*HEADER   NEUROTOXIN                              21-JUN-98   1CN2    
*TITLE    SOLUTION STRUCTURE OF TOXIN 2 FROM CENTRUROIDES NOXIUS      
*TITLE   2 HOFFMANN, A BETA SCORPION NEUROTOXIN ACTING ON SODIUM      
*TITLE   3 CHANNELS, NMR, 15 STRUCTURES                               
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: TOXIN 2;                                         
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 SYNONYM: CN2                                               
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: CENTRUROIDES NOXIUS HOFFMANN;         
*SOURCE  3 ORGANISM_COMMON: MEXICAN SCORPION;                         
*SOURCE  4 SECRETION: VENOM                                           
*KEYWDS   NEUROTOXIN, SCORPION TOXIN, CENTRUROIDES NOXIUS, SODIUM     
*KEYWDS  2 CHANNELS                                                   
*EXPDTA   NMR, 15 STRUCTURES                                          
*AUTHOR   A.PINTAR,L.D.POSSANI,M.DELEPIERRE                           
*REVDAT  1   13-JAN-99 1CN2    0                                      
 
#file includes upper limits constraints,distance constraints for 
#disulfide bridges and dihedral angle constraints in DYANA format; 
#no constraints for hydrogen bonds;
#no stereospecific assignments.
#
#distance constraints, upper limits, output from CALIBA
  1 LYS+ 
         HA      1 LYS+ HB2     3.92  
         HA      1 LYS+ HB3     4.51  
         HA      1 LYS+ QG      6.38  
         HA      1 LYS+ QD      6.38  
         HA      2 GLU- HN      3.00  
         HB2    53 GLU- HA      3.45  
         HB2    55 ALA  HN      5.00  
         HB3     2 GLU- HN      4.50  
         HB3    51 LEU  QD2     6.53  
         HB3    53 GLU- HA      3.89  
         HB3    55 ALA  HN      5.00  
         QG      2 GLU- HN      5.60  
         QG     53 GLU- HA      6.38  
         QD     53 GLU- HA      4.86  
         QD     55 ALA  HN      5.79  
  2 GLU- 
         HN      2 GLU- HA      2.93  
         HN      2 GLU- HB2     5.00  
         HN      2 GLU- HB3     3.45  
         HN      2 GLU- HG2     4.97  
         HN      2 GLU- HG3     4.94  
         HA      2 GLU- HB2     3.18  
         HA      2 GLU- HG3     3.86  
         HA      3 GLY  HN      2.62  
         HA     47 TRP  HE1     5.38  
         HA     51 LEU  HN      4.50  
         HA     51 LEU  QD2     4.64  
         HB2     3 GLY  HN      3.30  
         HB2    47 TRP  HD1     5.44  
         HB2    47 TRP  HE1     3.49  
         HB2    47 TRP  HZ2     3.83  
         HB2    49 THR  HA      3.89  
         HB2    50 HIS  HN      5.50  
         HB3    47 TRP  HD1     5.38  
         HB3    47 TRP  HE1     4.11  
         HB3    47 TRP  HZ2     3.27  
         HG2    47 TRP  HE1     5.41  
         HG2    47 TRP  HZ2     4.11  
         HG2    49 THR  HA      4.23  
         HG2    50 HIS  HN      5.50  
         HG3     3 GLY  HN      4.32  
         HG3    47 TRP  HE1     5.50  
         HG3    49 THR  HA      3.36  
         HG3    50 HIS  HN      4.48  
  3 GLY  
         HN      3 GLY  HA1     2.74  
         HN      3 GLY  HA2     3.11  
         HN     48 CYSS HN      3.49  
         HN     48 CYSS HB3     3.92  
         HN     49 THR  HA      4.00  
         HN     51 LEU  QD2     4.42  
         HN     57 VAL  QG1     5.38  
         HN     57 VAL  QG2     5.16  
         HA1     3 GLY  HA2     2.93  
         HA1     4 TYR  HN      3.30  
         HA1    47 TRP  HE3     5.50  
         HA1    57 VAL  HB      4.85  
         HA1    57 VAL  QG1     5.13  
         HA1    57 VAL  QG2     5.23  
         HA2     4 TYR  HN      3.24  
         HA2     4 TYR  QD      7.64  
         HA2    47 TRP  HE3     4.88  
         HA2    47 TRP  HH2     4.04  
         HA2    57 VAL  QG1     5.19  
         HA2    57 VAL  QG2     5.38  
  4 TYR  
         HN      4 TYR  HA      3.45  
         HN      4 TYR  HB2     3.52  
         HN      4 TYR  HB3     3.14  
         HN      4 TYR  QD      7.02  
         HN     47 TRP  HB2     4.82  
         HN     47 TRP  HE3     5.28  
         HN     47 TRP  HZ3     5.28  
         HN     57 VAL  HB      4.63  
         HN     57 VAL  QG1     6.28  
         HN     57 VAL  QG2     6.43  
         HN     58 TRP  HN      3.95  
         HA      4 TYR  HB3     3.55  
         HA      4 TYR  QD      6.28  
         HA      4 TYR  QE      7.63  
         HA      5 LEU  HN      2.59  
         HA     47 TRP  HA      3.45  
         HA     47 TRP  HE3     4.76  
         HA     48 CYSS HN      3.49  
         HB2     4 TYR  QD      6.12  
         HB2     5 LEU  HN      3.42  
         HB2    47 TRP  HE3     5.50  
         HB2    58 TRP  HN      4.76  
         HB3     4 TYR  QD      6.15  
         QD      4 TYR  QE      7.23  
         QD      5 LEU  HN      7.08  
         QD     45 ALA  QB      7.21  
         QD     46 CYSS HN      7.64  
         QD     47 TRP  HA      7.64  
         QD     47 TRP  HB2     7.64  
         QD     47 TRP  HE3     6.49  
         QD     47 TRP  HZ3     6.62  
         QD     57 VAL  QG1     8.67  
         QD     58 TRP  HB3     7.36  
         QE     42 TYR  HN      7.63  
         QE     42 TYR  HB2     7.38  
         QE     45 ALA  HN      7.14  
         QE     45 ALA  QB      6.77  
         QE     47 TRP  HB2     7.63  
         QE     47 TRP  HB3     7.63  
         QE     47 TRP  HE3     6.49  
         QE     47 TRP  HZ3     6.61  
         QE     58 TRP  HB2     7.42  
  5 LEU  
         HN      5 LEU  HA      2.80  
         HN      5 LEU  HB2     2.90  
         HN      5 LEU  HB3     3.50  
         HN      5 LEU  HG      5.25  
         HN      5 LEU  QD1     6.28  
         HN      5 LEU  QD2     6.53  
         HA      5 LEU  QD1     4.39  
         HA      6 VAL  HN      3.33  
         HB2     5 LEU  QD1     4.79  
         HB2     5 LEU  QD2     4.64  
         HB2    33 TYR  QE      6.64  
         HB3     5 LEU  QD1     4.30  
         HB3     5 LEU  QD2     4.14  
         HB3    33 TYR  QD      7.52  
         HB3    33 TYR  QE      6.61  
         HG      5 LEU  QD1     4.30  
         HG      5 LEU  QD2     4.11  
         HG      6 VAL  HN      4.48  
         HG      6 VAL  HA      5.50  
         HG     14 TYR  QD      6.52  
         HG     14 TYR  QE      6.83  
         HG     33 TYR  QE      6.80  
         QD1     5 LEU  QD2     5.70  
         QD1     6 VAL  HN      4.70  
         QD1     6 VAL  HA      6.28  
         QD1    14 TYR  QB      7.34  
         QD1    14 TYR  QD      8.54  
         QD1    14 TYR  QE      8.66  
         QD1    29 CYSS HN      6.19  
         QD1    29 CYSS HA      4.64  
         QD1    33 TYR  QD      7.89  
         QD1    33 TYR  QE      6.52  
         QD2     6 VAL  HN      5.75  
         QD2    14 TYR  QB      6.04  
         QD2    14 TYR  QD      7.68  
         QD2    14 TYR  QE      8.04  
         QD2    25 CYSS HA      6.12  
         QD2    28 GLU- HA      5.63  
         QD2    29 CYSS HN      5.60  
         QD2    29 CYSS HA      5.35  
         QD2    46 CYSS HB2     5.13  
         QD2    46 CYSS HB3     5.38  
  6 VAL  
         HN      6 VAL  HA      3.52  
         HN      6 VAL  HB      3.89  
         HN      6 VAL  QG1     6.53  
         HN      6 VAL  QG2     4.42  
         HA      6 VAL  HB      2.77  
         HA      6 VAL  QG1     3.68  
         HA      6 VAL  QG2     4.45  
         HA      7 ASP- HN      2.62  
         HA      7 ASP- HB3     4.32  
         HA     14 TYR  QD      7.33  
         HA     14 TYR  QE      7.45  
         HA     58 TRP  HA      4.00  
         HA     58 TRP  HB3     5.10  
         HA     58 TRP  HD1     4.17  
         HA     60 LEU  QD1     6.19  
         HA     60 LEU  QD2     6.03  
         HB      6 VAL  QG1     3.64  
         HB      6 VAL  QG2     4.14  
         HB      7 ASP- HN      3.89  
         HB     58 TRP  HN      4.14  
         HB     58 TRP  HB3     4.17  
         HB     58 TRP  HD1     3.73  
         QG1     7 ASP- HN      4.51  
         QG1    11 GLY  HN      5.23  
         QG1    11 GLY  HA1     5.54  
         QG1    11 GLY  HA2     4.92  
         QG1    12 CYSS HN      6.00  
         QG1    12 CYSS HA      6.12  
         QG1    56 ILE  HN      6.47  
         QG1    57 VAL  HA      5.63  
         QG1    58 TRP  HB2     5.10  
         QG1    58 TRP  HD1     3.74  
         QG1    58 TRP  HE1     6.40  
         QG1    60 LEU  HN      5.81  
         QG2     7 ASP- HN      6.00  
         QG2    11 GLY  HA2     6.53  
         QG2    57 VAL  HN      5.94  
         QG2    57 VAL  HA      4.02  
         QG2    58 TRP  HA      4.95  
         QG2    60 LEU  HA      5.35  
  7 ASP- 
         HN      7 ASP- HA      3.55  
         HN      7 ASP- HB2     3.11  
         HN      7 ASP- HB3     3.21  
         HN     12 CYSS HN      3.80  
         HN     14 TYR  QE      7.63  
         HA      7 ASP- HB3     3.21  
         HA      8 LYS+ HN      2.49  
         HA      9 ASN  HN      3.80  
         HA     14 TYR  QE      6.83  
         HB2     8 LYS+ HN      4.17  
         HB2    10 THR  HN      3.86  
         HB2    11 GLY  HN      3.67  
         HB2    12 CYSS HN      4.01  
         HB3     8 LYS+ HN      4.07  
         HB3    12 CYSS HN      4.91  
         HB3    14 TYR  QE      6.98  
  8 LYS+ 
         HN      8 LYS+ HA      3.02  
         HN      8 LYS+ HB2     3.14  
         HN      8 LYS+ HB3     3.08  
         HN      8 LYS+ HG2     3.98  
         HN      8 LYS+ HG3     4.48  
         HN      8 LYS+ QD      6.38  
         HN      9 ASN  HN      3.02  
         HN     60 LEU  QD1     6.53  
         HA      9 ASN  HN      3.86  
         HA     11 GLY  HN      4.20  
         HA     60 LEU  QD1     3.92  
         HA     60 LEU  QD2     4.51  
         HB2     9 ASN  HN      3.92  
         HB3     9 ASN  HN      3.92  
  9 ASN  
         HN      9 ASN  HA      3.24  
         HN      9 ASN  HB2     3.05  
         HN      9 ASN  HB3     3.42  
         HN     10 THR  HN      2.83  
         HN     10 THR  QG2     5.88  
         HB2    10 THR  HN      3.61  
         HB2    11 GLY  HN      4.04  
         HB3    10 THR  HN      3.76  
         HB3    11 GLY  HN      4.23  
 10 THR  
         HN     10 THR  HA      3.30  
         HN     10 THR  HB      3.60  
         HN     10 THR  QG2     4.39  
         HN     11 GLY  HN      2.83  
         HN     12 CYSS HN      3.89  
         HA     10 THR  HB      2.59  
         HA     10 THR  QG2     3.43  
         HA     11 GLY  HN      3.86  
         HB     12 CYSS HN      3.30  
         QG2    11 GLY  HN      5.97  
         QG2    12 CYSS HN      6.25  
 11 GLY  
         HN     11 GLY  HA1     3.33  
         HN     11 GLY  HA2     3.02  
         HN     12 CYSS HN      3.05  
         HN     60 LEU  QD1     5.13  
         HN     60 LEU  QD2     6.12  
         HN     65 CYSS HB2     5.50  
         HA1    11 GLY  HA2     2.80  
         HA1    58 TRP  HD1     5.28  
         HA1    60 LEU  HG      5.19  
         HA1    60 LEU  QD1     5.19  
         HA2    60 LEU  HG      4.85  
         HA2    60 LEU  QD1     4.92  
         HA2    60 LEU  QD2     6.22  
 12 CYSS 
         HN     12 CYSS HA      3.42  
         HN     12 CYSS HB2     3.30  
         HN     12 CYSS HB3     3.18  
         HA     12 CYSS HB2     3.21  
         HA     12 CYSS HB3     3.42  
         HA     58 TRP  HD1     4.57  
         HA     58 TRP  HE1     5.22  
         HA     65 CYSS HN      4.11  
         HA     65 CYSS HB2     3.67  
         HA     65 CYSS HB3     3.27  
         HB2    12 CYSS HB3     2.90  
 14 TYR  
         HN     14 TYR  HA      3.05  
         HN     14 TYR  QB      4.36  
         HN     14 TYR  QD      7.33  
         HN     45 ALA  QB      6.09  
         QB     14 TYR  QD      7.24  
         QB     14 TYR  QE      8.51  
         QD     14 TYR  QE      6.95  
 16 CYSS 
         HN     16 CYSS HA      3.27  
         HN     16 CYSS HB2     3.42  
         HN     16 CYSS HB3     4.01  
         HN     44 PHE  HA      3.58  
         HN     45 ALA  HA      3.11  
         HN     45 ALA  QB      5.72  
         HA     16 CYSS HB3     3.45  
         HA     17 LEU  HN      3.64  
 17 LEU  
         HN     17 LEU  HA      2.96  
         HN     17 LEU  QB      4.83  
         HN     17 LEU  HG      3.55  
         HN     17 LEU  QD1     5.88  
         HN     17 LEU  QD2     4.95  
 19 LEU  
         HN     19 LEU  HA      3.21  
         HN     19 LEU  HB2     2.93  
         HN     19 LEU  HB3     3.50  
