13      LEU  32 -18.065   5.943 -15.665
  261   HD21  LEU  32          HD21      LEU  32 -17.808   5.119 -13.291
  262   HD22  LEU  32          HD22      LEU  32 -17.753   6.800 -12.716
  263   HD23  LEU  32          HD23      LEU  32 -16.468   5.678 -12.283
  Start of MODEL   18
    1    H1   GLY   1           H1       GLY   1   3.605  -7.079  -7.347
    2    H2   GLY   1           H2       GLY   1   4.197  -7.210  -5.810
    3    H3   GLY   1           H3       GLY   1   2.722  -7.831  -6.168
    4    HA2  GLY   1           HA2      GLY   1   3.452  -4.988  -6.275
    5    HA3  GLY   1           HA3      GLY   1   1.842  -5.639  -6.623
    6    HA   PRO   2           HA       PRO   2   2.433  -4.992  -1.880
    7    HB2  PRO   2           HB2      PRO   2   1.979  -2.319  -1.520
    8    HB3  PRO   2           HB3      PRO   2   3.616  -3.001  -1.757
    9    HG2  PRO   2           HG2      PRO   2   1.803  -1.748  -3.850
   10    HG3  PRO   2           HG3      PRO   2   3.533  -1.392  -3.530
   11    HD2  PRO   2           HD2      PRO   2   2.768  -3.097  -5.494
   12    HD3  PRO   2           HD3      PRO   2   4.238  -3.405  -4.520
   13    H    TYR   3           H        TYR   3   0.529  -4.404  -0.536
   14    HA   TYR   3           HA       TYR   3  -1.953  -4.375  -2.127
   15    HB2  TYR   3           HB2      TYR   3  -2.924  -5.894  -0.332
   16    HB3  TYR   3           HB3      TYR   3  -1.969  -6.503  -1.658
   17    HD1  TYR   3           HD1      TYR   3  -1.331  -5.219   1.855
   18    HD2  TYR   3           HD2      TYR   3  -0.447  -8.183  -1.160
   19    HE1  TYR   3           HE1      TYR   3   0.158  -6.405   3.451
   20    HE2  TYR   3           HE2      TYR   3   1.034  -9.372   0.461
   21    HH   TYR   3           HH       TYR   3   1.565  -8.166   3.790
   22    H    CYS   4           H        CYS   4  -3.599  -3.160  -1.796
   23    HA   CYS   4           HA       CYS   4  -4.278  -2.364   0.893
   24    HB2  CYS   4           HB2      CYS   4  -4.474   0.156   0.008
   25    HB3  CYS   4           HB3      CYS   4  -3.125  -0.475   0.909
   26    H    GLN   5           H        GLN   5  -5.111  -1.440  -2.517
   27    HA   GLN   5           HA       GLN   5  -7.798  -0.936  -1.923
   28    HB2  GLN   5           HB2      GLN   5  -7.479  -0.023  -3.881
   29    HB3  GLN   5           HB3      GLN   5  -6.099  -1.018  -4.251
   30    HG2  GLN   5           HG2      GLN   5  -8.964  -1.908  -4.758
   31    HG3  GLN   5           HG3      GLN   5  -7.973  -1.024  -5.915
   32   HE21  GLN   5          HE21      GLN   5  -5.457  -2.192  -5.889
   33   HE22  GLN   5          HE22      GLN   5  -5.639  -3.905  -6.248
   34    H    LYS   6           H        LYS   6  -6.415  -4.037  -2.964
   35    HA   LYS   6           HA       LYS   6  -8.913  -5.498  -2.768
   36    HB2  LYS   6           HB2      LYS   6  -6.764  -6.027  -4.131
   37    HB3  LYS   6           HB3      LYS   6  -6.094  -6.631  -2.607
   38    HG2  LYS   6           HG2      LYS   6  -8.121  -8.196  -2.482
   39    HG3  LYS   6           HG3      LYS   6  -8.566  -7.622  -4.092
   40    HD2  LYS   6           HD2      LYS   6  -6.268  -8.414  -4.893
   41    HD3  LYS   6           HD3      LYS   6  -6.027  -9.093  -3.279
   42    HE2  LYS   6           HE2      LYS   6  -8.361 -10.226  -3.672
   43    HE3  LYS   6           HE3      LYS   6  -8.098  -9.851  -5.377
   44    HZ1  LYS   6           HZ1      LYS   6  -6.338 -11.502  -3.640
   45    HZ2  LYS   6           HZ2      LYS   6  -5.991 -11.176  -5.201
   46    HZ3  LYS   6           HZ3      LYS   6  -7.329 -12.046  -4.841
   47    H    TRP   7           H        TRP   7  -6.782  -4.347  -0.367
   48    HA   TRP   7           HA       TRP   7  -7.527  -6.433   1.620
   49    HB2  TRP   7           HB2      TRP   7  -5.408  -7.048   0.678
   50    HB3  TRP   7           HB3      TRP   7  -4.785  -5.422   0.899
   51    HD1  TRP   7           HD1      TRP   7  -3.780  -4.788   3.210
   52    HE1  TRP   7           HE1      TRP   7  -3.466  -5.919   5.477
   53    HE3  TRP   7           HE3      TRP   7  -6.409  -9.077   2.318
   54    HZ2  TRP   7           HZ2      TRP   7  -4.129  -8.454   6.705
   55    HZ3  TRP   7           HZ3      TRP   7  -6.626 -10.790   4.107
   56    HH2  TRP   7           HH2      TRP   7  -5.505 -10.499   6.276
   57    H    MET   8           H        MET   8  -9.095  -4.618   1.930
   58    HA   MET   8           HA       MET   8  -9.941  -3.216   3.590
   59    HB2  MET   8           HB2      MET   8  -8.296  -5.358   4.952
   60    HB3  MET   8           HB3      MET   8  -9.621  -4.453   5.706
   61    HG2  MET   8           HG2      MET   8 -11.219  -5.283   4.103
   62    HG3  MET   8           HG3      MET   8  -9.963  -6.118   3.188
   63    HE1  MET   8           HE1      MET   8 -12.798  -7.283   4.517
   64    HE2  MET   8           HE2      MET   8 -11.769  -8.071   3.302
   65    HE3  MET   8           HE3      MET   8 -12.203  -8.929   4.802
   66    H    GLN   9           H        GLN   9  -7.854  -1.728   2.682
   67    HA   GLN   9           HA       GLN   9  -5.723  -1.430   4.368
   68    HB2  GLN   9           HB2      GLN   9  -4.940   0.194   2.743
   69    HB3  GLN   9           HB3      GLN   9  -5.728  -1.149   1.978
   70    HG2  GLN   9           HG2      GLN   9  -7.371   0.137   1.042
   71    HG3  GLN   9           HG3      GLN   9  -7.646   1.039   2.526
   72   HE21  GLN   9          HE21      GLN   9  -5.432   2.470   3.063
   73   HE22  GLN   9          HE22      GLN   9  -5.014   3.484   1.668
   74    H    THR  10           H        THR  10  -8.181  -0.344   5.888
   75    HA   THR  10           HA       THR  10  -8.707   1.452   7.232
   76    HB   THR  10           HB       THR  10  -5.733   1.947   7.472
   77    HG1  THR  10           HG1      THR  10  -7.300  -0.217   8.342
   78   HG21  THR  10          HG21      THR  10  -7.569   3.253   8.837
   79   HG22  THR  10          HG22      THR  10  -6.180   2.564   9.659
   80   HG23  THR  10          HG23      THR  10  -7.751   1.731   9.731
   81    H    CYS  11           H        CYS  11  -9.123   2.279   4.709
   82    HA   CYS  11           HA       CYS  11  -7.636   4.714   4.107
   83    HB2  CYS  11           HB2      CYS  11  -8.895   3.081   2.505
   84    HB3  CYS  11           HB3      CYS  11 -10.304   4.082   2.885
   85    H    ASP  12           H        ASP  12  -7.999   6.718   4.905
   86    HA   ASP  12           HA       ASP  12 -10.226   7.288   6.780
   87    HB2  ASP  12           HB2      ASP  12  -8.623   5.513   7.732
   88    HB3  ASP  12           HB3      ASP  12  -7.336   6.716   7.638
   89    H    SER  13           H        SER  13  -9.575   9.390   7.937
   90    HA   SER  13           HA       SER  13  -9.735  11.437   6.305
   91    HB2  SER  13           HB2      SER  13  -9.931  11.696   8.658
   92    HB3  SER  13           HB3      SER  13  -8.205  11.426   8.916
   93    HG   SER  13           HG       SER  13  -7.812  13.426   8.482
   94    H    GLU  14           H        GLU  14  -6.404  10.652   7.388
   95    HA   GLU  14           HA       GLU  14  -5.266  12.455   5.312