         HN     19 LEU  HG      3.18  
         HN     19 LEU  QD1     5.47  
         HN     19 LEU  QD2     5.75  
         HA     19 LEU  QD2     4.02  
         HA     20 GLY  HN      2.71  
         HA     41 CYSS HN      5.00  
         HA     44 PHE  QD      5.85  
         HA     44 PHE  QE      7.34  
         HB2    20 GLY  HN      3.92  
         HB3    19 LEU  QD2     4.51  
         HB3    20 GLY  HN      3.76  
         HB3    43 ALA  HN      4.73  
         HG     19 LEU  QD2     4.51  
         HG     20 GLY  HN      5.50  
         HG     44 PHE  QD      7.19  
         HG     44 PHE  QE      7.19  
         QD1    42 TYR  HA      6.53  
         QD1    43 ALA  HN      5.85  
         QD1    43 ALA  HA      5.54  
         QD1    44 PHE  QD      7.13  
         QD1    44 PHE  QE      7.53  
         QD2    20 GLY  HN      5.54  
         QD2    42 TYR  HA      6.09  
         QD2    43 ALA  HN      4.51  
         QD2    43 ALA  HA      4.82  
         QD2    43 ALA  QB      7.56  
         QD2    44 PHE  HN      5.54  
         QD2    44 PHE  QD      7.60  
         QD2    44 PHE  QE      8.43  
 20 GLY  
         HN     20 GLY  HA1     3.42  
         HN     20 GLY  HA2     2.74  
         HN     21 ASP- HN      3.95  
         HN     40 TYR  QD      6.96  
         HN     41 CYSS HN      3.80  
         HN     41 CYSS HB2     4.29  
         HA1    21 ASP- HN      2.93  
         HA2    21 ASP- HN      3.50  
 21 ASP- 
         HN     21 ASP- HA      3.18  
         HN     21 ASP- HB2     3.52  
         HN     21 ASP- HB3     3.11  
         HA     22 ASN  HN      2.74  
         HB2    22 ASN  HN      3.89  
         HB3    41 CYSS HN      5.19  
 22 ASN  
         HN     22 ASN  HA      3.24  
         HN     22 ASN  HB2     3.45  
         HN     22 ASN  HB3     3.61  
         HN     41 CYSS HN      3.98  
         HA     22 ASN  HB2     3.05  
         HA     22 ASN  HB3     3.21  
         HA     23 ASP- HN      2.77  
         HA     23 ASP- QB      5.23  
         HA     25 CYSS HN      3.76  
         HB3    23 ASP- HN      4.14  
         HB3    25 CYSS HN      4.50  
         HB3    26 LEU  HN      4.11  
         HB3    41 CYSS HN      4.97  
 23 ASP- 
         HN     23 ASP- HA      3.27  
         HN     23 ASP- QB      4.18  
         HN     24 TYR  HN      3.42  
         HA     26 LEU  HN      3.50  
         QB     24 TYR  HN      4.42  
 24 TYR  
         HN     24 TYR  HA      3.21  
         HN     24 TYR  HB2     2.87  
         HN     24 TYR  HB3     3.30  
         HN     24 TYR  QD      7.17  
         HN     25 CYSS HN      2.90  
         HA     24 TYR  HB2     3.08  
         HA     24 TYR  HB3     3.33  
         HA     24 TYR  QD      6.31  
         HA     25 CYSS HN      3.98  
         HA     27 ARG+ HB2     3.64  
         HA     27 ARG+ HB3     3.64  
         HA     27 ARG+ HG3     4.07  
         HB2    24 TYR  QD      5.87  
         HB3    24 TYR  QD      5.87  
         HB3    25 CYSS HN      3.30  
         QD     24 TYR  QE      6.95  
         QD     25 CYSS HN      7.02  
 25 CYSS 
         HN     25 CYSS HA      2.71  
         HN     25 CYSS HB2     3.21  
         HN     25 CYSS HB3     3.45  
         HA     25 CYSS HB2     3.58  
         HA     25 CYSS HB3     3.27  
         HA     26 LEU  HN      3.86  
         HA     28 GLU- HN      3.83  
         HA     28 GLU- HB2     3.55  
         HA     29 CYSS HN      3.92  
         HA     46 CYSS HB2     4.73  
         HB2    26 LEU  HN      3.36  
         HB2    40 TYR  HN      5.50  
         HB2    40 TYR  HA      4.23  
         HB3    26 LEU  HN      3.55  
         HB3    40 TYR  HN      4.66  
         HB3    40 TYR  HA      4.14  
 26 LEU  
         HN     26 LEU  HA      2.96  
         HN     26 LEU  HB2     3.00  
         HN     26 LEU  HB3     3.20  
         HN     26 LEU  HG      3.64  
         HN     26 LEU  QD1     5.41  
         HN     26 LEU  QD2     5.41  
         HN     27 ARG+ HN      2.99  
         HA     27 ARG+ HN      3.98  
         HA     29 CYSS HN      3.67  
         HA     30 LYS+ HN      4.20  
         HA     39 GLY  HN      3.67  
         HB2    27 ARG+ HN      3.67  
         HB3    27 ARG+ HN      3.11  
         QD1    39 GLY  HN      5.91  
         QD2    39 GLY  HN      3.95  
         QD2    39 GLY  HA1     6.22  
 27 ARG+ 
         HN     27 ARG+ HA      3.18  
         HN     27 ARG+ HB2     3.30  
         HN     27 ARG+ HB3     3.14  
         HN     27 ARG+ HG2     3.61  
         HN     27 ARG+ HG3     4.66  
         HN     28 GLU- HN      3.02  
         HA     30 LYS+ HN      3.50  
         HB2    28 GLU- HN      3.64  
         HG3    28 GLU- HN      5.22  
 28 GLU- 
         HN     28 GLU- HA      3.18  
         HN     28 GLU- HB2     3.14  
         HN     28 GLU- HB3     3.33  
         HN     28 GLU- QG      5.04  
         HN     29 CYSS HN      3.11  
         HN     30 LYS+ HN      4.17  
         HA     29 CYSS HN      3.67  
         HA     31 GLN  HN      3.27  
         HB2    29 CYSS HN      3.42  
         HB3    29 CYSS HN      3.42  
 29 CYSS 
         HN     29 CYSS HA      3.11  
         HN     29 CYSS HB2     3.18  
         HN     29 CYSS HB3     2.96  
         HN     30 LYS+ HN      2.99  
         HA     30 LYS+ HN      3.67  
         HA     32 GLN  HN      4.07  
         HA     33 TYR  QD      4.50  
         HB2    30 LYS+ HN      3.49  
         HB2    38 GLY  HN      6.00  
         HB2    48 CYSS HA      5.47  
         HB3    30 LYS+ HN      3.21  
 30 LYS+ 
         HN     30 LYS+ HA      2.99  
         HN     30 LYS+ HB2     2.87  
         HN     30 LYS+ HB3     2.83  
         HN     30 LYS+ QG      4.70  
         HN     31 GLN  HN      2.99  
         HN     32 GLN  HN      4.14  
         HA     30 LYS+ QG      6.38  
         HA     31 GLN  HN      3.58  
         HB2    31 GLN  HN      3.45  
         HB3    31 GLN  HN      3.42  
         QG     31 GLN  HN      5.97  
 31 GLN  
         HN     31 GLN  HA      3.00  
         HN     31 GLN  QB      4.14  
         HN     31 GLN  QG      6.38  
         HN     32 GLN  HN      3.08  
         HA     32 GLN  HN      2.74  
         HA     33 TYR  HN      4.50  
         QB     32 GLN  HN      4.80  
         QB     34 GLY  HN      6.00  
         QG     34 GLY  HN      6.38  
 32 GLN  
         HN     32 GLN  HA      3.21  
         HN     32 GLN  HB2     4.00  
         HN     32 GLN  HB3     3.50  
         HN     32 GLN  QG      6.38  
         HN     33 TYR  HN      3.18  
         HN     34 GLY  HN      4.11  
         HA     33 TYR  HN      4.07  
         HB2    33 TYR  HN      4.50  
         HB2    33 TYR  QD      7.42  
         HB2    33 TYR  QE      7.60  
         HB3    33 TYR  HN      3.80  
 33 TYR  
         HN     33 TYR  HA      3.42  
         HN     33 TYR  HB2     3.39  
         HN     33 TYR  HB3     3.86  
         HN     33 TYR  QD      7.39  
         HN     34 GLY  HN      3.05  
         HA     33 TYR  HB2     3.30  
         HA     33 TYR  HB3     3.11  
         HA     33 TYR  QD      5.72  
         HA     34 GLY  HN      3.70  
         HB2    33 TYR  HB3     2.99  
         HB2    33 TYR  QD      5.78  
         HB2    33 TYR  QE      7.17  
         HB2    51 LEU  QD1     4.64  
         HB2    51 LEU  QD2     6.31  
         HB3    33 TYR  QD      5.69  
         HB3    33 TYR  QE      7.11  
         HB3    51 LEU  QD1     4.51  
         HB3    51 LEU  QD2     5.91  
         QD     33 TYR  QE      7.01  
         QD     48 CYSS HB2     7.14  
         QD     48 CYSS HB3     7.36  
         QD     51 LEU  QD1     6.96  
         QD     51 LEU  QD2     7.99  
         QD     52 TYR  QE      9.77  
         QD     55 ALA  HA      7.64  
         QD     55 ALA  QB      6.96  
         QD     57 VAL  QG2     8.67  
         QE     48 CYSS HB3     7.14  
         QE     51 LEU  QD2     7.95  
         QE     54 GLN  HA      6.76  
         QE     55 ALA  HA      7.45  
         QE     55 ALA  QB      6.77  
         QE     57 VAL  QG2     7.85  
 34 GLY  
         HN     34 GLY  HA1     3.21  
         HN     34 GLY  HA2     2.93  
         HN     35 LYS+ HN      3.80  
         HA1    35 LYS+ HN      3.00  
         HA2    35 LYS+ HN      3.50  
 35 LYS+ 
         HN     35 LYS+ HA      3.00  
         HN     35 LYS+ QB      3.80  
         HN     35 LYS+ QG      4.83  
         HN     36 GLY  HN      3.50  
         HA     36 GLY  HN      3.21  
         HA     37 ALA  HN      5.00  
         QB     36 GLY  HN      4.76  
         QG     36 GLY  HN      6.28  
 36 GLY  
         HN     36 GLY  HA1     3.02  
         HN     36 GLY  HA2     2.77  
         HN     37 ALA  HN      2.83  
         HN     37 ALA  QB      6.34  
         HA1    36 GLY  HA2     2.74  
         HA1    37 ALA  HN      3.83  
         HA2    37 ALA  HN      3.64  
 37 ALA  
         HN     37 ALA  HA      3.27  
         HN     37 ALA  QB      3.71  
         HN     38 GLY  HN      4.50  
          HA     37 ALA  QB      3.95  
         HA     38 GLY  HN      2.96  
         HA     50 HIS  HB2     3.70  
         HA     50 HIS  HB3     3.70  
         QB     38 GLY  HN      4.73  
         QB     38 GLY  HA1     4.23  
         QB     51 LEU  HA      6.50  
         QB     51 LEU  QD1     5.88  
         QB     51 LEU  QD2     7.56  
 38 GLY  
         HN     38 GLY  HA1     3.14  
         HN     38 GLY  HA2     3.08  
         HN     49 THR  HN      3.30  
         HN     50 HIS  HD2     4.32  
         HN     51 LEU  QD1     6.53  
         HA1    38 GLY  HA2     3.02  
         HA1    39 GLY  HN      2.87  
         HA2    39 GLY  HN      2.90  
 39 GLY  
         HN     39 GLY  HA1     3.30  
         HN     39 GLY  HA2     2.93  
         HN     40 TYR  HN      5.00  
         HN     48 CYSS HA      4.29  
         HN     49 THR  QG2     4.02  
         HA1    39 GLY  HA2     4.35  
         HA1    40 TYR  HN      2.80  
         HA1    48 CYSS HA      3.89  
         HA1    49 THR  HN      3.67  
         HA2    40 TYR  HN      3.08  
         HA2    48 CYSS HA      4.07  
         HA2    49 THR  HN      3.55  
 40 TYR  
         HN     40 TYR  HA      2.87  
         HN     40 TYR  HB2     3.73  
         HN     40 TYR  HB3     3.83  
         HN     40 TYR  QD      7.08  
         HN     46 CYSS HA      4.17  
         HN     47 TRP  HN      3.42  
         HN     47 TRP  HB3     4.88  
         HN     47 TRP  HD1     5.13  
         HN     48 CYSS HA      3.67  
         HA     40 TYR  HB2     3.05  
         HA     40 TYR  HB3     3.08  
         HA     40 TYR  QD      7.61  
         HA     41 CYSS HN      2.99  
         HB2    41 CYSS HN      3.30  
         HB3    40 TYR  QD      6.12  
         HB3    41 CYSS HN      3.02  
         QD     40 TYR  QE      6.92  
         QD     41 CYSS HN      7.24  
         QD     41 CYSS HA      7.64  
         QD     42 TYR  HB3     6.93  
         QD     47 TRP  HD1     6.68  
         QD     49 THR  QG2     7.37  
         QE     42 TYR  HA      7.63  
         QE     42 TYR  HB3     6.49  
         QE     42 TYR  QD      9.77  
         QE     47 TRP  HD1     5.93  
         QE     47 TRP  HE1     7.63  
         QE     49 THR  QG2     6.49  
 41 CYSS 
         HN     41 CYSS HA      3.55  
         HN     41 CYSS HB2     3.39  
         HN     41 CYSS HB3     3.24  
         HN     42 TYR  HN      4.01  
         HA     41 CYSS HB2     3.61  
         HA     41 CYSS HB3     3.24  
         HA     42 TYR  HN      2.87  
         HA     45 ALA  HN      4.17  
         HA     45 ALA  QB      6.53  
         HA     46 CYSS HA      3.21  
         HA     46 CYSS HB2     5.19  
         HA     46 CYSS HB3     5.35  
         HA     47 TRP  HN      3.58  
         HB3    42 TYR  HN      3.92  
 42 TYR  
         HN     42 TYR  HA      3.76  
         HN     42 TYR  HB2     3.55  
         HN     42 TYR  HB3     3.70  
         HN     45 ALA  HN      3.52  
         HN     46 CYSS HA      4.04  
         HN     47 TRP  HN      4.07  
         HN     47 TRP  HB2     5.50  
         HA     42 TYR  HB2     3.42  
         HA     42 TYR  HB3     3.24  
         HA     42 TYR  QD      6.59  
         HA     42 TYR  QE      7.63  
         HA     43 ALA  HN      2.80  
         HB2    42 TYR  QD      6.96  
         HB2    43 ALA  HN      3.73  
         HB2    46 CYSS HA      5.50  
         HB2    47 TRP  HN      5.44  
         HB3    42 TYR  QD      7.05  
         HB3    43 ALA  HN      4.14  
         HB3    47 TRP  HN      4.63  
         QD     42 TYR  QE      7.01  
         QD     43 ALA  HN      7.30  
         QD     43 ALA  QB      8.11  
         QD     47 TRP  HB2     7.64  
         QD     47 TRP  HB3     7.64  
         QD     47 TRP  HE3     7.08  
         QE     43 ALA  QB      8.57  
         QE     47 TRP  HE3     7.63  
 43 ALA  
         HN     43 ALA  HA      2.62  
         HN     43 ALA  QB      4.36  
         HN     44 PHE  HN      4.01  
         HA     43 ALA  QB      3.43  
         HA     44 PHE  HN      3.89  
         HA     44 PHE  QD      6.63  
         HA     44 PHE  QE      7.62  
 44 PHE  
         HN     44 PHE  HA      3.33  
         HN     44 PHE  QB      6.28  
         HN     45 ALA  HN      3.76  
         HA     44 PHE  QD      5.76  
         HA     44 PHE  QE      7.28  
         HA     45 ALA  HN      3.42  
         QB     44 PHE  QD      7.07  
         QB     45 ALA  HN      5.48  
 45 ALA  
         HN     45 ALA  HA      3.39  
         HN     45 ALA  QB      4.54  
         HA     45 ALA  QB      3.95  
         HA     46 CYSS HN      2.68  
         HA     46 CYSS HB3     4.23  
         QB     46 CYSS HN      4.20  
         QB     46 CYSS HA      6.53  
 46 CYSS 
         HN     46 CYSS HA      3.36  
         HN     46 CYSS HB2     3.50  
         HN     46 CYSS HB3     3.05  
         HA     46 CYSS HB2     3.36  
         HA     46 CYSS HB3     3.52  
         HA     47 TRP  HN      2.68  
         HA     47 TRP  HB3     4.01  
 47 TRP  
         HN     47 TRP  HA      3.58  
         HN     47 TRP  HB2     3.27  
         HN     47 TRP  HB3     3.27  
         HN     47 TRP  HD1     5.50  
         HN     48 CYSS HN      4.26  
         HA     47 TRP  HB3     3.89  
         HA     47 TRP  HD1     5.50  
         HA     47 TRP  HE3     5.38  
         HA     48 CYSS HN      2.90  
         HB2    47 TRP  HD1     4.04  
         HB2    47 TRP  HE3     3.89  
         HB2    48 CYSS HN      4.01  
         HB3    47 TRP  HD1     3.67  
         HB3    47 TRP  HE3     4.57  
         HD1    47 TRP  HE3     5.50  
         HD1    47 TRP  HE1     2.87  
         HD1    47 TRP  HZ2     5.22  
         HD1    48 CYSS HN      5.50  
         HD1    48 CYSS HA      5.19  
         HD1    49 THR  HA      5.35  
         HD1    49 THR  HB      4.94  
         HD1    49 THR  QG2     3.52  
         HE3    47 TRP  HZ3     2.68  
         HE3    47 TRP  HZ2     5.10  
         HE3    47 TRP  HH2     4.41  
         HE1    47 TRP  HZ2     3.33  
         HE1    49 THR  QG2     4.48  
         HZ3    47 TRP  HZ2     2.40  
         HZ3    47 TRP  HH2     2.40  
         HZ2    47 TRP  HH2     2.40  
 48 CYSS 
         HN     48 CYSS HA      3.73  
         HN     48 CYSS HB2     3.27  
         HN     48 CYSS HB3     3.52  
         HN     51 LEU  QD2     6.47  
         HA     48 CYSS HB2     3.27  
         HA     48 CYSS HB3     3.42  
         HA     49 THR  HN      2.74  
         HA     49 THR  QG2     5.32  
         HA     51 LEU  QD1     6.06  
         HA     51 LEU  QD2     6.53  
         HB2    51 LEU  QD1     4.57  
         HB2    51 LEU  QD2     5.01  
         HB3    49 THR  HN      3.80  
         HB3    51 LEU  QD1     4.64  
         HB3    51 LEU  QD2     4.57  
 49 THR  
         HN     49 THR  HA      3.21  
         HN     49 THR  HB      3.58  
         HN     49 THR  QG2     4.67  
         HN     51 LEU  QD1     6.47  
         HA     50 HIS  HN      2.71  
         HA     51 LEU  HN      3.83  
         HA     51 LEU  QD1     5.88  
         HA     51 LEU  QD2     6.12  
         QG2    50 HIS  HN      4.92  
         QG2    51 LEU  QD2     7.56  
 50 HIS  
         HN     50 HIS  HA      2.80  
         HN     50 HIS  HB2     3.73  
         HN     50 HIS  HB3     3.67  
         HN     51 LEU  HN      3.05  
         HA     50 HIS  HD2     5.00  
         HA     50 HIS  HE1     5.47  
         HA     51 LEU  HN      2.96  
         HA     51 LEU  QD1     6.03  
         HA     51 LEU  QD2     6.22  
         HB2    50 HIS  HD2     3.89  
         HB3    51 LEU  HN      4.23  
         HD2    50 HIS  HE1     4.07  
 51 LEU  
         HN     51 LEU  HA      3.42  
         HN     51 LEU  HB2     3.08  
         HN     51 LEU  HB3     3.80  
         HN     51 LEU  HG      3.50  
         HN     51 LEU  QD1     5.41  
         HN     51 LEU  QD2     5.44  
         HN     52 TYR  HN      5.00  
         HA     51 LEU  HB2     3.24  
         HA     51 LEU  HB3     3.02  
         HA     51 LEU  QD1     3.92  
         HA     51 LEU  QD2     5.10  
         HA     52 TYR  HN      2.52  
         HB2    51 LEU  QD1     4.73  
         HB2    51 LEU  QD2     4.39  
         HB2    52 TYR  HN      3.55  
         HB3    51 LEU  QD2     4.36  
         HB3    52 TYR  HN      3.18  
         HG     51 LEU  QD2     4.14  
         QD1    51 LEU  QD2     5.54  
         QD1    52 TYR  HN      4.95  
         QD1    55 ALA  QB      6.19  
         QD1    57 VAL  HA      5.50  
         QD2    52 TYR  HN      6.09  
         QD2    55 ALA  QB      5.79  
         QD2    57 VAL  QG2     5.76  
 52 TYR  
         HN     52 TYR  HA      2.87  
         HN     52 TYR  HB2     3.20  
         HN     52 TYR  HB3     3.20  
         HN     52 TYR  QD      5.62  
         HN     52 TYR  QE      7.63  
         HN     55 ALA  QB      4.64  
         HA     53 GLU- HN      2.80  
         HB2    52 TYR  QE      7.63  
         HB2    53 GLU- HN      3.08  
         HB2    54 GLN  HN      3.61  
         HB3    52 TYR  QD      6.18  
         HB3    52 TYR  QE      7.63  
         HB3    53 GLU- HN      3.08  
         HB3    54 GLN  HN      3.89  
         QD     52 TYR  QE      6.89  
         QD     53 GLU- HN      7.64  
         QD     54 GLN  HB2     7.64  
         QD     54 GLN  QG      8.52  
         QD     55 ALA  HA      7.64  
         QE     54 GLN  HB2     7.63  
         QE     54 GLN  HB3     7.63  
         QE     54 GLN  QG      8.51  
         QE     55 ALA  HA      6.61  
         QE     55 ALA  QB      8.32  
 53 GLU- 
         HN     53 GLU- HA      2.77  
         HN     53 GLU- QB      3.74  
         HN     53 GLU- QG      4.80  
         HN     54 GLN  HN      2.96  
         HN     55 ALA  HN      4.50  
         HA     53 GLU- QB      3.77  
         HA     53 GLU- QG      5.07  
         HA     54 GLN  HN      3.36  
         HA     55 ALA  HN      4.50  
         HA     55 ALA  QB      6.09  
         QB     54 GLN  HN      4.39  
         QG     54 GLN  HN      4.95  
 54 GLN  
         HN     54 GLN  HA      2.99  
         HN     54 GLN  HB2     3.30  
         HN     54 GLN  HB3     2.93  
         HN     54 GLN  QG      5.35  
         HN     55 ALA  HN      2.68  
         HN     55 ALA  QB      6.25  
         HA     55 ALA  HN      3.50  
         HB2    55 ALA  HN      5.00  
         HB3    55 ALA  HN      3.80  
         QG     55 ALA  HN      6.38  
 55 ALA  
         HN     55 ALA  HA      2.83  
         HN     55 ALA  QB      3.43  
         HA     55 ALA  QB      3.46  
         HA     56 ILE  HN      2.49  
         QB     56 ILE  HN      4.51  
         QB     57 VAL  QG2     6.44  
 56 ILE  
         HN     56 ILE  HA      3.30  
         HN     56 ILE  HB      2.87  
         HN     56 ILE  QG2     5.38  
         HN     56 ILE  QG1     5.97  
         HN     56 ILE  QD1     5.63  
         HA     56 ILE  HB      3.33  
         HA     56 ILE  QG2     3.99  
         HA     56 ILE  QG1     5.38  
         HA     56 ILE  QD1     4.64  
         HA     57 VAL  HN      2.49  
         HA     57 VAL  QG1     6.06  
         HA     57 VAL  QG2     6.37  
         HB     56 ILE  QG2     3.77  
         HB     57 VAL  HN      4.14  
         QG2    57 VAL  HN      4.57  
         QD1    57 VAL  HN      5.94  
 57 VAL  
         HN     57 VAL  HA      3.18  
         HN     57 VAL  HB      3.98  
         HN     57 VAL  QG1     4.02  
         HN     57 VAL  QG2     5.07  
         HA     57 VAL  QG1     4.33  
         HA     57 VAL  QG2     3.68  
         HA     58 TRP  HN      3.14  
         HB     57 VAL  QG1     3.89  
         HB     57 VAL  QG2     3.89  
         HB     58 TRP  HN      3.50  
         QG1    57 VAL  QG2     5.26  
         QG1    58 TRP  HN      5.50  
         QG2    58 TRP  HN      5.54  
 58 TRP  
         HN     58 TRP  HA      3.39  
         HD1    58 TRP  HE1     2.87  
         HD1    59 PRO  HA      3.70  
         HE1    58 TRP  HZ2     3.58  
         HE1    59 PRO  HA      5.47  
         HE1    65 CYSS HB3     5.47  
         HE1    65 CYSS HB2     6.00
         HZ2    59 PRO  HA      5.10  
 59 PRO  
         HA     59 PRO  HB2     3.55  
         HA     59 PRO  HB3     3.30  
         HA     59 PRO  QG      6.38  
         HA     60 LEU  HN      2.80  
         HB3    60 LEU  HN      3.61  
         QG     59 PRO  HD2     5.66  
         QG     59 PRO  HD3     5.38  
 60 LEU  
         HN     60 LEU  HA      3.52  
         HN     60 LEU  HB2     3.24  
         HN     60 LEU  HB3     3.73  
         HN     60 LEU  HG      4.04  
         HN     60 LEU  QD1     5.35  
         HN     60 LEU  QD2     5.94  
         HA     60 LEU  QD1     5.19  
         HA     60 LEU  QD2     4.05  
         HA     61 PRO  HD2     3.24  
         HA     61 PRO  HD3     3.27  
         QD1    61 PRO  HD2     6.09  
         QD1    61 PRO  HD3     5.69  
         QD2    61 PRO  HD2     4.92  
         QD2    61 PRO  HD3     4.73  
         QD2    62 ASN  HN      6.40  
 61 PRO  
         HA     61 PRO  HB2     2.62  
         HA     61 PRO  HB3     3.33  
         HA     61 PRO  QG      5.17  
         HA     61 PRO  HD2     5.50  
         HA     61 PRO  HD3     5.50  
         HA     62 ASN  HN      3.50  
         HA     63 LYS+ HN      4.50  
         HB2    62 ASN  HN      4.01  
         HB3    62 ASN  HN      3.27  
         QG     62 ASN  HN      5.11  
         HD2    62 ASN  HN      4.60  
         HD3    62 ASN  HN      4.14  
 62 ASN  
         HN     62 ASN  HA      3.00  
         HN     62 ASN  QB      4.30  
         HN     63 LYS+ HN      2.93  
         HA     63 LYS+ HN      3.08  
 63 LYS+ 
         HN     63 LYS+ HA      3.08  
         HN     63 LYS+ QB      4.83  
         HN     63 LYS+ QG      6.38  
         HA     64 ARG+ HN      2.49  
 64 ARG+ 
         HN     64 ARG+ HA      3.00  
         HN     64 ARG+ HB2     3.50  
         HN     64 ARG+ HB3     3.05  
         HN     64 ARG+ QG      5.60  
         HN     65 CYSS HN      4.50  
         HA     65 CYSS HN      2.52  
         HB2    65 CYSS HN      3.70  
         HB3    65 CYSS HN      3.73  
         QG     65 CYSS HN      6.38  
 65 CYSS 
         HN     65 CYSS HA      2.77  
         HN     65 CYSS HB2     3.08  
         HN     65 CYSS HB3     3.05  
 66 SER  
         HN     66 SER  HA      2.68  
         HN     66 SER  HB2     3.36  
         HN     66 SER  HB3     3.89  
#distance constraints for disulfide bonds#
 12 CYSS 
         CB     65 CYSS SG      3.00                
         SG     65 CYSS CB      3.00                
         SG     65 CYSS SG      2.00                
 16 CYSS 
         CB     41 CYSS SG      3.00                
         SG     41 CYSS CB      3.00                
         SG     41 CYSS SG      2.00                
 25 CYSS 
         CB     46 CYSS SG      3.00                
         SG     46 CYSS CB      3.00                
         SG     46 CYSS SG      2.00                
 29 CYSS 
         CB     48 CYSS SG      3.00                
         SG     48 CYSS CB      3.00                
         SG     48 CYSS SG      2.00                
#dihedral angles constraints#
   2 GLU-  PHI    -155.0   -85.0
   6 VAL   PHI    -155.0   -85.0
   6 VAL   CHI1     20.0   100.0  
   8 LYS+  PHI    -105.0   -55.0
   8 LYS+  CHI1   -120.0     0.0  
  10 THR   PHI    -155.0   -85.0
  10 THR   CHI1     20.0   100.0  
  12 CYSS  CHI1   -120.0     0.0  
  19 LEU   PHI    -105.0   -55.0
  21 ASP-  PHI    -105.0   -55.0
  22 ASN   PHI    -155.0   -85.0
  22 ASN   CHI1     20.0   100.0
  23 ASP-  PHI    -105.0   -55.0
  24 TYR   PHI    -105.0   -55.0
  24 TYR   CHI1   -120.0     0.0  
  25 CYSS  PHI    -105.0   -55.0
  26 LEU   PHI     -90.0   -40.0
  27 ARG+  PHI    -105.0   -55.0
  27 ARG+  CHI1   -120.0     0.0  
  28 GLU-  PHI     -90.0   -40.0
  29 CYSS  PHI    -105.0   -55.0
  30 LYS+  PHI    -105.0   -55.0
  31 GLN   PHI    -105.0   -55.0
  31 GLN   CHI1   -120.0     0.0  
  32 GLN   CHI1     20.0   100.0