   96    HB2  GLU  14           HB2      GLU  14  -4.524  12.698   7.581
   97    HB3  GLU  14           HB3      GLU  14  -4.214  10.974   7.744
   98    HG2  GLU  14           HG2      GLU  14  -2.281  11.064   6.361
   99    HG3  GLU  14           HG3      GLU  14  -2.678  12.675   5.761
  100    H    ARG  15           H        ARG  15  -5.892   9.054   5.645
  101    HA   ARG  15           HA       ARG  15  -3.209   8.296   4.691
  102    HB2  ARG  15           HB2      ARG  15  -4.199   7.256   6.690
  103    HB3  ARG  15           HB3      ARG  15  -5.463   6.516   5.708
  104    HG2  ARG  15           HG2      ARG  15  -2.572   6.084   4.874
  105    HG3  ARG  15           HG3      ARG  15  -3.124   5.297   6.355
  106    HD2  ARG  15           HD2      ARG  15  -4.988   4.220   5.168
  107    HD3  ARG  15           HD3      ARG  15  -4.537   5.058   3.647
  108    HE   ARG  15           HE       ARG  15  -2.664   3.648   3.416
  109   HH11  ARG  15          HH11      ARG  15  -3.860   3.278   6.766
  110   HH12  ARG  15          HH12      ARG  15  -2.786   1.910   6.961
  111   HH21  ARG  15          HH21      ARG  15  -1.312   2.006   3.982
  112   HH22  ARG  15          HH22      ARG  15  -1.481   1.271   5.575
  113    H    LYS  16           H        LYS  16  -2.704   7.811   2.766
  114    HA   LYS  16           HA       LYS  16  -4.155   8.302   0.538
  115    HB2  LYS  16           HB2      LYS  16  -1.685   8.100   0.737
  116    HB3  LYS  16           HB3      LYS  16  -1.827   6.350   0.834
  117    HG2  LYS  16           HG2      LYS  16  -1.062   7.032  -1.346
  118    HG3  LYS  16           HG3      LYS  16  -2.665   6.319  -1.507
  119    HD2  LYS  16           HD2      LYS  16  -3.676   8.562  -1.699
  120    HD3  LYS  16           HD3      LYS  16  -2.131   9.323  -1.286
  121    HE2  LYS  16           HE2      LYS  16  -2.436   9.541  -3.641
  122    HE3  LYS  16           HE3      LYS  16  -1.128   8.386  -3.361
  123    HZ1  LYS  16           HZ1      LYS  16  -2.693   6.591  -3.810
  124    HZ2  LYS  16           HZ2      LYS  16  -2.699   7.633  -5.056
  125    HZ3  LYS  16           HZ3      LYS  16  -3.943   7.664  -3.999
  126    H    CYS  17           H        CYS  17  -5.698   7.403  -0.667
  127    HA   CYS  17           HA       CYS  17  -6.481   4.594  -0.433
  128    HB2  CYS  17           HB2      CYS  17  -8.152   6.272  -1.085
  129    HB3  CYS  17           HB3      CYS  17  -7.175   6.708  -2.488
  130    H    CYS  18           H        CYS  18  -5.748   2.944  -1.562
  131    HA   CYS  18           HA       CYS  18  -3.289   2.762  -2.638
  132    HB2  CYS  18           HB2      CYS  18  -5.232   1.045  -2.019
  133    HB3  CYS  18           HB3      CYS  18  -5.452   1.021  -3.757
  134    H    GLU  19           H        GLU  19  -6.224   3.056  -4.749
  135    HA   GLU  19           HA       GLU  19  -4.453   3.989  -6.966
  136    HB2  GLU  19           HB2      GLU  19  -6.741   2.549  -7.978
  137    HB3  GLU  19           HB3      GLU  19  -5.074   2.420  -8.421
  138    HG2  GLU  19           HG2      GLU  19  -6.262   0.981  -5.994
  139    HG3  GLU  19           HG3      GLU  19  -6.373   0.358  -7.624
  140    H    GLY  20           H        GLY  20  -6.976   5.010  -5.059
  141    HA2  GLY  20           HA2      GLY  20  -7.655   7.307  -5.456
  142    HA3  GLY  20           HA3      GLY  20  -7.939   6.935  -7.146
  143    H    MET  21           H        MET  21  -9.267   4.344  -5.738
  144    HA   MET  21           HA       MET  21 -11.967   5.222  -6.145
  145    HB2  MET  21           HB2      MET  21 -12.491   2.842  -5.702
  146    HB3  MET  21           HB3      MET  21 -11.283   3.120  -6.925
  147    HG2  MET  21           HG2      MET  21 -10.400   2.558  -4.090
  148    HG3  MET  21           HG3      MET  21 -10.918   1.243  -5.127
  149    HE1  MET  21           HE1      MET  21  -8.425   0.934  -7.949
  150    HE2  MET  21           HE2      MET  21  -9.772   0.208  -7.058
  151    HE3  MET  21           HE3      MET  21 -10.001   1.716  -7.972
  152    H    VAL  22           H        VAL  22 -13.353   3.558  -4.233
  153    HA   VAL  22           HA       VAL  22 -14.091   5.811  -2.647
  154    HB   VAL  22           HB       VAL  22 -15.202   2.989  -2.618
  155   HG11  VAL  22          HG11      VAL  22 -17.279   4.120  -1.825
  156   HG12  VAL  22          HG12      VAL  22 -15.955   4.259  -0.669
  157   HG13  VAL  22          HG13      VAL  22 -16.389   5.650  -1.697
  158   HG21  VAL  22          HG21      VAL  22 -15.277   3.961  -4.894
  159   HG22  VAL  22          HG22      VAL  22 -16.884   3.903  -4.186
  160   HG23  VAL  22          HG23      VAL  22 -16.004   5.444  -4.241
  161    H    CYS  23           H        CYS  23 -13.013   6.454  -0.959
  162    HA   CYS  23           HA       CYS  23 -11.505   4.618   0.734
  163    HB2  CYS  23           HB2      CYS  23 -10.557   6.600  -0.379
  164    HB3  CYS  23           HB3      CYS  23 -11.645   7.637   0.534
  165    H    ARG  24           H        ARG  24 -13.031   3.632   2.102
  166    HA   ARG  24           HA       ARG  24 -13.992   5.282   4.389
  167    HB2  ARG  24           HB2      ARG  24 -15.876   3.680   2.608
  168    HB3  ARG  24           HB3      ARG  24 -16.217   4.014   4.293
  169    HG2  ARG  24           HG2      ARG  24 -17.355   5.740   3.455
  170    HG3  ARG  24           HG3      ARG  24 -15.782   6.543   3.637
  171    HD2  ARG  24           HD2      ARG  24 -15.329   6.028   1.186
  172    HD3  ARG  24           HD3      ARG  24 -16.889   5.202   1.123
  173    HE   ARG  24           HE       ARG  24 -17.978   7.215   1.044
  174   HH11  ARG  24          HH11      ARG  24 -14.671   7.929   2.175
  175   HH12  ARG  24          HH12      ARG  24 -15.041   9.637   2.272
  176   HH21  ARG  24          HH21      ARG  24 -18.218   9.365   1.021
  177   HH22  ARG  24          HH22      ARG  24 -16.909  10.461   1.399
  178    H    LEU  25           H        LEU  25 -12.255   4.200   5.454
  179    HA   LEU  25           HA       LEU  25 -11.286   2.671   6.770
  180    HB2  LEU  25           HB2      LEU  25 -13.780   0.960   6.704
  181    HB3  LEU  25           HB3      LEU  25 -12.506   0.927   7.888
  182    HG   LEU  25           HG       LEU  25 -14.524   3.179   7.442
  183   HD11  LEU  25          HD11      LEU  25 -15.272   2.571   9.719
  184   HD12  LEU  25          HD12      LEU  25 -14.096   1.248   9.755
  185   HD13  LEU  25          HD13      LEU  25 -15.425   1.212   8.593
  186   HD21  LEU  25          HD21      LEU  25 -13.595   4.306   9.372
  187   HD22  LEU  25          HD22      LEU  25 -12.326   4.130   8.169
  188   HD23  LEU  25          HD23      LEU  25 -12.372   3.048   9.583
  189    H    TRP  26           H        TRP  26 -12.244   1.915   3.697
  190    HA   TRP  26           HA       TRP  26  -9.919   0.225   3.173
  191    HB2  TRP  26           HB2      TRP  26 -11.561  -1.315   1.812
  192    HB3  TRP  26           HB3      TRP  26 -11.254  -1.561   3.509
  193    HD1  TRP  26           HD1      TRP  26 -13.194  -1.889   5.022
  194    HE1  TRP  26           HE1      TRP  26 -15.695  -1.414   5.027
  195    HE3  TRP  26           HE3      TRP  26 -13.500   0.922   0.729