  33 TYR   PHI    -155.0   -85.0
  33 TYR   CHI1   -120.0     0.0  
  35 LYS+  PHI    -105.0   -55.0
  35 LYS+  CHI1   -120.0     0.0  
  37 ALA   PHI    -105.0   -55.0
  40 TYR   CHI1     20.0   100.0
  41 CYSS  PHI    -175.0   -65.0
  42 TYR   PHI    -155.0   -85.0
  42 TYR   CHI1   -120.0     0.0  
  43 ALA   PHI    -105.0   -55.0
  45 ALA   PHI    -175.0   -65.0
  47 TRP   PHI    -155.0   -85.0
  48 CYSS  PHI    -155.0   -85.0
  48 CYSS  CHI1   -120.0     0.0  
  49 THR   PHI    -155.0   -85.0
  50 HIS   PHI    -175.0   -65.0
  51 LEU   CHI1   -120.0     0.0  
  52 TYR   PHI    -105.0   -55.0
  52 TYR   CHI1     20.0   100.0
  54 GLN   CHI1   -120.0     0.0  
  55 ALA   PHI    -105.0   -55.0
  56 ILE   CHI1   -120.0     0.0
  57 VAL   PHI    -155.0   -85.0
  57 VAL   CHI1     20.0   100.0  
  62 ASN   PHI    -175.0   -65.0
  62 ASN   CHI1     20.0   100.0
  63 LYS+  PHI    -175.0   -65.0
  63 LYS+  CHI1     20.0   100.0
  64 ARG+  PHI    -175.0   -65.0
  64 ARG+  CHI1     20.0   100.0
  65 CYSS  PHI    -105.0   -55.0
  66 SER   PHI    -105.0   -55.0
  66 SER   CHI1     20.0   100.0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    LYS   1          1H        LYS   1 -10.426  -0.445   0.700
    2   2H    LYS   1          2H        LYS   1 -10.940   0.185   2.143
    3   3H    LYS   1          3H        LYS   1 -10.843   1.154   0.803
    4    HA   LYS   1           HA       LYS   1  -9.067   1.648   2.194
    5   1HB   LYS   1          1HB       LYS   1  -9.188  -0.651   3.304
    6   2HB   LYS   1          2HB       LYS   1  -8.198  -1.241   1.984
    7   1HG   LYS   1          1HG       LYS   1  -6.454   0.470   2.522
    8   2HG   LYS   1          2HG       LYS   1  -7.444   1.068   3.839
    9   1HD   LYS   1          1HD       LYS   1  -7.322  -1.137   4.972
   10   2HD   LYS   1          2HD       LYS   1  -6.409  -1.800   3.632
   11   1HE   LYS   1          1HE       LYS   1  -4.585  -0.129   4.055
   12   2HE   LYS   1          2HE       LYS   1  -5.496   0.516   5.406
   13   1HZ   LYS   1          1HZ       LYS   1  -4.650  -2.290   5.211
   14   2HZ   LYS   1          2HZ       LYS   1  -3.824  -1.142   6.027
   15   3HZ   LYS   1          3HZ       LYS   1  -5.328  -1.562   6.506
   16    H    GLU   2           H        GLU   2  -9.365   2.582  -0.151
   17    HA   GLU   2           HA       GLU   2  -7.857   1.018  -2.070
   18   1HB   GLU   2          1HB       GLU   2  -9.692   3.366  -2.674
   19   2HB   GLU   2          2HB       GLU   2  -9.146   2.123  -3.781
   20   1HG   GLU   2          1HG       GLU   2 -11.123   1.844  -1.487
   21   2HG   GLU   2          2HG       GLU   2 -11.398   1.529  -3.189
   22    H    GLY   3           H        GLY   3  -6.444   2.182  -3.658
   23   1HA   GLY   3          1HA       GLY   3  -5.864   4.852  -3.672
   24   2HA   GLY   3          2HA       GLY   3  -4.836   4.201  -2.411
   25    H    TYR   4           H        TYR   4  -3.072   4.938  -3.960
   26    HA   TYR   4           HA       TYR   4  -2.576   3.237  -6.206
   27   1HB   TYR   4          1HB       TYR   4  -0.837   5.062  -4.430
   28   2HB   TYR   4          2HB       TYR   4  -0.319   4.427  -5.979
   29    HD1  TYR   4           HD1      TYR   4  -1.956   4.994  -8.013
   30    HD2  TYR   4           HD2      TYR   4  -1.742   7.202  -4.355
   31    HE1  TYR   4           HE1      TYR   4  -2.957   7.024  -9.171
   32    HE2  TYR   4           HE2      TYR   4  -2.743   9.225  -5.526
   33    HH   TYR   4           HH       TYR   4  -3.459   9.125  -9.000
   34    H    LEU   5           H        LEU   5  -1.878   1.159  -6.125
   35    HA   LEU   5           HA       LEU   5  -0.957  -0.082  -3.803
   36   1HB   LEU   5          1HB       LEU   5  -0.597  -1.939  -5.126
   37   2HB   LEU   5          2HB       LEU   5  -1.905  -1.095  -5.929
   38    HG   LEU   5           HG       LEU   5   0.934  -0.661  -6.824
   39   1HD1  LEU   5          1HD1      LEU   5  -0.836  -2.995  -7.601
   40   2HD1  LEU   5          2HD1      LEU   5   0.644  -2.504  -8.460
   41   3HD1  LEU   5          3HD1      LEU   5   0.739  -3.063  -6.772
   42   1HD2  LEU   5          1HD2      LEU   5  -1.802  -0.357  -8.047
   43   2HD2  LEU   5          2HD2      LEU   5  -0.509   0.852  -7.858
   44   3HD2  LEU   5          3HD2      LEU   5  -0.337  -0.456  -9.053
   45    H    VAL   6           H        VAL   6   1.425  -1.225  -3.912
   46    HA   VAL   6           HA       VAL   6   3.192   1.102  -3.976
   47    HB   VAL   6           HB       VAL   6   2.070   1.302  -1.883
   48   1HG1  VAL   6          1HG1      VAL   6   2.704  -1.638  -1.473
   49   2HG1  VAL   6          2HG1      VAL   6   2.094  -0.554  -0.200
   50   3HG1  VAL   6          3HG1      VAL   6   1.097  -0.889  -1.636
   51   1HG2  VAL   6          1HG2      VAL   6   4.635   1.487  -2.026
   52   2HG2  VAL   6          2HG2      VAL   6   3.902   1.349  -0.410
   53   3HG2  VAL   6          3HG2      VAL   6   4.666  -0.070  -1.166
   54    H    ASP   7           H        ASP   7   5.408   0.566  -4.099
   55    HA   ASP   7           HA       ASP   7   6.062  -2.119  -4.639
   56   1HB   ASP   7          1HB       ASP   7   7.363  -0.273  -5.598
   57   2HB   ASP   7          2HB       ASP   7   7.747   0.344  -4.004
   58    H    LYS   8           H        LYS   8   6.551  -3.721  -3.089
   59    HA   LYS   8           HA       LYS   8   5.923  -2.923  -0.419
   60   1HB   LYS   8          1HB       LYS   8   6.070  -5.436  -1.977
   61   2HB   LYS   8          2HB       LYS   8   6.443  -5.596  -0.272
   62   1HG   LYS   8          1HG       LYS   8   4.008  -4.006  -1.137
   63   2HG   LYS   8          2HG       LYS   8   3.929  -5.756  -1.088
   64   1HD   LYS   8          1HD       LYS   8   5.023  -4.270   1.311
   65   2HD   LYS   8          2HD       LYS   8   3.289  -4.313   1.058
   66   1HE   LYS   8          1HE       LYS   8   3.384  -6.825   0.950
   67   2HE   LYS   8          2HE       LYS   8   5.109  -6.763   1.246
   68   1HZ   LYS   8          1HZ       LYS   8   4.650  -5.668   3.338
   69   2HZ   LYS   8          2HZ       LYS   8   3.042  -5.731   3.062
   70   3HZ   LYS   8          3HZ       LYS   8   3.890  -7.111   3.268
   71    H    ASN   9           H        ASN   9   8.791  -3.109  -2.257
   72    HA   ASN   9           HA       ASN   9  10.413  -3.916  -0.037
   73   1HB   ASN   9          1HB       ASN   9  10.770  -3.441  -2.956
   74   2HB   ASN   9          2HB       ASN   9  12.138  -2.910  -1.997
   75   1HD2  ASN   9          1HD2      ASN   9  11.070  -6.900  -2.238
   76   2HD2  ASN   9          2HD2      ASN   9   9.966  -5.623  -2.630
   77    H    THR  10           H        THR  10  10.643  -1.111  -2.373
   78    HA   THR  10           HA       THR  10  12.063   0.328  -0.275
   79    HB   THR  10           HB       THR  10  12.384   1.835  -2.492
   80    HG1  THR  10           HG1      THR  10  10.933   0.632  -3.813
   81   1HG2  THR  10          1HG2      THR  10  13.618  -0.958  -2.223
   82   2HG2  THR  10          2HG2      THR  10  14.275   0.384  -3.190
   83   3HG2  THR  10          3HG2      THR  10  14.231   0.505  -1.415
   84    H    GLY  11           H        GLY  11   8.891   0.103  -1.521
   85   1HA   GLY  11          1HA       GLY  11   7.074   1.416  -1.378
   86   2HA   GLY  11          2HA       GLY  11   7.856   2.205  -0.023
   87    H    CYS  12           H        CYS  12   9.030   2.095  -3.453
   88    HA   CYS  12           HA       CYS  12   8.624   4.943  -3.663
   89   1HB   CYS  12          1HB       CYS  12  10.012   2.852  -5.231
   90   2HB   CYS  12          2HB       CYS  12   9.303   4.154  -6.166
   91    H    LYS  13           H        LYS  13   7.212   5.845  -5.404
   92    HA   LYS  13           HA       LYS  13   4.667   4.712  -5.288
   93   1HB   LYS  13          1HB       LYS  13   4.077   6.476  -6.924
   94   2HB   LYS  13          2HB       LYS  13   4.969   7.083  -5.544
   95   1HG   LYS  13          1HG       LYS  13   6.772   7.701  -6.818
   96   2HG   LYS  13          2HG       LYS  13   6.726   6.233  -7.774
   97   1HD   LYS  13          1HD       LYS  13   4.672   8.454  -8.136
   98   2HD   LYS  13          2HD       LYS  13   6.198   8.457  -8.997
   99   1HE   LYS  13          1HE       LYS  13   5.575   6.037  -9.752
  100   2HE   LYS  13          2HE       LYS  13   3.959   6.403  -9.180
  101   1HZ   LYS  13          1HZ       LYS  13   4.075   8.403 -10.629
  102   2HZ   LYS  13          2HZ       LYS  13   5.450   7.807 -11.278
  103   3HZ   LYS  13          3HZ       LYS  13   4.050   6.980 -11.430
  104    H    TYR  14           H        TYR  14   3.413   3.547  -6.788
  105    HA   TYR  14           HA       TYR  14   5.040   1.920  -8.555
  106   1HB   TYR  14          1HB       TYR  14   3.191   1.210  -6.814
  107   2HB   TYR  14          2HB       TYR  14   2.027   1.888  -7.935
  108    HD1  TYR  14           HD1      TYR  14   1.750   0.860 -10.216
  109    HD2  TYR  14           HD2      TYR  14   4.155  -0.952  -7.177
  110    HE1  TYR  14           HE1      TYR  14   1.677  -1.351 -11.467
  111    HE2  TYR  14           HE2      TYR  14   4.073  -3.158  -8.438
  112    HH   TYR  14           HH       TYR  14   2.787  -3.348 -11.654
  113    H    GLU  15           H        GLU  15   5.247   2.357 -10.705
  114    HA   GLU  15           HA       GLU  15   3.591   4.552 -11.611
  115   1HB   GLU  15          1HB       GLU  15   6.099   4.761 -11.618
  116   2HB   GLU  15          2HB       GLU  15   6.185   3.453 -12.782
  117   1HG   GLU  15          1HG       GLU  15   5.331   4.746 -14.522
  118   2HG   GLU  15          2HG       GLU  15   4.348   5.733 -13.459
  119    H    CYS  16           H        CYS  16   2.031   4.282 -13.158
  120    HA   CYS  16           HA       CYS  16   2.013   1.723 -14.555
  121   1HB   CYS  16          1HB       CYS  16  -0.223   1.798 -14.556
  122   2HB   CYS  16          2HB       CYS  16   0.013   2.901 -13.216
  123    H    LEU  17           H        LEU  17   0.971   2.069 -16.938
  124    HA   LEU  17           HA       LEU  17   3.011   3.635 -18.224
  125   1HB   LEU  17          1HB       LEU  17   0.853   1.994 -19.536
  126   2HB   LEU  17          2HB       LEU  17   2.402   2.479 -20.198
  127    HG   LEU  17           HG       LEU  17   1.915   0.455 -18.000
  128   1HD1  LEU  17          1HD1      LEU  17   1.418  -0.311 -20.288
  129   2HD1  LEU  17          2HD1      LEU  17   3.075   0.118 -20.780
  130   3HD1  LEU  17          3HD1      LEU  17   2.808  -1.162 -19.572
  131   1HD2  LEU  17          1HD2      LEU  17   4.513   1.600 -19.043
  132   2HD2  LEU  17          2HD2      LEU  17   3.904   1.591 -17.370
  133   3HD2  LEU  17          3HD2      LEU  17   4.402   0.067 -18.146
  134    H    LYS  18           H        LYS  18   1.146   3.978 -20.644
  135    HA   LYS  18           HA       LYS  18   0.819   6.678 -20.321
  136   1HB   LYS  18          1HB       LYS  18   0.884   5.368 -22.464
  137   2HB   LYS  18          2HB       LYS  18  -0.779   4.894 -22.180
  138   1HG   LYS  18          1HG       LYS  18  -1.060   7.574 -21.838
  139   2HG   LYS  18          2HG       LYS  18   0.334   7.593 -22.899
  140   1HD   LYS  18          1HD       LYS  18  -1.439   7.623 -24.442
  141   2HD   LYS  18          2HD       LYS  18  -1.051   5.916 -24.382
  142   1HE   LYS  18          1HE       LYS  18  -2.856   6.035 -22.329
  143   2HE   LYS  18          2HE       LYS  18  -3.452   7.356 -23.313
  144   1HZ   LYS  18          1HZ       LYS  18  -3.496   5.835 -25.191
  145   2HZ   LYS  18          2HZ       LYS  18  -2.995   4.606 -24.240
  146   3HZ   LYS  18          3HZ       LYS  18  -4.446   5.304 -23.974
  147    H    LEU  19           H        LEU  19  -0.649   8.000 -19.353
  148    HA   LEU  19           HA       LEU  19  -2.402   6.854 -17.501
  149   1HB   LEU  19          1HB       LEU  19  -2.994   9.078 -16.943
  150   2HB   LEU  19          2HB       LEU  19  -1.274   9.035 -17.282
  151    HG   LEU  19           HG       LEU  19  -2.312   9.736 -19.734
  152   1HD1  LEU  19          1HD1      LEU  19  -4.570   9.956 -18.811
  153   2HD1  LEU  19          2HD1      LEU  19  -3.973  11.143 -17.627
  154   3HD1  LEU  19          3HD1      LEU  19  -3.932  11.522 -19.365
  155   1HD2  LEU  19          1HD2      LEU  19  -0.353  10.711 -18.651
  156   2HD2  LEU  19          2HD2      LEU  19  -1.456  11.977 -19.242
  157   3HD2  LEU  19          3HD2      LEU  19  -1.402  11.581 -17.507