  196    HZ2  TRP  26           HZ2      TRP  26 -17.599   0.023   3.398
  197    HZ3  TRP  26           HZ3      TRP  26 -15.634   1.933   0.069
  198    HH2  TRP  26           HH2      TRP  26 -17.704   1.493   1.377
  199    H    CYS  27           H        CYS  27 -10.016  -0.237   0.543
  200    HA   CYS  27           HA       CYS  27 -11.338   2.007  -0.801
  201    HB2  CYS  27           HB2      CYS  27  -8.747   2.428  -0.077
  202    HB3  CYS  27           HB3      CYS  27  -8.546   1.801  -1.717
  203    H    LYS  28           H        LYS  28 -12.685   0.239  -1.374
  204    HA   LYS  28           HA       LYS  28 -11.789  -1.907  -3.135
  205    HB2  LYS  28           HB2      LYS  28 -14.480  -0.895  -2.153
  206    HB3  LYS  28           HB3      LYS  28 -14.381  -2.083  -3.428
  207    HG2  LYS  28           HG2      LYS  28 -14.807  -3.193  -1.407
  208    HG3  LYS  28           HG3      LYS  28 -13.218  -3.675  -1.984
  209    HD2  LYS  28           HD2      LYS  28 -12.129  -2.712  -0.179
  210    HD3  LYS  28           HD3      LYS  28 -13.323  -1.421  -0.018
  211    HE2  LYS  28           HE2      LYS  28 -13.447  -2.903   1.914
  212    HE3  LYS  28           HE3      LYS  28 -14.952  -2.901   0.994
  213    HZ1  LYS  28           HZ1      LYS  28 -14.365  -5.013   0.067
  214    HZ2  LYS  28           HZ2      LYS  28 -14.260  -5.108   1.685
  215    HZ3  LYS  28           HZ3      LYS  28 -12.878  -5.016   0.770
  216    H    LYS  29           H        LYS  29 -12.186  -2.197  -5.330
  217    HA   LYS  29           HA       LYS  29 -12.234   0.180  -6.992
  218    HB2  LYS  29           HB2      LYS  29 -11.053  -2.044  -7.478
  219    HB3  LYS  29           HB3      LYS  29 -12.643  -2.665  -7.950
  220    HG2  LYS  29           HG2      LYS  29 -12.750  -0.635  -9.569
  221    HG3  LYS  29           HG3      LYS  29 -11.028  -0.435  -9.227
  222    HD2  LYS  29           HD2      LYS  29 -10.824  -2.955  -9.891
  223    HD3  LYS  29           HD3      LYS  29 -12.454  -2.781 -10.529
  224    HE2  LYS  29           HE2      LYS  29  -9.944  -1.272 -11.397
  225    HE3  LYS  29           HE3      LYS  29 -10.804  -2.531 -12.302
  226    HZ1  LYS  29           HZ1      LYS  29 -11.784   0.201 -11.709
  227    HZ2  LYS  29           HZ2      LYS  29 -12.759  -0.973 -12.302
  228    HZ3  LYS  29           HZ3      LYS  29 -11.480  -0.438 -13.177
  229    H    LYS  30           H        LYS  30 -13.890   1.284  -7.666
  230    HA   LYS  30           HA       LYS  30 -16.527   0.184  -8.282
  231    HB2  LYS  30           HB2      LYS  30 -16.489   0.210  -5.771
  232    HB3  LYS  30           HB3      LYS  30 -16.238   1.951  -5.810
  233    HG2  LYS  30           HG2      LYS  30 -18.403   2.249  -6.951
  234    HG3  LYS  30           HG3      LYS  30 -18.610   0.497  -7.059
  235    HD2  LYS  30           HD2      LYS  30 -18.683   0.287  -4.624
  236    HD3  LYS  30           HD3      LYS  30 -18.361   2.015  -4.430
  237    HE2  LYS  30           HE2      LYS  30 -20.836   0.777  -5.703
  238    HE3  LYS  30           HE3      LYS  30 -20.737   1.484  -4.078
  239    HZ1  LYS  30           HZ1      LYS  30 -20.435   2.876  -6.656
  240    HZ2  LYS  30           HZ2      LYS  30 -20.109   3.608  -5.190
  241    HZ3  LYS  30           HZ3      LYS  30 -21.624   3.126  -5.570
  242    H    LEU  31           H        LEU  31 -15.873   1.117 -10.237
  243    HA   LEU  31           HA       LEU  31 -16.706   3.882 -10.681
  244    HB2  LEU  31           HB2      LEU  31 -14.374   4.175 -10.103
  245    HB3  LEU  31           HB3      LEU  31 -13.869   2.898 -11.202
  246    HG   LEU  31           HG       LEU  31 -15.221   5.382 -12.292
  247   HD11  LEU  31          HD11      LEU  31 -12.962   6.371 -12.537
  248   HD12  LEU  31          HD12      LEU  31 -12.272   5.042 -11.584
  249   HD13  LEU  31          HD13      LEU  31 -13.415   6.188 -10.841
  250   HD21  LEU  31          HD21      LEU  31 -14.761   3.542 -13.923
  251   HD22  LEU  31          HD22      LEU  31 -13.068   3.506 -13.402
  252   HD23  LEU  31          HD23      LEU  31 -13.726   4.926 -14.234
  253    H    LEU  32           H        LEU  32 -17.514   4.097 -12.801
  254    HA   LEU  32           HA       LEU  32 -17.286   1.689 -14.609
  255    HB2  LEU  32           HB2      LEU  32 -19.735   1.655 -14.863
  256    HB3  LEU  32           HB3      LEU  32 -19.231   1.211 -13.241
  257    HG   LEU  32           HG       LEU  32 -19.760   4.154 -13.522
  258   HD11  LEU  32          HD11      LEU  32 -22.054   2.179 -13.873
  259   HD12  LEU  32          HD12      LEU  32 -21.471   3.329 -15.097
  260   HD13  LEU  32          HD13      LEU  32 -22.208   3.929 -13.603
  261   HD21  LEU  32          HD21      LEU  32 -20.867   2.006 -11.645
  262   HD22  LEU  32          HD22      LEU  32 -21.024   3.761 -11.445
  263   HD23  LEU  32          HD23      LEU  32 -19.431   3.001 -11.331
  Start of MODEL   19
    1    H1   GLY   1           H1       GLY   1   3.870  -4.987  -3.298
    2    H2   GLY   1           H2       GLY   1   4.916  -4.669  -4.516
    3    H3   GLY   1           H3       GLY   1   4.490  -3.474  -3.455
    4    HA2  GLY   1           HA2      GLY   1   3.363  -3.199  -5.578
    5    HA3  GLY   1           HA3      GLY   1   2.682  -4.823  -5.364
    6    HA   PRO   2           HA       PRO   2   0.177  -1.370  -3.285
    7    HB2  PRO   2           HB2      PRO   2  -1.829  -0.843  -5.040
    8    HB3  PRO   2           HB3      PRO   2  -0.179  -0.199  -5.256
    9    HG2  PRO   2           HG2      PRO   2  -1.376  -2.676  -6.537
   10    HG3  PRO   2           HG3      PRO   2  -0.508  -1.315  -7.317
   11    HD2  PRO   2           HD2      PRO   2   0.750  -3.646  -6.630
   12    HD3  PRO   2           HD3      PRO   2   1.574  -2.059  -6.558
   13    H    TYR   3           H        TYR   3   0.006  -3.403  -1.967
   14    HA   TYR   3           HA       TYR   3  -2.510  -4.874  -2.311
   15    HB2  TYR   3           HB2      TYR   3  -0.183  -5.399  -0.487
   16    HB3  TYR   3           HB3      TYR   3  -1.658  -6.366  -0.553
   17    HD1  TYR   3           HD1      TYR   3   1.601  -6.049  -1.868
   18    HD2  TYR   3           HD2      TYR   3  -2.414  -7.129  -3.029
   19    HE1  TYR   3           HE1      TYR   3   2.477  -7.158  -3.918
   20    HE2  TYR   3           HE2      TYR   3  -1.524  -8.210  -5.089
   21    HH   TYR   3           HH       TYR   3   0.354  -8.467  -6.431
   22    H    CYS   4           H        CYS   4  -3.628  -2.813  -1.993
   23    HA   CYS   4           HA       CYS   4  -4.292  -2.362   0.883
   24    HB2  CYS   4           HB2      CYS   4  -4.047   0.134   0.221
   25    HB3  CYS   4           HB3      CYS   4  -2.670  -0.838   0.678
   26    H    GLN   5           H        GLN   5  -5.523  -2.083  -2.456
   27    HA   GLN   5           HA       GLN   5  -8.198  -1.419  -1.356
   28    HB2  GLN   5           HB2      GLN   5  -7.704  -0.193  -3.269
   29    HB3  GLN   5           HB3      GLN   5  -7.009  -1.558  -4.100
   30    HG2  GLN   5           HG2      GLN   5  -9.955  -1.200  -3.535
   31    HG3  GLN   5           HG3      GLN   5  -9.157  -0.739  -5.025
   32   HE21  GLN   5          HE21      GLN   5  -7.557  -2.965  -5.667
   33   HE22  GLN   5          HE22      GLN   5  -8.644  -4.352  -5.833
   34    H    LYS   6           H        LYS   6  -6.551  -4.051  -3.181
   35    HA   LYS   6           HA       LYS   6  -8.643  -5.973  -2.782
   36    HB2  LYS   6           HB2      LYS   6  -6.392  -5.971  -4.293
   37    HB3  LYS   6           HB3      LYS   6  -5.765  -6.865  -2.901
   38    HG2  LYS   6           HG2      LYS   6  -8.162  -8.146  -3.257
   39    HG3  LYS   6           HG3      LYS   6  -7.902  -7.579  -4.895
   40    HD2  LYS   6           HD2      LYS   6  -6.163  -9.414  -3.213
   41    HD3  LYS   6           HD3      LYS   6  -7.125  -9.832  -4.634
   42    HE2  LYS   6           HE2      LYS   6  -5.596  -8.428  -6.037
   43    HE3  LYS   6           HE3      LYS   6  -4.575  -8.174  -4.607
   44    HZ1  LYS   6           HZ1      LYS   6  -5.245 -10.771  -5.875
   45    HZ2  LYS   6           HZ2      LYS   6  -4.405 -10.673  -4.471
   46    HZ3  LYS   6           HZ3      LYS   6  -3.756 -10.099  -5.853
   47    H    TRP   7           H        TRP   7  -6.591  -4.585  -0.553
   48    HA   TRP   7           HA       TRP   7  -7.080  -6.597   1.555
   49    HB2  TRP   7           HB2      TRP   7  -4.480  -5.798   0.397
   50    HB3  TRP   7           HB3      TRP   7  -4.521  -5.870   2.139
   51    HD1  TRP   7           HD1      TRP   7  -4.922  -8.174  -0.889
   52    HE1  TRP   7           HE1      TRP   7  -4.643 -10.613  -0.105
   53    HE3  TRP   7           HE3      TRP   7  -5.076  -7.430   4.172
   54    HZ2  TRP   7           HZ2      TRP   7  -4.336 -12.017   2.390
   55    HZ3  TRP   7           HZ3      TRP   7  -4.795  -9.340   5.733
   56    HH2  TRP   7           HH2      TRP   7  -4.383 -11.622   4.859
   57    H    MET   8           H        MET   8  -8.409  -4.099   1.071
   58    HA   MET   8           HA       MET   8  -9.264  -2.414   2.332
   59    HB2  MET   8           HB2      MET   8  -9.235  -4.884   4.081
   60    HB3  MET   8           HB3      MET   8 -10.245  -3.468   4.413
   61    HG2  MET   8           HG2      MET   8 -11.143  -3.666   2.048
   62    HG3  MET   8           HG3      MET   8 -10.335  -5.227   1.937
   63    HE1  MET   8           HE1      MET   8 -10.993  -7.348   3.237
   64    HE2  MET   8           HE2      MET   8 -10.812  -6.565   4.818
   65    HE3  MET   8           HE3      MET   8 -12.301  -7.455   4.433
   66    H    GLN   9           H        GLN   9  -7.132  -1.289   2.328
   67    HA   GLN   9           HA       GLN   9  -5.425  -1.073   4.480
   68    HB2  GLN   9           HB2      GLN   9  -4.562   0.866   3.281
   69    HB3  GLN   9           HB3      GLN   9  -4.997  -0.413   2.168
   70    HG2  GLN   9           HG2      GLN   9  -7.121   0.709   1.581
   71    HG3  GLN   9           HG3      GLN   9  -6.875   1.920   2.829
   72   HE21  GLN   9          HE21      GLN   9  -3.967   2.357   2.185
   73   HE22  GLN   9          HE22      GLN   9  -4.210   3.503   0.873
   74    H    THR  10           H        THR  10  -8.211  -0.421   5.668
   75    HA   THR  10           HA       THR  10  -9.021   1.052   7.293
   76    HB   THR  10           HB       THR  10  -6.083   1.469   7.866
   77    HG1  THR  10           HG1      THR  10  -7.775  -0.770   8.119
   78   HG21  THR  10          HG21      THR  10  -8.451   1.008   9.694
   79   HG22  THR  10          HG22      THR  10  -7.767   2.611   9.374
   80   HG23  THR  10          HG23      THR  10  -6.793   1.385  10.189
   81    H    CYS  11           H        CYS  11  -9.573   2.438   5.220
   82    HA   CYS  11           HA       CYS  11  -7.809   4.677   4.809
   83    HB2  CYS  11           HB2      CYS  11  -9.031   3.159   3.130
   84    HB3  CYS  11           HB3      CYS  11 -10.358   4.311   3.286
   85    H    ASP  12           H        ASP  12  -8.011   5.768   6.780
   86    HA   ASP  12           HA       ASP  12 -10.283   7.487   7.382
   87    HB2  ASP  12           HB2      ASP  12  -7.421   7.316   8.362
   88    HB3  ASP  12           HB3      ASP  12  -8.525   8.577   8.890
   89    H    SER  13           H        SER  13  -9.679   9.991   7.708
   90    HA   SER  13           HA       SER  13  -9.525  11.310   5.202
   91    HB2  SER  13           HB2      SER  13 -10.419  12.345   7.207
   92    HB3  SER  13           HB3      SER  13  -8.838  12.303   7.980
   93    HG   SER  13           HG       SER  13  -9.490  14.325   7.085
   94    H    GLU  14           H        GLU  14  -6.894  10.695   7.545
   95    HA   GLU  14           HA       GLU  14  -4.784  11.956   6.063
   96    HB2  GLU  14           HB2      GLU  14  -4.565  11.641   8.393
   97    HB3  GLU  14           HB3      GLU  14  -4.939   9.925   8.294
   98    HG2  GLU  14           HG2      GLU  14  -2.794   9.447   7.229
   99    HG3  GLU  14           HG3      GLU  14  -2.397  11.166   7.203
  100    H    ARG  15           H        ARG  15  -6.273   8.779   5.594
  101    HA   ARG  15           HA       ARG  15  -3.760   7.596   4.728
  102    HB2  ARG  15           HB2      ARG  15  -6.143   6.635   5.824
  103    HB3  ARG  15           HB3      ARG  15  -6.205   6.019   4.180
  104    HG2  ARG  15           HG2      ARG  15  -3.667   5.737   5.857
  105    HG3  ARG  15           HG3      ARG  15  -5.032   4.655   6.140
  106    HD2  ARG  15           HD2      ARG  15  -4.951   3.692   4.005
  107    HD3  ARG  15           HD3      ARG  15  -4.050   5.077   3.309
  108    HE   ARG  15           HE       ARG  15  -2.091   4.024   3.844
  109   HH11  ARG  15          HH11      ARG  15  -4.437   2.473   6.023
  110   HH12  ARG  15          HH12      ARG  15  -3.102   1.794   6.949
  111   HH21  ARG  15          HH21      ARG  15  -0.652   2.872   4.905
  112   HH22  ARG  15          HH22      ARG  15  -1.118   1.934   6.325
  113    H    LYS  16           H        LYS  16  -2.913   7.533   2.757
  114    HA   LYS  16           HA       LYS  16  -4.167   8.569   0.382
  115    HB2  LYS  16           HB2      LYS  16  -1.906   6.534   0.577
  116    HB3  LYS  16           HB3      LYS  16  -2.363   7.475  -0.836
  117    HG2  LYS  16           HG2      LYS  16  -1.119   8.537   1.722
  118    HG3  LYS  16           HG3      LYS  16  -0.362   8.342   0.145
  119    HD2  LYS  16           HD2      LYS  16  -2.407   9.986  -0.597
  120    HD3  LYS  16           HD3      LYS  16  -2.284  10.442   1.108
  121    HE2  LYS  16           HE2      LYS  16  -0.749  11.914   0.126
  122    HE3  LYS  16           HE3      LYS  16   0.302  10.588   0.625
  123    HZ1  LYS  16           HZ1      LYS  16   0.825  11.048  -1.655
  124    HZ2  LYS  16           HZ2      LYS  16  -0.752  11.202  -2.058
  125    HZ3  LYS  16           HZ3      LYS  16  -0.153   9.715  -1.773
  126    H    CYS  17           H        CYS  17  -5.814   7.660  -0.807
  127    HA   CYS  17           HA       CYS  17  -6.604   4.921  -0.515
  128    HB2  CYS  17           HB2      CYS  17  -8.073   6.678  -1.436
  129    HB3  CYS  17           HB3      CYS  17  -7.063   6.753  -2.880
  130    H    CYS  18           H        CYS  18  -6.077   3.114  -1.631