  158    H    GLY  20           H        GLY  20  -4.733   6.878 -17.403
  159   1HA   GLY  20          1HA       GLY  20  -6.836   7.171 -18.415
  160   2HA   GLY  20          2HA       GLY  20  -6.081   7.212 -19.996
  161    H    ASP  21           H        ASP  21  -4.363   4.938 -19.867
  162    HA   ASP  21           HA       ASP  21  -6.350   3.153 -20.714
  163   1HB   ASP  21          1HB       ASP  21  -3.334   2.832 -20.362
  164   2HB   ASP  21          2HB       ASP  21  -4.346   1.629 -21.135
  165    H    ASN  22           H        ASN  22  -7.578   2.180 -19.042
  166    HA   ASN  22           HA       ASN  22  -6.230   1.571 -16.588
  167   1HB   ASN  22          1HB       ASN  22  -8.587   0.952 -15.834
  168   2HB   ASN  22          2HB       ASN  22  -8.432   2.602 -16.400
  169   1HD2  ASN  22          1HD2      ASN  22 -10.823  -0.131 -18.256
  170   2HD2  ASN  22          2HD2      ASN  22  -9.659  -0.586 -17.057
  171    H    ASP  23           H        ASP  23  -5.311  -0.024 -18.773
  172    HA   ASP  23           HA       ASP  23  -6.769  -2.518 -18.471
  173   1HB   ASP  23          1HB       ASP  23  -6.415  -1.708 -20.788
  174   2HB   ASP  23          2HB       ASP  23  -4.686  -1.615 -20.514
  175    H    TYR  24           H        TYR  24  -3.475  -0.997 -18.481
  176    HA   TYR  24           HA       TYR  24  -2.136  -3.370 -17.670
  177   1HB   TYR  24          1HB       TYR  24  -1.376  -0.403 -17.358
  178   2HB   TYR  24          2HB       TYR  24  -0.254  -1.743 -17.492
  179    HD1  TYR  24           HD1      TYR  24  -0.660  -3.213 -19.752
  180    HD2  TYR  24           HD2      TYR  24  -1.642   0.919 -19.239
  181    HE1  TYR  24           HE1      TYR  24  -0.562  -2.870 -22.270
  182    HE2  TYR  24           HE2      TYR  24  -1.540   1.249 -21.758
  183    HH   TYR  24           HH       TYR  24  -1.359   0.281 -23.691
  184    H    CYS  25           H        CYS  25  -3.419  -0.444 -15.992
  185    HA   CYS  25           HA       CYS  25  -2.437  -0.967 -13.480
  186   1HB   CYS  25          1HB       CYS  25  -3.594   1.093 -14.126
  187   2HB   CYS  25          2HB       CYS  25  -5.111   0.223 -14.245
  188    H    LEU  26           H        LEU  26  -5.571  -2.006 -15.019
  189    HA   LEU  26           HA       LEU  26  -6.509  -3.544 -12.943
  190   1HB   LEU  26          1HB       LEU  26  -7.284  -2.904 -15.503
  191   2HB   LEU  26          2HB       LEU  26  -7.015  -4.632 -15.616
  192    HG   LEU  26           HG       LEU  26  -8.784  -3.342 -13.522
  193   1HD1  LEU  26          1HD1      LEU  26  -9.565  -4.579 -16.177
  194   2HD1  LEU  26          2HD1      LEU  26 -10.691  -4.081 -14.891
  195   3HD1  LEU  26          3HD1      LEU  26  -9.695  -2.863 -15.722
  196   1HD2  LEU  26          1HD2      LEU  26  -8.468  -6.225 -14.401
  197   2HD2  LEU  26          2HD2      LEU  26  -7.942  -5.518 -12.854
  198   3HD2  LEU  26          3HD2      LEU  26  -9.676  -5.622 -13.242
  199    H    ARG  27           H        ARG  27  -4.485  -4.607 -15.770
  200    HA   ARG  27           HA       ARG  27  -4.470  -7.237 -15.100
  201   1HB   ARG  27          1HB       ARG  27  -2.730  -5.423 -16.729
  202   2HB   ARG  27          2HB       ARG  27  -1.992  -6.946 -16.274
  203   1HG   ARG  27          1HG       ARG  27  -4.313  -7.977 -17.093
  204   2HG   ARG  27          2HG       ARG  27  -4.451  -6.466 -17.971
  205   1HD   ARG  27          1HD       ARG  27  -1.864  -7.143 -18.600
  206   2HD   ARG  27          2HD       ARG  27  -2.553  -8.740 -18.395
  207    HE   ARG  27           HE       ARG  27  -3.811  -8.428 -20.344
  208   1HH1  ARG  27          2HH1      ARG  27  -2.542  -5.329 -19.266
  209   2HH1  ARG  27          1HH1      ARG  27  -3.062  -4.480 -20.684
  210   1HH2  ARG  27          1HH2      ARG  27  -4.604  -7.280 -22.159
  211   2HH2  ARG  27          2HH2      ARG  27  -4.397  -5.563 -22.250
  212    H    GLU  28           H        GLU  28  -2.232  -4.584 -14.076
  213    HA   GLU  28           HA       GLU  28  -0.307  -6.297 -13.036
  214   1HB   GLU  28          1HB       GLU  28  -0.926  -3.351 -12.728
  215   2HB   GLU  28          2HB       GLU  28   0.328  -4.077 -11.742
  216   1HG   GLU  28          1HG       GLU  28   1.496  -4.888 -13.779
  217   2HG   GLU  28          2HG       GLU  28   0.219  -4.243 -14.791
  218    H    CYS  29           H        CYS  29  -3.048  -4.495 -11.511
  219    HA   CYS  29           HA       CYS  29  -2.374  -5.263  -8.895
  220   1HB   CYS  29          1HB       CYS  29  -4.549  -3.828 -10.238
  221   2HB   CYS  29          2HB       CYS  29  -5.082  -4.746  -8.843
  222    H    LYS  30           H        LYS  30  -4.090  -6.752 -11.608
  223    HA   LYS  30           HA       LYS  30  -5.588  -8.622 -10.145
  224   1HB   LYS  30          1HB       LYS  30  -5.527  -7.832 -12.723
  225   2HB   LYS  30          2HB       LYS  30  -4.606  -9.316 -12.869
  226   1HG   LYS  30          1HG       LYS  30  -6.686 -10.277 -13.041
  227   2HG   LYS  30          2HG       LYS  30  -6.629 -10.230 -11.290
  228   1HD   LYS  30          1HD       LYS  30  -7.751  -7.952 -11.372
  229   2HD   LYS  30          2HD       LYS  30  -7.907  -8.134 -13.108
  230   1HE   LYS  30          1HE       LYS  30  -9.270 -10.192 -12.794
  231   2HE   LYS  30          2HE       LYS  30  -9.070 -10.079 -11.056
  232   1HZ   LYS  30          1HZ       LYS  30 -10.160  -7.908 -11.172
  233   2HZ   LYS  30          2HZ       LYS  30 -10.427  -8.118 -12.770
  234   3HZ   LYS  30          3HZ       LYS  30 -11.130  -9.117 -11.687
  235    H    GLN  31           H        GLN  31  -2.283  -8.723 -11.618
  236    HA   GLN  31           HA       GLN  31  -2.010 -11.361 -10.419
  237   1HB   GLN  31          1HB       GLN  31  -0.478 -10.062 -12.714
  238   2HB   GLN  31          2HB       GLN  31  -0.136 -11.657 -12.074
  239   1HG   GLN  31          1HG       GLN  31  -2.446 -12.400 -12.649
  240   2HG   GLN  31          2HG       GLN  31  -2.822 -10.798 -13.251
  241   1HE2  GLN  31          1HE2      GLN  31  -0.330 -13.361 -15.339
  242   2HE2  GLN  31          2HE2      GLN  31  -0.619 -13.539 -13.641
  243    H    GLN  32           H        GLN  32  -1.753  -9.023  -8.723
  244    HA   GLN  32           HA       GLN  32   0.534 -10.259  -7.588
  245   1HB   GLN  32          1HB       GLN  32   1.829  -8.282  -7.086
  246   2HB   GLN  32          2HB       GLN  32   1.539  -8.295  -8.814
  247   1HG   GLN  32          1HG       GLN  32  -0.500  -6.784  -8.363
  248   2HG   GLN  32          2HG       GLN  32   0.080  -6.628  -6.718
  249   1HE2  GLN  32          1HE2      GLN  32   1.977  -4.802  -9.891
  250   2HE2  GLN  32          2HE2      GLN  32   0.819  -6.072 -10.105
  251    H    TYR  33           H        TYR  33  -2.061  -7.773  -7.424
  252    HA   TYR  33           HA       TYR  33  -2.285  -8.299  -4.545
  253   1HB   TYR  33          1HB       TYR  33  -2.432  -6.013  -6.342
  254   2HB   TYR  33          2HB       TYR  33  -4.040  -6.245  -5.687
  255    HD1  TYR  33           HD1      TYR  33  -3.359  -7.229  -2.930
  256    HD2  TYR  33           HD2      TYR  33  -1.695  -4.055  -5.267
  257    HE1  TYR  33           HE1      TYR  33  -2.663  -6.020  -0.806
  258    HE2  TYR  33           HE2      TYR  33  -1.006  -2.857  -3.134
  259    HH   TYR  33           HH       TYR  33  -1.239  -2.791  -0.953
  260    H    GLY  34           H        GLY  34  -3.322  -9.977  -7.037
  261   1HA   GLY  34          1HA       GLY  34  -4.553 -11.778  -6.054
  262   2HA   GLY  34          2HA       GLY  34  -5.640 -10.615  -5.320
  263    H    LYS  35           H        LYS  35  -6.035 -12.942  -7.305
  264    HA   LYS  35           HA       LYS  35  -6.854 -11.654  -9.725
  265   1HB   LYS  35          1HB       LYS  35  -7.241 -14.476  -8.686
  266   2HB   LYS  35          2HB       LYS  35  -7.710 -13.933 -10.284
  267   1HG   LYS  35          1HG       LYS  35  -5.274 -13.162 -10.613
  268   2HG   LYS  35          2HG       LYS  35  -4.891 -13.998  -9.121
  269   1HD   LYS  35          1HD       LYS  35  -6.233 -15.345 -11.511
  270   2HD   LYS  35          2HD       LYS  35  -4.503 -15.361 -11.237
  271   1HE   LYS  35          1HE       LYS  35  -4.967 -16.389  -8.935
  272   2HE   LYS  35          2HE       LYS  35  -6.648 -16.536  -9.409
  273   1HZ   LYS  35          1HZ       LYS  35  -5.909 -17.852 -11.303
  274   2HZ   LYS  35          2HZ       LYS  35  -4.361 -17.757 -10.794
  275   3HZ   LYS  35          3HZ       LYS  35  -5.472 -18.539  -9.888
  276    H    GLY  36           H        GLY  36  -8.109 -10.044  -8.122
  277   1HA   GLY  36          1HA       GLY  36 -10.751 -10.453  -9.075
  278   2HA   GLY  36          2HA       GLY  36 -10.697 -10.640  -7.333
  279    H    ALA  37           H        ALA  37  -8.580  -8.475  -9.312
  280    HA   ALA  37           HA       ALA  37  -9.390  -6.387  -7.416
  281   1HB   ALA  37          1HB       ALA  37  -7.050  -7.250  -7.289
  282   2HB   ALA  37          2HB       ALA  37  -6.795  -6.731  -8.972
  283   3HB   ALA  37          3HB       ALA  37  -7.125  -5.523  -7.707
  284    H    GLY  38           H        GLY  38  -8.907  -4.071  -8.384
  285   1HA   GLY  38          1HA       GLY  38  -9.137  -3.878 -11.258
  286   2HA   GLY  38          2HA       GLY  38 -10.578  -3.386 -10.391
  287    H    GLY  39           H        GLY  39  -9.401  -1.418 -11.843
  288   1HA   GLY  39          1HA       GLY  39  -8.565   0.605 -10.159
  289   2HA   GLY  39          2HA       GLY  39  -7.107  -0.241 -10.639
  290    H    TYR  40           H        TYR  40  -7.020   2.231 -11.521
  291    HA   TYR  40           HA       TYR  40  -7.116   1.765 -14.361
  292   1HB   TYR  40          1HB       TYR  40  -8.193   4.213 -14.461
  293   2HB   TYR  40          2HB       TYR  40  -9.255   2.841 -14.215
  294    HD1  TYR  40           HD1      TYR  40  -7.403   5.517 -12.389
  295    HD2  TYR  40           HD2      TYR  40 -10.618   2.697 -12.291
  296    HE1  TYR  40           HE1      TYR  40  -8.258   6.557 -10.233
  297    HE2  TYR  40           HE2      TYR  40 -11.463   3.746 -10.135
  298    HH   TYR  40           HH       TYR  40 -11.035   5.157  -8.535
  299    H    CYS  41           H        CYS  41  -6.148   3.868 -15.502
  300    HA   CYS  41           HA       CYS  41  -3.698   4.251 -13.976
  301   1HB   CYS  41          1HB       CYS  41  -4.361   3.895 -16.823
  302   2HB   CYS  41          2HB       CYS  41  -3.157   5.129 -16.512
  303    H    TYR  42           H        TYR  42  -3.877   6.164 -12.757
  304    HA   TYR  42           HA       TYR  42  -4.767   8.579 -14.046
  305   1HB   TYR  42          1HB       TYR  42  -3.720   7.535 -11.445
  306   2HB   TYR  42          2HB       TYR  42  -3.102   9.132 -11.815
  307    HD1  TYR  42           HD1      TYR  42  -5.184  10.680 -12.905
  308    HD2  TYR  42           HD2      TYR  42  -5.507   7.576  -9.979
  309    HE1  TYR  42           HE1      TYR  42  -7.341  11.711 -12.039
  310    HE2  TYR  42           HE2      TYR  42  -7.663   8.617  -9.124
  311    HH   TYR  42           HH       TYR  42  -9.105  10.201  -9.345
  312    H    ALA  43           H        ALA  43  -2.859  10.459 -13.439
  313    HA   ALA  43           HA       ALA  43  -1.049  10.301 -15.503
  314   1HB   ALA  43          1HB       ALA  43  -0.908  11.827 -12.871
  315   2HB   ALA  43          2HB       ALA  43   0.094  12.166 -14.303
  316   3HB   ALA  43          3HB       ALA  43  -1.671  12.381 -14.380
  317    H    PHE  44           H        PHE  44  -0.074   8.202 -15.558
  318    HA   PHE  44           HA       PHE  44   1.502   6.717 -15.128
  319   1HB   PHE  44          1HB       PHE  44   2.894   9.057 -13.704
  320   2HB   PHE  44          2HB       PHE  44   3.684   7.724 -14.521
  321    HD1  PHE  44           HD1      PHE  44   3.023   7.503 -17.100
  322    HD2  PHE  44           HD2      PHE  44   2.760  11.070 -14.818
  323    HE1  PHE  44           HE1      PHE  44   3.131   8.859 -19.209
  324    HE2  PHE  44           HE2      PHE  44   2.869  12.428 -16.926
  325    HZ   PHE  44           HZ       PHE  44   3.053  11.305 -19.098
  326    H    ALA  45           H        ALA  45  -0.551   6.613 -13.223
  327    HA   ALA  45           HA       ALA  45   0.904   5.316 -11.126
  328   1HB   ALA  45          1HB       ALA  45   0.878   7.630 -10.278
  329   2HB   ALA  45          2HB       ALA  45  -0.889   7.692 -10.481