  131    HA   CYS  18           HA       CYS  18  -3.489   2.779  -2.656
  132    HB2  CYS  18           HB2      CYS  18  -5.055   1.178  -1.498
  133    HB3  CYS  18           HB3      CYS  18  -5.941   1.032  -3.003
  134    H    GLU  19           H        GLU  19  -6.543   3.158  -4.453
  135    HA   GLU  19           HA       GLU  19  -5.111   2.951  -7.064
  136    HB2  GLU  19           HB2      GLU  19  -7.639   1.400  -6.419
  137    HB3  GLU  19           HB3      GLU  19  -6.664   1.341  -7.888
  138    HG2  GLU  19           HG2      GLU  19  -4.748   0.532  -6.282
  139    HG3  GLU  19           HG3      GLU  19  -6.053   0.219  -5.143
  140    H    GLY  20           H        GLY  20  -6.655   5.239  -5.560
  141    HA2  GLY  20           HA2      GLY  20  -7.925   7.045  -6.296
  142    HA3  GLY  20           HA3      GLY  20  -7.846   6.398  -7.929
  143    H    MET  21           H        MET  21  -9.395   5.555  -4.806
  144    HA   MET  21           HA       MET  21 -11.941   4.791  -6.140
  145    HB2  MET  21           HB2      MET  21 -10.295   2.963  -4.359
  146    HB3  MET  21           HB3      MET  21 -11.895   2.632  -5.012
  147    HG2  MET  21           HG2      MET  21  -9.400   3.019  -6.680
  148    HG3  MET  21           HG3      MET  21 -10.098   1.471  -6.236
  149    HE1  MET  21           HE1      MET  21 -10.684   1.751 -10.112
  150    HE2  MET  21           HE2      MET  21  -9.463   2.797  -9.371
  151    HE3  MET  21           HE3      MET  21  -9.633   1.120  -8.822
  152    H    VAL  22           H        VAL  22 -13.413   3.816  -4.117
  153    HA   VAL  22           HA       VAL  22 -13.921   6.124  -2.467
  154    HB   VAL  22           HB       VAL  22 -15.013   3.302  -2.149
  155   HG11  VAL  22          HG11      VAL  22 -15.370   4.644  -0.112
  156   HG12  VAL  22          HG12      VAL  22 -16.013   5.986  -1.089
  157   HG13  VAL  22          HG13      VAL  22 -16.890   4.442  -0.977
  158   HG21  VAL  22          HG21      VAL  22 -16.168   5.678  -3.647
  159   HG22  VAL  22          HG22      VAL  22 -15.579   4.155  -4.355
  160   HG23  VAL  22          HG23      VAL  22 -17.002   4.143  -3.313
  161    H    CYS  23           H        CYS  23 -12.449   6.739  -0.991
  162    HA   CYS  23           HA       CYS  23 -11.150   4.829   0.819
  163    HB2  CYS  23           HB2      CYS  23  -9.989   6.762  -0.161
  164    HB3  CYS  23           HB3      CYS  23 -11.101   7.851   0.651
  165    H    ARG  24           H        ARG  24 -12.767   3.889   1.985
  166    HA   ARG  24           HA       ARG  24 -13.646   5.358   4.363
  167    HB2  ARG  24           HB2      ARG  24 -15.653   4.302   2.333
  168    HB3  ARG  24           HB3      ARG  24 -15.996   4.151   4.042
  169    HG2  ARG  24           HG2      ARG  24 -16.893   6.143   4.012
  170    HG3  ARG  24           HG3      ARG  24 -15.257   6.819   3.932
  171    HD2  ARG  24           HD2      ARG  24 -15.418   6.725   1.409
  172    HD3  ARG  24           HD3      ARG  24 -17.067   6.111   1.571
  173    HE   ARG  24           HE       ARG  24 -16.833   8.370   3.236
  174   HH11  ARG  24          HH11      ARG  24 -17.690   7.549  -0.047
  175   HH12  ARG  24          HH12      ARG  24 -18.089   9.219  -0.411
  176   HH21  ARG  24          HH21      ARG  24 -17.276  10.468   2.632
  177   HH22  ARG  24          HH22      ARG  24 -18.059  10.723   1.089
  178    H    LEU  25           H        LEU  25 -12.785   4.076   5.880
  179    HA   LEU  25           HA       LEU  25 -11.973   2.280   7.004
  180    HB2  LEU  25           HB2      LEU  25 -14.064   0.521   5.745
  181    HB3  LEU  25           HB3      LEU  25 -13.314   0.379   7.323
  182    HG   LEU  25           HG       LEU  25 -15.329   2.529   6.502
  183   HD11  LEU  25          HD11      LEU  25 -16.843   1.271   7.945
  184   HD12  LEU  25          HD12      LEU  25 -15.568   0.079   8.267
  185   HD13  LEU  25          HD13      LEU  25 -16.252   0.246   6.629
  186   HD21  LEU  25          HD21      LEU  25 -15.422   3.045   8.906
  187   HD22  LEU  25          HD22      LEU  25 -13.786   3.306   8.280
  188   HD23  LEU  25          HD23      LEU  25 -14.141   1.852   9.235
  189    H    TRP  26           H        TRP  26 -12.232   1.834   3.626
  190    HA   TRP  26           HA       TRP  26  -9.694   0.403   3.358
  191    HB2  TRP  26           HB2      TRP  26 -11.043  -1.140   1.670
  192    HB3  TRP  26           HB3      TRP  26 -10.929  -1.486   3.380
  193    HD1  TRP  26           HD1      TRP  26 -13.003  -2.212   4.513
  194    HE1  TRP  26           HE1      TRP  26 -15.525  -1.881   4.250
  195    HE3  TRP  26           HE3      TRP  26 -13.008   1.076   0.563
  196    HZ2  TRP  26           HZ2      TRP  26 -17.296  -0.335   2.633
  197    HZ3  TRP  26           HZ3      TRP  26 -15.108   2.119  -0.155
  198    HH2  TRP  26           HH2      TRP  26 -17.265   1.465   0.895
  199    H    CYS  27           H        CYS  27  -9.483   0.104   0.767
  200    HA   CYS  27           HA       CYS  27 -11.191   2.043  -0.614
  201    HB2  CYS  27           HB2      CYS  27  -8.273   1.741  -1.129
  202    HB3  CYS  27           HB3      CYS  27  -9.369   1.865  -2.509
  203    H    LYS  28           H        LYS  28 -12.296   1.212  -2.330
  204    HA   LYS  28           HA       LYS  28 -11.990  -1.689  -3.005
  205    HB2  LYS  28           HB2      LYS  28 -14.462  -0.262  -2.016
  206    HB3  LYS  28           HB3      LYS  28 -14.558  -1.750  -2.948
  207    HG2  LYS  28           HG2      LYS  28 -13.071  -1.517  -0.296
  208    HG3  LYS  28           HG3      LYS  28 -14.752  -2.018  -0.469
  209    HD2  LYS  28           HD2      LYS  28 -13.913  -3.893  -1.996
  210    HD3  LYS  28           HD3      LYS  28 -12.277  -3.478  -1.472
  211    HE2  LYS  28           HE2      LYS  28 -12.981  -3.804   0.910
  212    HE3  LYS  28           HE3      LYS  28 -14.616  -4.178   0.363
  213    HZ1  LYS  28           HZ1      LYS  28 -12.200  -5.824  -0.167
  214    HZ2  LYS  28           HZ2      LYS  28 -13.659  -6.090  -0.869
  215    HZ3  LYS  28           HZ3      LYS  28 -13.537  -6.208   0.741
  216    H    LYS  29           H        LYS  29 -12.166  -2.036  -5.176
  217    HA   LYS  29           HA       LYS  29 -11.998   0.103  -6.975
  218    HB2  LYS  29           HB2      LYS  29 -12.610  -2.812  -7.367
  219    HB3  LYS  29           HB3      LYS  29 -12.793  -1.697  -8.722
  220    HG2  LYS  29           HG2      LYS  29 -10.494  -1.015  -8.650
  221    HG3  LYS  29           HG3      LYS  29 -10.207  -1.913  -7.157
  222    HD2  LYS  29           HD2      LYS  29 -10.731  -4.032  -8.346
  223    HD3  LYS  29           HD3      LYS  29 -10.977  -3.136  -9.848
  224    HE2  LYS  29           HE2      LYS  29  -8.612  -2.445  -9.864
  225    HE3  LYS  29           HE3      LYS  29  -8.357  -3.181  -8.279
  226    HZ1  LYS  29           HZ1      LYS  29  -8.903  -5.347  -9.270
  227    HZ2  LYS  29           HZ2      LYS  29  -7.609  -4.693 -10.029
  228    HZ3  LYS  29           HZ3      LYS  29  -9.097  -4.679 -10.748
  229    H    LYS  30           H        LYS  30 -13.268   1.495  -7.813