  330   3HB   ALA  45          3HB       ALA  45  -0.168   6.582  -9.291
  331    H    CYS  46           H        CYS  46  -0.260   3.555 -10.398
  332    HA   CYS  46           HA       CYS  46  -2.799   3.198 -11.762
  333   1HB   CYS  46          1HB       CYS  46  -1.324   1.432 -12.204
  334   2HB   CYS  46          2HB       CYS  46  -0.797   1.318 -10.537
  335    H    TRP  47           H        TRP  47  -4.399   4.190 -10.495
  336    HA   TRP  47           HA       TRP  47  -4.458   3.695  -7.652
  337   1HB   TRP  47          1HB       TRP  47  -5.181   5.842  -8.466
  338   2HB   TRP  47          2HB       TRP  47  -6.351   5.101  -9.540
  339    HD1  TRP  47           HD1      TRP  47  -8.397   3.643  -8.118
  340    HE1  TRP  47           HE1      TRP  47  -9.720   4.284  -5.927
  341    HE3  TRP  47           HE3      TRP  47  -5.003   7.032  -6.431
  342    HZ2  TRP  47           HZ2      TRP  47  -9.211   6.096  -3.783
  343    HZ3  TRP  47           HZ3      TRP  47  -5.493   8.193  -4.279
  344    HH2  TRP  47           HH2      TRP  47  -7.512   7.772  -2.968
  345    H    CYS  48           H        CYS  48  -5.214   1.793  -6.829
  346    HA   CYS  48           HA       CYS  48  -6.999   0.247  -8.559
  347   1HB   CYS  48          1HB       CYS  48  -4.971  -0.619  -6.501
  348   2HB   CYS  48          2HB       CYS  48  -6.222  -1.693  -7.093
  349    H    THR  49           H        THR  49  -8.802  -0.957  -7.340
  350    HA   THR  49           HA       THR  49  -9.789   0.590  -5.121
  351    HB   THR  49           HB       THR  49  -9.830   2.293  -6.915
  352    HG1  THR  49           HG1      THR  49 -12.088   2.646  -6.617
  353   1HG2  THR  49          1HG2      THR  49 -10.328   0.136  -8.653
  354   2HG2  THR  49          2HG2      THR  49 -11.908   0.944  -8.524
  355   3HG2  THR  49          3HG2      THR  49 -10.483   1.859  -9.072
  356    H    HIS  50           H        HIS  50  -9.811  -1.847  -4.643
  357    HA   HIS  50           HA       HIS  50 -12.329  -2.950  -5.020
  358   1HB   HIS  50          1HB       HIS  50 -10.726  -3.141  -7.348
  359   2HB   HIS  50          2HB       HIS  50 -10.740  -4.740  -6.631
  360    HD1  HIS  50           HD1      HIS  50 -13.451  -2.065  -7.197
  361    HD2  HIS  50           HD2      HIS  50 -12.787  -6.177  -7.693
  362    HE1  HIS  50           HE1      HIS  50 -15.594  -3.019  -8.199
  363    H    LEU  51           H        LEU  51 -10.553  -2.584  -2.812
  364    HA   LEU  51           HA       LEU  51  -8.904  -5.018  -2.798
  365   1HB   LEU  51          1HB       LEU  51  -8.153  -2.202  -2.001
  366   2HB   LEU  51          2HB       LEU  51  -7.156  -3.618  -1.733
  367    HG   LEU  51           HG       LEU  51  -8.074  -2.899  -4.510
  368   1HD1  LEU  51          1HD1      LEU  51  -5.754  -1.696  -2.989
  369   2HD1  LEU  51          2HD1      LEU  51  -5.870  -1.699  -4.766
  370   3HD1  LEU  51          3HD1      LEU  51  -7.101  -0.856  -3.794
  371   1HD2  LEU  51          1HD2      LEU  51  -5.662  -4.396  -3.446
  372   2HD2  LEU  51          2HD2      LEU  51  -7.107  -5.108  -4.204
  373   3HD2  LEU  51          3HD2      LEU  51  -6.016  -4.077  -5.162
  374    H    TYR  52           H        TYR  52  -7.990  -5.416  -0.470
  375    HA   TYR  52           HA       TYR  52 -10.304  -5.155   1.322
  376   1HB   TYR  52          1HB       TYR  52  -8.610  -7.156   2.287
  377   2HB   TYR  52          2HB       TYR  52  -9.954  -7.467   1.206
  378    HD1  TYR  52           HD1      TYR  52  -6.302  -7.155   1.463
  379    HD2  TYR  52           HD2      TYR  52  -9.584  -7.921  -1.172
  380    HE1  TYR  52           HE1      TYR  52  -4.696  -8.067  -0.285
  381    HE2  TYR  52           HE2      TYR  52  -7.967  -8.830  -2.911
  382    HH   TYR  52           HH       TYR  52  -5.757  -8.776  -3.512
  383    H    GLU  53           H        GLU  53  -9.385  -5.640   3.761
  384    HA   GLU  53           HA       GLU  53  -8.174  -3.261   4.435
  385   1HB   GLU  53          1HB       GLU  53  -9.612  -4.615   5.949
  386   2HB   GLU  53          2HB       GLU  53  -8.363  -5.839   6.055
  387   1HG   GLU  53          1HG       GLU  53  -6.822  -4.277   7.137
  388   2HG   GLU  53          2HG       GLU  53  -7.902  -2.928   6.848
  389    H    GLN  54           H        GLN  54  -6.828  -6.427   3.583
  390    HA   GLN  54           HA       GLN  54  -4.228  -5.629   4.545
  391   1HB   GLN  54          1HB       GLN  54  -5.377  -8.198   3.413
  392   2HB   GLN  54          2HB       GLN  54  -3.643  -7.985   3.552
  393   1HG   GLN  54          1HG       GLN  54  -3.856  -7.554   5.983
  394   2HG   GLN  54          2HG       GLN  54  -5.602  -7.646   5.873
  395   1HE2  GLN  54          1HE2      GLN  54  -4.902 -10.923   7.096
  396   2HE2  GLN  54          2HE2      GLN  54  -5.155  -9.276   7.571
  397    H    ALA  55           H        ALA  55  -5.682  -4.263   2.187
  398    HA   ALA  55           HA       ALA  55  -3.273  -4.417   0.519
  399   1HB   ALA  55          1HB       ALA  55  -5.429  -4.448  -0.676
  400   2HB   ALA  55          2HB       ALA  55  -5.901  -2.928   0.123
  401   3HB   ALA  55          3HB       ALA  55  -4.534  -2.948  -1.018
  402    H    ILE  56           H        ILE  56  -1.613  -3.099   1.110
  403    HA   ILE  56           HA       ILE  56  -2.251  -0.626   2.499
  404    HB   ILE  56           HB       ILE  56   0.373  -1.926   1.760
  405   1HG1  ILE  56          1HG1      ILE  56  -0.690  -1.566   4.550
  406   2HG1  ILE  56          2HG1      ILE  56  -1.232  -2.919   3.578
  407   1HG2  ILE  56          1HG2      ILE  56  -0.224   0.635   3.254
  408   2HG2  ILE  56          2HG2      ILE  56   1.333  -0.222   3.346
  409   3HG2  ILE  56          3HG2      ILE  56   0.760   0.418   1.787
  410   1HD1  ILE  56          1HD1      ILE  56   1.151  -3.589   3.192
  411   2HD1  ILE  56          2HD1      ILE  56   1.673  -2.240   4.230
  412   3HD1  ILE  56          3HD1      ILE  56   0.723  -3.579   4.920
  413    H    VAL  57           H        VAL  57  -1.692   1.464   1.648
  414    HA   VAL  57           HA       VAL  57  -1.234   1.438  -1.256
  415    HB   VAL  57           HB       VAL  57  -3.261   2.354  -1.354
  416   1HG1  VAL  57          1HG1      VAL  57  -3.029   3.098   1.582
  417   2HG1  VAL  57          2HG1      VAL  57  -4.483   3.316   0.579
  418   3HG1  VAL  57          3HG1      VAL  57  -3.864   1.679   0.904
  419   1HG2  VAL  57          1HG2      VAL  57  -1.840   4.289  -1.820
  420   2HG2  VAL  57          2HG2      VAL  57  -3.349   4.797  -1.025
  421   3HG2  VAL  57          3HG2      VAL  57  -1.834   4.722  -0.094
  422    H    TRP  58           H        TRP  58   0.119   3.175  -2.087
  423    HA   TRP  58           HA       TRP  58   2.438   3.268  -0.578
  424   1HB   TRP  58          1HB       TRP  58   2.489   3.365  -2.967
  425   2HB   TRP  58          2HB       TRP  58   1.554   4.846  -2.994
  426    HD1  TRP  58           HD1      TRP  58   5.133   3.610  -2.519
  427    HE1  TRP  58           HE1      TRP  58   6.854   5.607  -2.414
  428    HE3  TRP  58           HE3      TRP  58   1.641   7.293  -2.218
  429    HZ2  TRP  58           HZ2      TRP  58   6.569   8.440  -2.221
  430    HZ3  TRP  58           HZ3      TRP  58   2.447   9.648  -2.073
  431    HH2  TRP  58           HH2      TRP  58   4.816  10.247  -2.072
  432    HA   PRO  59           HA       PRO  59   4.002   4.243  -0.235
  433   1HB   PRO  59          1HB       PRO  59   5.624   5.190   1.750
  434   2HB   PRO  59          2HB       PRO  59   5.624   5.838   0.121
  435   1HG   PRO  59          1HG       PRO  59   4.471   7.004   2.581
  436   2HG   PRO  59          2HG       PRO  59   4.856   7.797   1.066
  437   1HD   PRO  59          1HD       PRO  59   2.250   7.034   1.989
  438   2HD   PRO  59          2HD       PRO  59   2.649   7.721   0.428
  439    H    LEU  60           H        LEU  60   5.454   2.824   1.470
  440    HA   LEU  60           HA       LEU  60   3.793   1.816   3.532
  441   1HB   LEU  60          1HB       LEU  60   6.783   1.815   3.117
  442   2HB   LEU  60          2HB       LEU  60   5.985   1.002   4.448
  443    HG   LEU  60           HG       LEU  60   6.062  -0.780   3.086
  444   1HD1  LEU  60          1HD1      LEU  60   3.662  -0.287   3.233
  445   2HD1  LEU  60          2HD1      LEU  60   3.761   0.641   1.717
  446   3HD1  LEU  60          3HD1      LEU  60   4.078  -1.111   1.710
  447   1HD2  LEU  60          1HD2      LEU  60   7.501   0.456   1.473
  448   2HD2  LEU  60          2HD2      LEU  60   6.443  -0.758   0.715
  449   3HD2  LEU  60          3HD2      LEU  60   6.029   0.970   0.614
  450    HA   PRO  61           HA       PRO  61   4.444   4.924   6.552
  451   1HB   PRO  61          1HB       PRO  61   4.178   3.484   8.861
  452   2HB   PRO  61          2HB       PRO  61   2.812   4.090   7.947
  453   1HG   PRO  61          1HG       PRO  61   3.845   1.326   8.125
  454   2HG   PRO  61          2HG       PRO  61   2.272   1.877   7.582
  455   1HD   PRO  61          1HD       PRO  61   4.445   0.996   5.931
  456   2HD   PRO  61          2HD       PRO  61   2.916   1.657   5.386
  457    H    ASN  62           H        ASN  62   6.261   1.927   7.053
  458    HA   ASN  62           HA       ASN  62   7.868   3.489   8.889
  459   1HB   ASN  62          1HB       ASN  62   8.569   1.242   9.780
  460   2HB   ASN  62          2HB       ASN  62   6.831   1.454   9.826
  461   1HD2  ASN  62          1HD2      ASN  62   8.165  -1.826   8.230
  462   2HD2  ASN  62          2HD2      ASN  62   8.781  -0.879   9.543
  463    H    LYS  63           H        LYS  63   7.908   2.720   5.688
  464    HA   LYS  63           HA       LYS  63  10.661   3.256   5.475
  465   1HB   LYS  63          1HB       LYS  63  11.281   1.120   4.280
  466   2HB   LYS  63          2HB       LYS  63  11.118   1.004   6.020
  467   1HG   LYS  63          1HG       LYS  63   8.839   0.065   5.782
  468   2HG   LYS  63          2HG       LYS  63   8.905   0.274   4.044
  469   1HD   LYS  63          1HD       LYS  63  11.056  -1.224   4.151
  470   2HD   LYS  63          2HD       LYS  63  10.514  -1.650   5.762
  471   1HE   LYS  63          1HE       LYS  63   9.540  -3.336   4.418
  472   2HE   LYS  63          2HE       LYS  63   8.218  -2.207   4.643
  473   1HZ   LYS  63          1HZ       LYS  63  10.017  -2.165   2.322
  474   2HZ   LYS  63          2HZ       LYS  63   8.555  -2.890   2.335
  475   3HZ   LYS  63          3HZ       LYS  63   8.665  -1.272   2.521
  476    H    ARG  64           H        ARG  64   8.886   4.868   4.512
  477    HA   ARG  64           HA       ARG  64   8.169   4.314   1.878
  478   1HB   ARG  64          1HB       ARG  64   8.081   6.819   1.650
  479   2HB   ARG  64          2HB       ARG  64   7.243   6.247   3.080
  480   1HG   ARG  64          1HG       ARG  64   8.820   7.132   4.541
  481   2HG   ARG  64          2HG       ARG  64  10.152   6.895   3.427
  482   1HD   ARG  64          1HD       ARG  64   7.990   9.043   3.156
  483   2HD   ARG  64          2HD       ARG  64   9.621   9.318   3.737
  484    HE   ARG  64           HE       ARG  64  10.441   8.613   1.473
  485   1HH1  ARG  64          2HH1      ARG  64   6.950   8.779   1.523
  486   2HH1  ARG  64          1HH1      ARG  64   6.838   9.880   0.190
  487   1HH2  ARG  64          1HH2      ARG  64  10.277   9.608  -0.604
  488   2HH2  ARG  64          2HH2      ARG  64   8.724  10.095  -1.198
  489    H    CYS  65           H        CYS  65   9.228   5.537  -0.068
  490    HA   CYS  65           HA       CYS  65  11.932   4.834  -0.253
  491   1HB   CYS  65          1HB       CYS  65   9.868   5.827  -1.978
  492   2HB   CYS  65          2HB       CYS  65  11.315   6.787  -2.219
  493    H    SER  66           H        SER  66  13.454   5.848   1.035
  494    HA   SER  66           HA       SER  66  13.065   8.500   1.905
  495   1HB   SER  66          1HB       SER  66  15.467   8.185   2.776
  496   2HB   SER  66          2HB       SER  66  14.256   7.078   3.392
  497    HG   SER  66           HG       SER  66  16.261   6.018   2.715
  498   1HN   NH2  67          1H        SER  66  12.900   9.740   0.016
  499   2HN   NH2  67          2H        SER  66  14.255  10.111  -0.998
   
  No H/Q in entry =         499
  Start of MODEL    2
    1   1H    LYS   1          1H        LYS   1 -10.922   2.284   0.694
    2   2H    LYS   1          2H        LYS   1 -11.096   1.776   2.260
    3   3H    LYS   1          3H        LYS   1  -9.831   2.760   1.845
    4    HA   LYS   1           HA       LYS   1  -8.715   0.900   1.859
    5   1HB   LYS   1          1HB       LYS   1  -9.738  -1.314   1.401
    6   2HB   LYS   1          2HB       LYS   1 -10.489  -0.458   2.732
    7   1HG   LYS   1          1HG       LYS   1 -12.499  -0.590   1.698
    8   2HG   LYS   1          2HG       LYS   1 -11.875   0.348   0.355
    9   1HD   LYS   1          1HD       LYS   1 -10.846  -1.873  -0.516
   10   2HD   LYS   1          2HD       LYS   1 -11.846  -2.681   0.675
   11   1HE   LYS   1          1HE       LYS   1 -13.872  -1.502  -0.334
   12   2HE   LYS   1          2HE       LYS   1 -12.825  -0.888  -1.596
   13   1HZ   LYS   1          1HZ       LYS   1 -12.240  -3.226  -2.063
   14   2HZ   LYS   1          2HZ       LYS   1 -13.391  -3.706  -1.008
   15   3HZ   LYS   1          3HZ       LYS   1 -13.807  -2.873  -2.349
   16    H    GLU   2           H        GLU   2  -9.110   2.916  -0.215
   17    HA   GLU   2           HA       GLU   2  -8.241   1.267  -2.443
   18   1HB   GLU   2          1HB       GLU   2 -10.121   3.656  -2.701
   19   2HB   GLU   2          2HB       GLU   2  -9.480   2.711  -4.030
   20   1HG   GLU   2          1HG       GLU   2 -11.498   1.608  -3.777
   21   2HG   GLU   2          2HG       GLU   2 -10.550   0.670  -2.638
   22    H    GLY   3           H        GLY   3  -6.380   2.030  -3.451
   23   1HA   GLY   3          1HA       GLY   3  -5.446   4.725  -2.999
   24   2HA   GLY   3          2HA       GLY   3  -4.636   3.519  -2.019
   25    H    TYR   4           H        TYR   4  -3.047   4.863  -3.791
   26    HA   TYR   4           HA       TYR   4  -2.679   3.382  -6.185
   27   1HB   TYR   4          1HB       TYR   4  -0.890   5.081  -4.340
   28   2HB   TYR   4          2HB       TYR   4  -0.375   4.546  -5.926
   29    HD1  TYR   4           HD1      TYR   4  -2.039   5.198  -7.911
   30    HD2  TYR   4           HD2      TYR   4  -1.839   7.195  -4.134
   31    HE1  TYR   4           HE1      TYR   4  -3.088   7.271  -8.943
   32    HE2  TYR   4           HE2      TYR   4  -2.888   9.262  -5.179
   33    HH   TYR   4           HH       TYR   4  -3.692   9.320  -8.641
   34    H    LEU   5           H        LEU   5  -1.114   1.758  -6.663
   35    HA   LEU   5           HA       LEU   5  -0.689  -0.002  -4.422
   36   1HB   LEU   5          1HB       LEU   5  -1.150  -0.272  -7.182
   37   2HB   LEU   5          2HB       LEU   5   0.472  -0.877  -6.914
   38    HG   LEU   5           HG       LEU   5  -0.408  -2.405  -5.161
   39   1HD1  LEU   5          1HD1      LEU   5  -2.917  -0.939  -5.756
   40   2HD1  LEU   5          2HD1      LEU   5  -3.057  -2.698  -5.518
   41   3HD1  LEU   5          3HD1      LEU   5  -2.341  -1.681  -4.244
   42   1HD2  LEU   5          1HD2      LEU   5  -0.068  -3.176  -7.462
   43   2HD2  LEU   5          2HD2      LEU   5  -1.448  -3.996  -6.691
   44   3HD2  LEU   5          3HD2      LEU   5  -1.732  -2.696  -7.872
   45    H    VAL   6           H        VAL   6   1.804  -1.252  -4.999
   46    HA   VAL   6           HA       VAL   6   3.562   0.831  -4.091
   47    HB   VAL   6           HB       VAL   6   1.933   0.880  -2.316
   48   1HG1  VAL   6          1HG1      VAL   6   0.926  -1.331  -2.639
   49   2HG1  VAL   6          2HG1      VAL   6   2.408  -2.106  -2.029
   50   3HG1  VAL   6          3HG1      VAL   6   1.420  -1.098  -0.946
   51   1HG2  VAL   6          1HG2      VAL   6   4.361   1.076  -1.768
   52   2HG2  VAL   6          2HG2      VAL   6   3.370   0.469  -0.419
   53   3HG2  VAL   6          3HG2      VAL   6   4.372  -0.658  -1.366
   54    H    ASP   7           H        ASP   7   5.672   0.027  -3.681
   55    HA   ASP   7           HA       ASP   7   5.993  -2.759  -4.385
   56   1HB   ASP   7          1HB       ASP   7   7.425  -1.080  -5.519
   57   2HB   ASP   7          2HB       ASP   7   8.008  -0.501  -3.972
   58    H    LYS   8           H        LYS   8   7.182  -4.222  -2.934
   59    HA   LYS   8           HA       LYS   8   6.928  -3.441  -0.153
   60   1HB   LYS   8          1HB       LYS   8   6.572  -5.839  -1.632
   61   2HB   LYS   8          2HB       LYS   8   7.912  -6.119  -0.538
   62   1HG   LYS   8          1HG       LYS   8   6.548  -5.337   1.382
   63   2HG   LYS   8          2HG       LYS   8   5.216  -4.955   0.309
   64   1HD   LYS   8          1HD       LYS   8   4.641  -7.091   1.166
   65   2HD   LYS   8          2HD       LYS   8   5.295  -7.449  -0.419
   66   1HE   LYS   8          1HE       LYS   8   7.492  -8.018   0.572
   67   2HE   LYS   8          2HE       LYS   8   6.925  -7.552   2.164
   68   1HZ   LYS   8          1HZ       LYS   8   5.789  -9.720   0.535
   69   2HZ   LYS   8          2HZ       LYS   8   6.775  -9.916   1.822
   70   3HZ   LYS   8          3HZ       LYS   8   5.280  -9.293   2.027
   71    H    ASN   9           H        ASN   9   9.349  -3.867  -2.673
   72    HA   ASN   9           HA       ASN   9  11.468  -4.362  -0.873
   73   1HB   ASN   9          1HB       ASN   9  11.104  -3.966  -3.808
   74   2HB   ASN   9          2HB       ASN   9  12.654  -3.411  -3.210
   75   1HD2  ASN   9          1HD2      ASN   9  13.749  -6.684  -3.794
   76   2HD2  ASN   9          2HD2      ASN   9  13.691  -5.049  -4.360
   77    H    THR  10           H        THR  10  11.106  -1.671  -3.308
   78    HA   THR  10           HA       THR  10  12.793  -0.018  -1.630
   79    HB   THR  10           HB       THR  10  12.871   1.383  -3.680
   80    HG1  THR  10           HG1      THR  10  11.223  -0.568  -4.996
   81   1HG2  THR  10          1HG2      THR  10  12.889  -1.591  -4.419
   82   2HG2  THR  10          2HG2      THR  10  13.659  -0.280  -5.345
   83   3HG2  THR  10          3HG2      THR  10  14.274  -0.711  -3.731
   84    H    GLY  11           H        GLY  11   9.409  -0.540  -2.127
   85   1HA   GLY  11          1HA       GLY  11   7.565   0.655  -1.655
   86   2HA   GLY  11          2HA       GLY  11   8.533   1.596  -0.538
   87    H    CYS  12           H        CYS  12   9.406   1.362  -3.984
   88    HA   CYS  12           HA       CYS  12   8.459   4.117  -4.302
   89   1HB   CYS  12          1HB       CYS  12  11.068   3.097  -4.572
   90   2HB   CYS  12          2HB       CYS  12  10.500   3.375  -6.206
   91    H    LYS  13           H        LYS  13   6.899   4.368  -6.080
   92    HA   LYS  13           HA       LYS  13   6.747   4.542  -8.281
   93   1HB   LYS  13          1HB       LYS  13   9.269   4.264  -8.193
   94   2HB   LYS  13          2HB       LYS  13   9.026   2.571  -8.569
   95   1HG   LYS  13          1HG       LYS  13   7.751   3.242 -10.640
   96   2HG   LYS  13          2HG       LYS  13   8.078   4.924 -10.273
   97   1HD   LYS  13          1HD       LYS  13  10.590   4.282 -10.262
   98   2HD   LYS  13          2HD       LYS  13  10.101   2.752 -10.962
   99   1HE   LYS  13          1HE       LYS  13   9.506   5.502 -12.158
  100   2HE   LYS  13          2HE       LYS  13  10.763   4.414 -12.710
  101   1HZ   LYS  13          1HZ       LYS  13   8.864   2.769 -12.974
  102   2HZ   LYS  13          2HZ       LYS  13   7.872   4.062 -12.886
  103   3HZ   LYS  13          3HZ       LYS  13   8.987   3.970 -14.075
  104    H    TYR  14           H        TYR  14   4.621   3.581  -8.025
  105    HA   TYR  14           HA       TYR  14   4.603   1.184  -9.704
  106   1HB   TYR  14          1HB       TYR  14   3.696   1.532  -6.953
  107   2HB   TYR  14          2HB       TYR  14   2.266   1.381  -7.955
  108    HD1  TYR  14           HD1      TYR  14   5.302  -0.332  -6.757
  109    HD2  TYR  14           HD2      TYR  14   1.722  -0.713  -9.068
  110    HE1  TYR  14           HE1      TYR  14   5.574  -2.860  -6.776
  111    HE2  TYR  14           HE2      TYR  14   2.006  -3.239  -9.080
  112    HH   TYR  14           HH       TYR  14   4.741  -4.752  -7.384
  113    H    GLU  15           H        GLU  15   3.523   1.680 -11.623
  114    HA   GLU  15           HA       GLU  15   1.689   3.800 -11.752
  115   1HB   GLU  15          1HB       GLU  15   3.314   5.474 -12.788
  116   2HB   GLU  15          2HB       GLU  15   3.453   5.258 -11.054
  117   1HG   GLU  15          1HG       GLU  15   5.365   3.713 -11.363
  118   2HG   GLU  15          2HG       GLU  15   5.193   3.808 -13.105
  119    H    CYS  16           H        CYS  16   1.629   4.675 -14.162
  120    HA   CYS  16           HA       CYS  16   2.637   2.650 -15.987
  121   1HB   CYS  16          1HB       CYS  16   0.256   2.827 -17.091
  122   2HB   CYS  16          2HB       CYS  16   0.612   1.647 -15.844
  123    H    LEU  17           H        LEU  17   3.015   3.524 -18.101
  124    HA   LEU  17           HA       LEU  17   3.286   6.345 -18.192
  125   1HB   LEU  17          1HB       LEU  17   4.209   5.986 -20.368
  126   2HB   LEU  17          2HB       LEU  17   4.856   4.806 -19.246
  127    HG   LEU  17           HG       LEU  17   2.703   3.459 -20.335
  128   1HD1  LEU  17          1HD1      LEU  17   2.343   5.247 -21.977
  129   2HD1  LEU  17          2HD1      LEU  17   4.012   5.043 -22.562
  130   3HD1  LEU  17          3HD1      LEU  17   2.835   3.721 -22.751
  131   1HD2  LEU  17          1HD2      LEU  17   5.602   3.441 -21.219
  132   2HD2  LEU  17          2HD2      LEU  17   4.887   2.505 -19.884
  133   3HD2  LEU  17          3HD2      LEU  17   4.405   2.170 -21.563
  134    H    LYS  18           H        LYS  18   1.976   7.902 -19.076
  135    HA   LYS  18           HA       LYS  18   0.148   8.826 -19.906
  136   1HB   LYS  18          1HB       LYS  18   0.736   7.089 -21.814
  137   2HB   LYS  18          2HB       LYS  18  -0.741   6.313 -21.278
  138   1HG   LYS  18          1HG       LYS  18  -1.773   8.746 -21.417
  139   2HG   LYS  18          2HG       LYS  18  -0.383   9.098 -22.423
  140   1HD   LYS  18          1HD       LYS  18  -1.865   8.385 -24.066
  141   2HD   LYS  18          2HD       LYS  18  -1.111   6.853 -23.679
  142   1HE   LYS  18          1HE       LYS  18  -3.001   6.518 -21.938
  143   2HE   LYS  18          2HE       LYS  18  -3.795   7.896 -22.678
  144   1HZ   LYS  18          1HZ       LYS  18  -3.670   6.709 -24.795
  145   2HZ   LYS  18          2HZ       LYS  18  -3.031   5.408 -24.041
  146   3HZ   LYS  18          3HZ       LYS  18  -4.548   5.895 -23.684
  147    H    LEU  19           H        LEU  19  -1.979   9.191 -19.186
  148    HA   LEU  19           HA       LEU  19  -2.891   7.270 -17.193
  149   1HB   LEU  19          1HB       LEU  19  -4.297   9.042 -16.386
  150   2HB   LEU  19          2HB       LEU  19  -2.634   9.583 -16.505
  151    HG   LEU  19           HG       LEU  19  -4.071  10.217 -18.941
  152   1HD1  LEU  19          1HD1      LEU  19  -5.270  11.293 -16.372
  153   2HD1  LEU  19          2HD1      LEU  19  -5.627  11.879 -18.015
  154   3HD1  LEU  19          3HD1      LEU  19  -6.065  10.218 -17.548
  155   1HD2  LEU  19          1HD2      LEU  19  -1.951  11.230 -18.204
  156   2HD2  LEU  19          2HD2      LEU  19  -3.216  12.446 -18.507
  157   3HD2  LEU  19          3HD2      LEU  19  -2.801  11.991 -16.837
  158    H    GLY  20           H        GLY  20  -5.233   6.696 -17.136
  159   1HA   GLY  20          1HA       GLY  20  -7.349   6.712 -18.195
  160   2HA   GLY  20          2HA       GLY  20  -6.574   6.979 -19.744
  161    H    ASP  21           H        ASP  21  -4.519   5.050 -19.774
  162    HA   ASP  21           HA       ASP  21  -6.192   3.020 -20.742
  163   1HB   ASP  21          1HB       ASP  21  -3.154   3.161 -20.455
  164   2HB   ASP  21          2HB       ASP  21  -3.995   1.920 -21.362
  165    H    ASN  22           H        ASN  22  -7.220   1.922 -18.962
  166    HA   ASN  22           HA       ASN  22  -5.620   1.220 -16.708
  167   1HB   ASN  22          1HB       ASN  22  -7.800   0.264 -15.845
  168   2HB   ASN  22          2HB       ASN  22  -7.935   1.944 -16.326
  169   1HD2  ASN  22          1HD2      ASN  22 -10.617  -0.483 -17.718
  170   2HD2  ASN  22          2HD2      ASN  22  -9.819  -0.417 -16.181
  171    H    ASP  23           H        ASP  23  -4.347  -0.118 -18.634
  172    HA   ASP  23           HA       ASP  23  -5.493  -2.790 -18.632
  173   1HB   ASP  23          1HB       ASP  23  -4.864  -2.148 -20.850
  174   2HB   ASP  23          2HB       ASP  23  -3.374  -1.403 -20.306