  230    HA   LYS  30           HA       LYS  30 -16.048   1.006  -8.576
  231    HB2  LYS  30           HB2      LYS  30 -16.082   1.711  -6.107
  232    HB3  LYS  30           HB3      LYS  30 -15.455   3.270  -6.629
  233    HG2  LYS  30           HG2      LYS  30 -17.498   3.344  -8.249
  234    HG3  LYS  30           HG3      LYS  30 -18.110   1.949  -7.356
  235    HD2  LYS  30           HD2      LYS  30 -17.984   3.307  -5.246
  236    HD3  LYS  30           HD3      LYS  30 -17.448   4.696  -6.208
  237    HE2  LYS  30           HE2      LYS  30 -19.636   4.337  -7.576
  238    HE3  LYS  30           HE3      LYS  30 -20.134   3.282  -6.239
  239    HZ1  LYS  30           HZ1      LYS  30 -19.565   5.332  -4.786
  240    HZ2  LYS  30           HZ2      LYS  30 -20.938   5.438  -5.686
  241    HZ3  LYS  30           HZ3      LYS  30 -19.594   6.179  -6.198
  242    H    LEU  31           H        LEU  31 -14.544   1.164 -10.450
  243    HA   LEU  31           HA       LEU  31 -14.961   3.632 -11.775
  244    HB2  LEU  31           HB2      LEU  31 -12.345   3.371 -10.534
  245    HB3  LEU  31           HB3      LEU  31 -12.134   3.304 -12.273
  246    HG   LEU  31           HG       LEU  31 -13.678   5.496 -10.807
  247   HD11  LEU  31          HD11      LEU  31 -11.758   6.915 -11.201
  248   HD12  LEU  31          HD12      LEU  31 -10.885   5.592 -12.014
  249   HD13  LEU  31          HD13      LEU  31 -11.234   5.491 -10.280
  250   HD21  LEU  31          HD21      LEU  31 -13.417   6.719 -12.956
  251   HD22  LEU  31          HD22      LEU  31 -14.408   5.284 -13.144
  252   HD23  LEU  31          HD23      LEU  31 -12.709   5.264 -13.687
  253    H    LEU  32           H        LEU  32 -14.485   3.475 -14.040
  254    HA   LEU  32           HA       LEU  32 -14.241   0.636 -15.059
  255    HB2  LEU  32           HB2      LEU  32 -16.271   2.846 -15.805
  256    HB3  LEU  32           HB3      LEU  32 -16.025   1.326 -16.663
  257    HG   LEU  32           HG       LEU  32 -16.520   0.164 -14.354
  258   HD11  LEU  32          HD11      LEU  32 -18.344   1.428 -13.097
  259   HD12  LEU  32          HD12      LEU  32 -17.851   2.895 -13.960
  260   HD13  LEU  32          HD13      LEU  32 -16.747   2.093 -12.836
  261   HD21  LEU  32          HD21      LEU  32 -18.910   0.095 -14.964
  262   HD22  LEU  32          HD22      LEU  32 -17.936   0.075 -16.441
  263   HD23  LEU  32          HD23      LEU  32 -18.734   1.570 -15.928
  Start of MODEL   20
    1    H1   GLY   1           H1       GLY   1   5.082  -3.594  -2.707
    2    H2   GLY   1           H2       GLY   1   4.907  -4.568  -1.383
    3    H3   GLY   1           H3       GLY   1   5.260  -5.217  -2.861
    4    HA2  GLY   1           HA2      GLY   1   3.167  -4.462  -3.751
    5    HA3  GLY   1           HA3      GLY   1   2.974  -5.616  -2.422
    6    HA   PRO   2           HA       PRO   2   1.583  -1.191  -1.229
    7    HB2  PRO   2           HB2      PRO   2  -0.508  -0.320  -2.755
    8    HB3  PRO   2           HB3      PRO   2   1.209  -0.148  -3.222
    9    HG2  PRO   2           HG2      PRO   2  -0.744  -2.310  -4.085
   10    HG3  PRO   2           HG3      PRO   2   0.310  -1.299  -5.125
   11    HD2  PRO   2           HD2      PRO   2   1.053  -3.802  -4.331
   12    HD3  PRO   2           HD3      PRO   2   2.247  -2.476  -4.474
   13    H    TYR   3           H        TYR   3  -0.543  -3.872  -2.043
   14    HA   TYR   3           HA       TYR   3  -2.323  -4.766  -1.006
   15    HB2  TYR   3           HB2      TYR   3  -0.179  -4.542   1.043
   16    HB3  TYR   3           HB3      TYR   3  -1.674  -5.395   1.394
   17    HD1  TYR   3           HD1      TYR   3   1.538  -5.748  -0.131
   18    HD2  TYR   3           HD2      TYR   3  -2.535  -7.171  -0.252
   19    HE1  TYR   3           HE1      TYR   3   2.296  -7.864  -1.219
   20    HE2  TYR   3           HE2      TYR   3  -1.776  -9.261  -1.355
   21    HH   TYR   3           HH       TYR   3   1.649 -10.048  -1.604
   22    H    CYS   4           H        CYS   4  -3.363  -2.446  -1.438
   23    HA   CYS   4           HA       CYS   4  -4.913  -1.831   1.032
   24    HB2  CYS   4           HB2      CYS   4  -4.702   0.551   0.193
   25    HB3  CYS   4           HB3      CYS   4  -3.283  -0.187   0.889
   26    H    GLN   5           H        GLN   5  -5.295  -2.648  -2.202
   27    HA   GLN   5           HA       GLN   5  -8.099  -1.613  -2.330
   28    HB2  GLN   5           HB2      GLN   5  -6.743  -0.931  -4.156
   29    HB3  GLN   5           HB3      GLN   5  -6.037  -2.522  -4.364
   30    HG2  GLN   5           HG2      GLN   5  -8.935  -2.637  -4.691
   31    HG3  GLN   5           HG3      GLN   5  -8.268  -1.395  -5.720
   32   HE21  GLN   5          HE21      GLN   5  -6.110  -2.188  -6.994
   33   HE22  GLN   5          HE22      GLN   5  -6.208  -3.857  -7.548
   34    H    LYS   6           H        LYS   6  -6.168  -4.538  -2.912
   35    HA   LYS   6           HA       LYS   6  -8.496  -6.302  -2.704
   36    HB2  LYS   6           HB2      LYS   6  -6.186  -6.421  -4.149
   37    HB3  LYS   6           HB3      LYS   6  -5.754  -7.471  -2.794
   38    HG2  LYS   6           HG2      LYS   6  -7.778  -8.839  -3.190
   39    HG3  LYS   6           HG3      LYS   6  -8.319  -7.728  -4.448
   40    HD2  LYS   6           HD2      LYS   6  -5.890  -9.552  -4.532
   41    HD3  LYS   6           HD3      LYS   6  -7.368  -9.706  -5.473
   42    HE2  LYS   6           HE2      LYS   6  -5.243  -7.542  -5.739
   43    HE3  LYS   6           HE3      LYS   6  -5.591  -8.842  -6.874
   44    HZ1  LYS   6           HZ1      LYS   6  -6.582  -6.756  -7.589
   45    HZ2  LYS   6           HZ2      LYS   6  -7.479  -6.614  -6.255
   46    HZ3  LYS   6           HZ3      LYS   6  -7.736  -7.860  -7.329
   47    H    TRP   7           H        TRP   7  -6.896  -4.709  -0.357
   48    HA   TRP   7           HA       TRP   7  -7.434  -6.689   1.735
   49    HB2  TRP   7           HB2      TRP   7  -5.129  -7.182   0.862
   50    HB3  TRP   7           HB3      TRP   7  -4.652  -5.544   1.250
   51    HD1  TRP   7           HD1      TRP   7  -4.185  -5.003   3.818
   52    HE1  TRP   7           HE1      TRP   7  -3.842  -6.465   5.908
   53    HE3  TRP   7           HE3      TRP   7  -6.076  -9.410   2.030
   54    HZ2  TRP   7           HZ2      TRP   7  -4.248  -9.232   6.660
   55    HZ3  TRP   7           HZ3      TRP   7  -6.009 -11.465   3.428
   56    HH2  TRP   7           HH2      TRP   7  -5.117 -11.384   5.742
   57    H    MET   8           H        MET   8  -7.658  -5.623   3.794
   58    HA   MET   8           HA       MET   8  -8.818  -3.028   3.243
   59    HB2  MET   8           HB2      MET   8  -8.960  -4.793   5.697
   60    HB3  MET   8           HB3      MET   8  -9.905  -3.313   5.450
   61    HG2  MET   8           HG2      MET   8 -10.927  -4.295   3.422
   62    HG3  MET   8           HG3      MET   8  -9.939  -5.737   3.618
   63    HE1  MET   8           HE1      MET   8 -12.642  -7.897   4.694
   64    HE2  MET   8           HE2      MET   8 -12.254  -6.995   3.230
   65    HE3  MET   8           HE3      MET   8 -10.957  -7.758   4.177
   66    H    GLN   9           H        GLN   9  -7.260  -1.496   3.077
   67    HA   GLN   9           HA       GLN   9  -5.130  -1.130   4.879
   68    HB2  GLN   9           HB2      GLN   9  -4.659   0.904   3.680
   69    HB3  GLN   9           HB3      GLN   9  -5.061  -0.394   2.579
   70    HG2  GLN   9           HG2      GLN   9  -7.281   0.539   2.161
   71    HG3  GLN   9           HG3      GLN   9  -7.052   1.755   3.418
   72   HE21  GLN   9          HE21      GLN   9  -4.094   2.243   2.357
   73   HE22  GLN   9          HE22      GLN   9  -4.513   3.384   1.084
   74    H    THR  10           H        THR  10  -8.290  -0.254   5.810
   75    HA   THR  10           HA       THR  10  -9.174   1.285   7.233
   76    HB   THR  10           HB       THR  10  -6.449   1.702   8.476
   77    HG1  THR  10           HG1      THR  10  -7.973  -0.552   8.362
   78   HG21  THR  10          HG21      THR  10  -8.355   3.199   9.169
   79   HG22  THR  10          HG22      THR  10  -7.751   2.166  10.459
   80   HG23  THR  10          HG23      THR  10  -9.280   1.766   9.625
   81    H    CYS  11           H        CYS  11  -9.585   2.585   5.391
   82    HA   CYS  11           HA       CYS  11  -7.732   4.690   4.659
   83    HB2  CYS  11           HB2      CYS  11  -9.212   3.284   3.133
   84    HB3  CYS  11           HB3      CYS  11 -10.521   4.397   3.546
   85    H    ASP  12           H        ASP  12  -7.786   5.523   6.965
   86    HA   ASP  12           HA       ASP  12  -9.618   7.619   7.675
   87    HB2  ASP  12           HB2      ASP  12  -6.603   7.380   8.038
   88    HB3  ASP  12           HB3      ASP  12  -7.581   8.687   8.694
   89    H    SER  13           H        SER  13  -9.597   9.896   7.112
   90    HA   SER  13           HA       SER  13  -8.981  10.510   4.427
   91    HB2  SER  13           HB2      SER  13  -9.612  12.755   4.912
   92    HB3  SER  13           HB3      SER  13 -10.653  11.678   5.841
   93    HG   SER  13           HG       SER  13  -9.391  12.153   7.705
   94    H    GLU  14           H        GLU  14  -6.636  10.212   6.781
   95    HA   GLU  14           HA       GLU  14  -4.731  12.084   5.485
   96    HB2  GLU  14           HB2      GLU  14  -3.203  11.408   7.259
   97    HB3  GLU  14           HB3      GLU  14  -4.680  12.124   7.883
   98    HG2  GLU  14           HG2      GLU  14  -5.534   9.960   8.586
   99    HG3  GLU  14           HG3      GLU  14  -4.224   9.115   7.763
  100    H    ARG  15           H        ARG  15  -5.792   8.880   4.963
  101    HA   ARG  15           HA       ARG  15  -3.083   7.879   4.311
  102    HB2  ARG  15           HB2      ARG  15  -4.662   6.554   5.745
  103    HB3  ARG  15           HB3      ARG  15  -5.700   6.320   4.326
  104    HG2  ARG  15           HG2      ARG  15  -3.869   5.136   3.149
  105    HG3  ARG  15           HG3      ARG  15  -2.743   5.552   4.446
  106    HD2  ARG  15           HD2      ARG  15  -4.359   4.292   6.024
  107    HD3  ARG  15           HD3      ARG  15  -5.084   3.613   4.518
  108    HE   ARG  15           HE       ARG  15  -2.589   3.028   3.957
  109   HH11  ARG  15          HH11      ARG  15  -4.159   2.293   6.943
  110   HH12  ARG  15          HH12      ARG  15  -2.671   1.839   7.760
  111   HH21  ARG  15          HH21      ARG  15  -0.727   2.120   4.967
  112   HH22  ARG  15          HH22      ARG  15  -0.969   1.427   6.564
  113    H    LYS  16           H        LYS  16  -2.336   7.419   2.392
  114    HA   LYS  16           HA       LYS  16  -3.281   8.020  -0.164
  115    HB2  LYS  16           HB2      LYS  16  -1.772   6.171  -0.903
  116    HB3  LYS  16           HB3      LYS  16  -1.025   7.360   0.153
  117    HG2  LYS  16           HG2      LYS  16  -0.707   5.866   1.902
  118    HG3  LYS  16           HG3      LYS  16  -2.129   4.932   1.539
  119    HD2  LYS  16           HD2      LYS  16  -0.400   3.484   1.059
  120    HD3  LYS  16           HD3      LYS  16  -0.949   4.033  -0.526
  121    HE2  LYS  16           HE2      LYS  16   0.961   5.706  -0.528
  122    HE3  LYS  16           HE3      LYS  16   1.471   5.055   1.033
  123    HZ1  LYS  16           HZ1      LYS  16   2.733   3.786  -0.432
  124    HZ2  LYS  16           HZ2      LYS  16   1.636   3.815  -1.615
  125    HZ3  LYS  16           HZ3      LYS  16   1.381   2.812  -0.348
  126    H    CYS  17           H        CYS  17  -5.462   7.625  -0.648
  127    HA   CYS  17           HA       CYS  17  -6.712   5.055  -0.236
  128    HB2  CYS  17           HB2      CYS  17  -8.052   7.024  -0.498
  129    HB3  CYS  17           HB3      CYS  17  -7.375   7.349  -2.095
  130    H    CYS  18           H        CYS  18  -6.305   3.233  -1.217
  131    HA   CYS  18           HA       CYS  18  -4.052   2.814  -2.498
  132    HB2  CYS  18           HB2      CYS  18  -5.792   1.161  -1.550
  133    HB3  CYS  18           HB3      CYS  18  -6.407   1.037  -3.187
  134    H    GLU  19           H        GLU  19  -7.052   2.891  -4.426
  135    HA   GLU  19           HA       GLU  19  -5.483   3.463  -6.912
  136    HB2  GLU  19           HB2      GLU  19  -8.246   2.243  -6.779
  137    HB3  GLU  19           HB3      GLU  19  -7.196   2.370  -8.189
  138    HG2  GLU  19           HG2      GLU  19  -6.712   0.585  -5.774
  139    HG3  GLU  19           HG3      GLU  19  -7.482   0.095  -7.275
  140    H    GLY  20           H        GLY  20  -6.642   5.306  -4.751
  141    HA2  GLY  20           HA2      GLY  20  -7.570   7.372  -4.661
  142    HA3  GLY  20           HA3      GLY  20  -7.616   7.361  -6.427
  143    H    MET  21           H        MET  21  -9.504   4.839  -4.971
  144    HA   MET  21           HA       MET  21 -11.963   6.411  -5.523
  145    HB2  MET  21           HB2      MET  21 -12.924   4.416  -6.614
  146    HB3  MET  21           HB3      MET  21 -11.532   5.111  -7.437
  147    HG2  MET  21           HG2      MET  21 -10.096   3.322  -6.378
  148    HG3  MET  21           HG3      MET  21 -11.578   2.579  -5.780
  149    HE1  MET  21           HE1      MET  21  -9.162   3.076  -8.812
  150    HE2  MET  21           HE2      MET  21 -10.198   2.754 -10.207
  151    HE3  MET  21           HE3      MET  21 -10.421   4.241  -9.257
  152    H    VAL  22           H        VAL  22 -13.277   6.638  -3.996
  153    HA   VAL  22           HA       VAL  22 -14.539   6.398  -2.167
  154    HB   VAL  22           HB       VAL  22 -15.038   3.633  -3.249
  155   HG11  VAL  22          HG11      VAL  22 -16.183   4.059  -1.067
  156   HG12  VAL  22          HG12      VAL  22 -16.817   5.595  -1.700
  157   HG13  VAL  22          HG13      VAL  22 -17.325   4.029  -2.389
  158   HG21  VAL  22          HG21      VAL  22 -16.163   6.391  -3.975
  159   HG22  VAL  22          HG22      VAL  22 -15.171   5.368  -5.021
  160   HG23  VAL  22          HG23      VAL  22 -16.787   4.846  -4.569
  161    H    CYS  23           H        CYS  23 -12.625   6.710  -1.030
  162    HA   CYS  23           HA       CYS  23 -11.440   4.785   0.742
  163    HB2  CYS  23           HB2      CYS  23 -10.472   6.926  -0.041
  164    HB3  CYS  23           HB3      CYS  23 -11.721   7.805   0.822
  165    H    ARG  24           H        ARG  24 -13.236   3.627   1.536
  166    HA   ARG  24           HA       ARG  24 -14.404   4.800   4.024
  167    HB2  ARG  24           HB2      ARG  24 -16.002   3.444   1.831
  168    HB3  ARG  24           HB3      ARG  24 -16.466   3.324   3.522
  169    HG2  ARG  24           HG2      ARG  24 -17.706   5.139   2.983
  170    HG3  ARG  24           HG3      ARG  24 -16.239   5.960   3.557
  171    HD2  ARG  24           HD2      ARG  24 -15.477   5.967   1.081
  172    HD3  ARG  24           HD3      ARG  24 -17.083   5.341   0.696
  173    HE   ARG  24           HE       ARG  24 -18.043   7.342   1.827
  174   HH11  ARG  24          HH11      ARG  24 -14.600   7.776   1.479
  175   HH12  ARG  24          HH12      ARG  24 -14.793   9.447   0.978
  176   HH21  ARG  24          HH21      ARG  24 -18.185   9.427   1.129
  177   HH22  ARG  24          HH22      ARG  24 -16.725  10.387   0.920
  178    H    LEU  25           H        LEU  25 -12.948   3.857   5.227
  179    HA   LEU  25           HA       LEU  25 -11.631   2.399   6.269
  180    HB2  LEU  25           HB2      LEU  25 -13.666   0.234   5.738
  181    HB3  LEU  25           HB3      LEU  25 -12.459   0.292   7.017
  182    HG   LEU  25           HG       LEU  25 -14.889   2.132   6.746
  183   HD11  LEU  25          HD11      LEU  25 -15.623   1.000   8.812
  184   HD12  LEU  25          HD12      LEU  25 -14.208  -0.067   8.734
  185   HD13  LEU  25          HD13      LEU  25 -15.448  -0.134   7.460
  186   HD21  LEU  25          HD21      LEU  25 -12.798   2.011   8.970
  187   HD22  LEU  25          HD22      LEU  25 -14.293   2.977   8.981
  188   HD23  LEU  25          HD23      LEU  25 -13.022   3.356   7.828
  189    H    TRP  26           H        TRP  26 -12.401   1.529   3.005
  190    HA   TRP  26           HA       TRP  26  -9.590   0.891   2.503
  191    HB2  TRP  26           HB2      TRP  26 -10.459  -1.200   1.163
  192    HB3  TRP  26           HB3      TRP  26 -10.125  -1.280   2.869
  193    HD1  TRP  26           HD1      TRP  26 -11.953  -2.143   4.421
  194    HE1  TRP  26           HE1      TRP  26 -14.447  -2.714   4.238
  195    HE3  TRP  26           HE3      TRP  26 -12.980   0.063  -0.064
  196    HZ2  TRP  26           HZ2      TRP  26 -16.503  -2.590   2.221
  197    HZ3  TRP  26           HZ3      TRP  26 -15.233  -0.133  -1.082
  198    HH2  TRP  26           HH2      TRP  26 -16.973  -1.521   0.007
  199    H    CYS  27           H        CYS  27  -9.552   0.294  -0.091
  200    HA   CYS  27           HA       CYS  27 -11.456   2.062  -1.556
  201    HB2  CYS  27           HB2      CYS  27  -8.433   2.085  -1.828
  202    HB3  CYS  27           HB3      CYS  27  -9.568   2.833  -2.959
  203    H    LYS  28           H        LYS  28 -12.424  -0.123  -1.774
  204    HA   LYS  28           HA       LYS  28 -11.092  -2.364  -2.846
  205    HB2  LYS  28           HB2      LYS  28 -13.007  -2.602  -1.467
  206    HB3  LYS  28           HB3      LYS  28 -14.020  -1.643  -2.536
  207    HG2  LYS  28           HG2      LYS  28 -12.910  -4.119  -3.776
  208    HG3  LYS  28           HG3      LYS  28 -13.977  -4.375  -2.399
  209    HD2  LYS  28           HD2      LYS  28 -15.754  -3.030  -3.470
  210    HD3  LYS  28           HD3      LYS  28 -14.726  -2.774  -4.885
  211    HE2  LYS  28           HE2      LYS  28 -14.626  -5.218  -5.271
  212    HE3  LYS  28           HE3      LYS  28 -15.631  -5.495  -3.847
  213    HZ1  LYS  28           HZ1      LYS  28 -17.446  -4.299  -4.950
  214    HZ2  LYS  28           HZ2      LYS  28 -16.919  -5.500  -5.927
  215    HZ3  LYS  28           HZ3      LYS  28 -16.497  -3.961  -6.253
  216    H    LYS  29           H        LYS  29 -13.465  -0.393  -4.541
  217    HA   LYS  29           HA       LYS  29 -12.180   0.162  -6.878
  218    HB2  LYS  29           HB2      LYS  29 -13.272  -2.611  -7.044
  219    HB3  LYS  29           HB3      LYS  29 -13.872  -1.536  -8.293
  220    HG2  LYS  29           HG2      LYS  29 -11.517  -0.888  -8.884
  221    HG3  LYS  29           HG3      LYS  29 -10.935  -2.076  -7.719
  222    HD2  LYS  29           HD2      LYS  29 -10.855  -3.239  -9.751
  223    HD3  LYS  29           HD3      LYS  29 -12.358  -3.804  -9.016
  224    HE2  LYS  29           HE2      LYS  29 -13.538  -1.960 -10.393
  225    HE3  LYS  29           HE3      LYS  29 -11.991  -1.737 -11.225
  226    HZ1  LYS  29           HZ1      LYS  29 -13.256  -3.279 -12.502
  227    HZ2  LYS  29           HZ2      LYS  29 -13.650  -4.190 -11.173
  228    HZ3  LYS  29           HZ3      LYS  29 -12.098  -4.148 -11.764
  229    H    LYS  30           H        LYS  30 -13.424   1.719  -7.860
  230    HA   LYS  30           HA       LYS  30 -16.276   1.465  -8.178
  231    HB2  LYS  30           HB2      LYS  30 -15.700   2.430  -5.707
  232    HB3  LYS  30           HB3      LYS  30 -15.707   3.934  -6.594
  233    HG2  LYS  30           HG2      LYS  30 -17.992   1.888  -6.635
  234    HG3  LYS  30           HG3      LYS  30 -17.885   3.200  -5.479
  235    HD2  LYS  30           HD2      LYS  30 -17.727   4.758  -7.575
  236    HD3  LYS  30           HD3      LYS  30 -18.383   3.368  -8.455
  237    HE2  LYS  30           HE2      LYS  30 -19.620   4.976  -6.184
  238    HE3  LYS  30           HE3      LYS  30 -20.139   4.906  -7.867
  239    HZ1  LYS  30           HZ1      LYS  30 -21.576   3.587  -6.563
  240    HZ2  LYS  30           HZ2      LYS  30 -20.381   2.762  -5.842
  241    HZ3  LYS  30           HZ3      LYS  30 -20.714   2.512  -7.453
  242    H    LEU  31           H        LEU  31 -14.068   1.791  -9.972
  243    HA   LEU  31           HA       LEU  31 -15.111   4.059 -11.456
  244    HB2  LEU  31           HB2      LEU  31 -13.337   5.158 -10.213
  245    HB3  LEU  31           HB3      LEU  31 -12.179   3.946 -10.771
  246    HG   LEU  31           HG       LEU  31 -12.335   4.714 -13.059
  247   HD11  LEU  31          HD11      LEU  31 -14.674   5.456 -13.251
  248   HD12  LEU  31          HD12      LEU  31 -13.608   6.803 -13.610
  249   HD13  LEU  31          HD13      LEU  31 -14.402   6.716 -12.025
  250   HD21  LEU  31          HD21      LEU  31 -11.358   6.913 -12.800
  251   HD22  LEU  31          HD22      LEU  31 -10.832   5.908 -11.442
  252   HD23  LEU  31          HD23      LEU  31 -12.117   7.124 -11.218
  253    H    LEU  32           H        LEU  32 -15.542   3.443 -13.333
  254    HA   LEU  32           HA       LEU  32 -14.197   1.090 -14.622
  255    HB2  LEU  32           HB2      LEU  32 -17.058   2.220 -14.613
  256    HB3  LEU  32           HB3      LEU  32 -16.564   0.821 -15.557
  257    HG   LEU  32           HG       LEU  32 -16.444   1.003 -12.501
  258   HD11  LEU  32          HD11      LEU  32 -18.282  -0.589 -14.330
  259   HD12  LEU  32          HD12      LEU  32 -18.733   0.893 -13.458
  260   HD13  LEU  32          HD13      LEU  32 -18.310  -0.569 -12.556
  261   HD21  LEU  32          HD21      LEU  32 -16.078  -1.515 -12.705
  262   HD22  LEU  32          HD22      LEU  32 -14.700  -0.535 -13.194
  263   HD23  LEU  32          HD23      LEU  32 -15.756  -1.268 -14.423