  175    H    TYR  24           H        TYR  24  -2.208  -1.190 -18.494
  176    HA   TYR  24           HA       TYR  24  -0.930  -3.368 -17.322
  177   1HB   TYR  24          1HB       TYR  24  -0.431  -0.326 -17.202
  178   2HB   TYR  24          2HB       TYR  24   0.792  -1.528 -16.841
  179    HD1  TYR  24           HD1      TYR  24   1.174  -3.323 -18.802
  180    HD2  TYR  24           HD2      TYR  24  -0.466   0.593 -19.334
  181    HE1  TYR  24           HE1      TYR  24   1.843  -3.368 -21.254
  182    HE2  TYR  24           HE2      TYR  24   0.208   0.534 -21.785
  183    HH   TYR  24           HH       TYR  24   0.990  -0.680 -23.406
  184    H    CYS  25           H        CYS  25  -2.590  -0.513 -15.892
  185    HA   CYS  25           HA       CYS  25  -1.583  -0.913 -13.307
  186   1HB   CYS  25          1HB       CYS  25  -3.996   0.570 -14.352
  187   2HB   CYS  25          2HB       CYS  25  -3.568   0.536 -12.653
  188    H    LEU  26           H        LEU  26  -4.456  -2.075 -15.137
  189    HA   LEU  26           HA       LEU  26  -5.724  -3.361 -13.001
  190   1HB   LEU  26          1HB       LEU  26  -6.184  -2.928 -15.695
  191   2HB   LEU  26          2HB       LEU  26  -5.986  -4.666 -15.598
  192    HG   LEU  26           HG       LEU  26  -7.910  -3.088 -13.870
  193   1HD1  LEU  26          1HD1      LEU  26  -8.412  -4.571 -16.464
  194   2HD1  LEU  26          2HD1      LEU  26  -9.682  -3.989 -15.361
  195   3HD1  LEU  26          3HD1      LEU  26  -8.599  -2.826 -16.162
  196   1HD2  LEU  26          1HD2      LEU  26  -7.221  -5.204 -12.879
  197   2HD2  LEU  26          2HD2      LEU  26  -8.920  -5.275 -13.406
  198   3HD2  LEU  26          3HD2      LEU  26  -7.653  -6.066 -14.375
  199    H    ARG  27           H        ARG  27  -3.211  -4.451 -15.362
  200    HA   ARG  27           HA       ARG  27  -3.267  -7.087 -14.558
  201   1HB   ARG  27          1HB       ARG  27  -1.503  -5.327 -16.171
  202   2HB   ARG  27          2HB       ARG  27  -0.637  -6.651 -15.418
  203   1HG   ARG  27          1HG       ARG  27  -1.363  -7.558 -17.490
  204   2HG   ARG  27          2HG       ARG  27  -2.511  -8.198 -16.331
  205   1HD   ARG  27          1HD       ARG  27  -4.037  -6.206 -16.900
  206   2HD   ARG  27          2HD       ARG  27  -2.931  -5.824 -18.205
  207    HE   ARG  27           HE       ARG  27  -3.522  -8.540 -18.546
  208   1HH1  ARG  27          2HH1      ARG  27  -5.019  -5.425 -19.052
  209   2HH1  ARG  27          1HH1      ARG  27  -6.548  -6.073 -19.544
  210   1HH2  ARG  27          1HH2      ARG  27  -5.460  -9.428 -19.448
  211   2HH2  ARG  27          2HH2      ARG  27  -6.665  -8.350 -20.072
  212    H    GLU  28           H        GLU  28  -1.358  -4.243 -13.433
  213    HA   GLU  28           HA       GLU  28   0.391  -5.658 -11.816
  214   1HB   GLU  28          1HB       GLU  28  -0.455  -2.836 -12.173
  215   2HB   GLU  28          2HB       GLU  28   0.141  -3.200 -10.565
  216   1HG   GLU  28          1HG       GLU  28   2.043  -2.522 -11.912
  217   2HG   GLU  28          2HG       GLU  28   2.199  -4.241 -11.609
  218    H    CYS  29           H        CYS  29  -2.788  -4.070 -11.103
  219    HA   CYS  29           HA       CYS  29  -2.922  -4.651  -8.427
  220   1HB   CYS  29          1HB       CYS  29  -4.550  -3.434 -10.191
  221   2HB   CYS  29          2HB       CYS  29  -5.415  -4.948 -10.013
  222    H    LYS  30           H        LYS  30  -3.606  -6.684 -11.339
  223    HA   LYS  30           HA       LYS  30  -5.012  -8.598  -9.714
  224   1HB   LYS  30          1HB       LYS  30  -5.093  -7.744 -12.407
  225   2HB   LYS  30          2HB       LYS  30  -4.586  -9.421 -12.452
  226   1HG   LYS  30          1HG       LYS  30  -6.519 -10.098 -11.082
  227   2HG   LYS  30          2HG       LYS  30  -6.986  -8.425 -10.846
  228   1HD   LYS  30          1HD       LYS  30  -7.272  -8.208 -13.361
  229   2HD   LYS  30          2HD       LYS  30  -6.938  -9.923 -13.508
  230   1HE   LYS  30          1HE       LYS  30  -9.299  -9.862 -13.438
  231   2HE   LYS  30          2HE       LYS  30  -8.879 -10.255 -11.783
  232   1HZ   LYS  30          1HZ       LYS  30  -9.456  -7.549 -12.777
  233   2HZ   LYS  30          2HZ       LYS  30 -10.479  -8.477 -11.903
  234   3HZ   LYS  30          3HZ       LYS  30  -9.093  -7.932 -11.231
  235    H    GLN  31           H        GLN  31  -1.753  -8.061 -10.872
  236    HA   GLN  31           HA       GLN  31  -1.130 -10.679  -9.759
  237   1HB   GLN  31          1HB       GLN  31   0.663  -8.745 -11.292
  238   2HB   GLN  31          2HB       GLN  31   1.154 -10.316 -10.693
  239   1HG   GLN  31          1HG       GLN  31  -0.346 -11.475 -12.179
  240   2HG   GLN  31          2HG       GLN  31  -1.235 -10.013 -12.554
  241   1HE2  GLN  31          1HE2      GLN  31   1.192  -8.633 -14.776
  242   2HE2  GLN  31          2HE2      GLN  31   0.009  -8.235 -13.576
  243    H    GLN  32           H        GLN  32  -2.084  -8.726  -7.854
  244    HA   GLN  32           HA       GLN  32  -0.261 -10.038  -6.259
  245   1HB   GLN  32          1HB       GLN  32   0.584  -8.045  -4.911
  246   2HB   GLN  32          2HB       GLN  32   1.303  -8.240  -6.497
  247   1HG   GLN  32          1HG       GLN  32  -0.730  -6.641  -7.237
  248   2HG   GLN  32          2HG       GLN  32  -0.676  -6.169  -5.550
  249   1HE2  GLN  32          1HE2      GLN  32   2.560  -5.462  -8.051
  250   2HE2  GLN  32          2HE2      GLN  32   1.389  -6.691  -8.390
  251    H    TYR  33           H        TYR  33  -2.848  -7.553  -6.611
  252    HA   TYR  33           HA       TYR  33  -4.219  -9.098  -4.524
  253   1HB   TYR  33          1HB       TYR  33  -4.924  -6.580  -6.159
  254   2HB   TYR  33          2HB       TYR  33  -5.942  -7.242  -4.895
  255    HD1  TYR  33           HD1      TYR  33  -2.836  -5.401  -5.612
  256    HD2  TYR  33           HD2      TYR  33  -5.374  -6.956  -2.538
  257    HE1  TYR  33           HE1      TYR  33  -1.626  -3.982  -3.885
  258    HE2  TYR  33           HE2      TYR  33  -4.154  -5.531  -0.822
  259    HH   TYR  33           HH       TYR  33  -1.752  -3.169  -1.819
  260    H    GLY  34           H        GLY  34  -3.568 -10.593  -6.774
  261   1HA   GLY  34          1HA       GLY  34  -5.342 -10.532  -8.908
  262   2HA   GLY  34          2HA       GLY  34  -4.510 -11.948  -8.296
  263    H    LYS  35           H        LYS  35  -5.933 -11.246  -5.537
  264    HA   LYS  35           HA       LYS  35  -8.227 -12.875  -5.976
  265   1HB   LYS  35          1HB       LYS  35  -7.293 -11.297  -3.561
  266   2HB   LYS  35          2HB       LYS  35  -8.650 -12.405  -3.564
  267   1HG   LYS  35          1HG       LYS  35  -7.214 -14.114  -3.179
  268   2HG   LYS  35          2HG       LYS  35  -6.511 -13.847  -4.761
  269   1HD   LYS  35          1HD       LYS  35  -4.660 -13.647  -3.289
  270   2HD   LYS  35          2HD       LYS  35  -5.086 -11.984  -3.642
  271   1HE   LYS  35          1HE       LYS  35  -6.629 -12.202  -1.492
  272   2HE   LYS  35          2HE       LYS  35  -5.602 -13.569  -1.109
  273   1HZ   LYS  35          1HZ       LYS  35  -3.697 -12.068  -1.370
  274   2HZ   LYS  35          2HZ       LYS  35  -4.716 -10.808  -1.575
  275   3HZ   LYS  35          3HZ       LYS  35  -4.693 -11.618  -0.157
  276    H    GLY  36           H        GLY  36  -8.777 -11.101  -7.868
  277   1HA   GLY  36          1HA       GLY  36 -10.920 -10.615  -8.446
  278   2HA   GLY  36          2HA       GLY  36 -11.392 -10.644  -6.759
  279    H    ALA  37           H        ALA  37  -8.655  -8.679  -7.983
  280    HA   ALA  37           HA       ALA  37 -10.114  -6.364  -6.922
  281   1HB   ALA  37          1HB       ALA  37  -7.978  -7.229  -5.802
  282   2HB   ALA  37          2HB       ALA  37  -7.112  -6.676  -7.256
  283   3HB   ALA  37          3HB       ALA  37  -7.994  -5.505  -6.246
  284    H    GLY  38           H        GLY  38  -8.731  -4.257  -7.951
  285   1HA   GLY  38          1HA       GLY  38  -8.314  -4.393 -10.748
  286   2HA   GLY  38          2HA       GLY  38  -9.976  -3.949 -10.414
  287    H    GLY  39           H        GLY  39  -8.979  -1.897 -11.617
  288   1HA   GLY  39          1HA       GLY  39  -8.135   0.205 -10.026
  289   2HA   GLY  39          2HA       GLY  39  -6.692  -0.708 -10.423
  290    H    TYR  40           H        TYR  40  -6.599   1.754 -11.415
  291    HA   TYR  40           HA       TYR  40  -6.635   1.233 -14.236
  292   1HB   TYR  40          1HB       TYR  40  -7.963   3.460 -14.547
  293   2HB   TYR  40          2HB       TYR  40  -8.911   2.093 -13.994
  294    HD1  TYR  40           HD1      TYR  40  -7.262   5.233 -12.908
  295    HD2  TYR  40           HD2      TYR  40  -9.981   2.103 -11.849
  296    HE1  TYR  40           HE1      TYR  40  -8.032   6.574 -10.890
  297    HE2  TYR  40           HE2      TYR  40 -10.741   3.454  -9.835
  298    HH   TYR  40           HH       TYR  40  -9.265   6.607  -9.118
  299    H    CYS  41           H        CYS  41  -5.986   3.565 -15.345
  300    HA   CYS  41           HA       CYS  41  -3.566   4.218 -13.859
  301   1HB   CYS  41          1HB       CYS  41  -4.297   4.334 -16.777
  302   2HB   CYS  41          2HB       CYS  41  -2.916   5.211 -16.150
  303    H    TYR  42           H        TYR  42  -3.998   5.985 -12.512
  304    HA   TYR  42           HA       TYR  42  -5.435   8.257 -13.553
  305   1HB   TYR  42          1HB       TYR  42  -4.441   7.142 -11.060
  306   2HB   TYR  42          2HB       TYR  42  -3.673   8.706 -11.247
  307    HD1  TYR  42           HD1      TYR  42  -5.960  10.129 -12.688
  308    HD2  TYR  42           HD2      TYR  42  -5.891   7.599  -9.238
  309    HE1  TYR  42           HE1      TYR  42  -8.060  11.259 -11.807
  310    HE2  TYR  42           HE2      TYR  42  -7.991   8.738  -8.369
  311    HH   TYR  42           HH       TYR  42  -9.485  10.252  -8.709
  312    H    ALA  43           H        ALA  43  -3.847  10.385 -12.592
  313    HA   ALA  43           HA       ALA  43  -2.131  10.894 -14.691
  314   1HB   ALA  43          1HB       ALA  43  -2.157  11.982 -11.846
  315   2HB   ALA  43          2HB       ALA  43  -1.293  12.722 -13.216
  316   3HB   ALA  43          3HB       ALA  43  -3.070  12.622 -13.235
  317    H    PHE  44           H        PHE  44  -0.871   8.949 -15.041
  318    HA   PHE  44           HA       PHE  44   0.970   7.739 -14.882
  319   1HB   PHE  44          1HB       PHE  44   2.028  10.146 -13.290
  320   2HB   PHE  44          2HB       PHE  44   2.984   9.062 -14.282
  321    HD1  PHE  44           HD1      PHE  44   2.280   8.980 -16.828
  322    HD2  PHE  44           HD2      PHE  44   1.373  12.174 -14.185
  323    HE1  PHE  44           HE1      PHE  44   1.996  10.523 -18.788
  324    HE2  PHE  44           HE2      PHE  44   1.089  13.716 -16.144
  325    HZ   PHE  44           HZ       PHE  44   1.404  12.871 -18.422
  326    H    ALA  45           H        ALA  45  -0.908   7.157 -12.825
  327    HA   ALA  45           HA       ALA  45   0.914   5.743 -11.146
  328   1HB   ALA  45          1HB       ALA  45  -0.911   7.863  -9.947
  329   2HB   ALA  45          2HB       ALA  45  -0.092   6.592  -9.009
  330   3HB   ALA  45          3HB       ALA  45   0.867   7.815  -9.876
  331    H    CYS  46           H        CYS  46  -0.202   3.999  -9.975
  332    HA   CYS  46           HA       CYS  46  -2.540   3.302 -11.574
  333   1HB   CYS  46          1HB       CYS  46  -0.419   1.639 -10.221
  334   2HB   CYS  46          2HB       CYS  46  -1.917   0.943 -10.806
  335    H    TRP  47           H        TRP  47  -4.411   3.788 -10.451
  336    HA   TRP  47           HA       TRP  47  -4.375   3.505  -7.549
  337   1HB   TRP  47          1HB       TRP  47  -5.179   5.608  -8.412
  338   2HB   TRP  47          2HB       TRP  47  -6.334   4.798  -9.453
  339    HD1  TRP  47           HD1      TRP  47  -8.396   3.436  -8.055
  340    HE1  TRP  47           HE1      TRP  47  -9.682   4.038  -5.831
  341    HE3  TRP  47           HE3      TRP  47  -4.898   6.676  -6.289
  342    HZ2  TRP  47           HZ2      TRP  47  -9.106   5.763  -3.632
  343    HZ3  TRP  47           HZ3      TRP  47  -5.336   7.776  -4.096
  344    HH2  TRP  47           HH2      TRP  47  -7.355   7.365  -2.779
  345    H    CYS  48           H        CYS  48  -5.076   1.603  -6.674
  346    HA   CYS  48           HA       CYS  48  -6.807  -0.070  -8.309
  347   1HB   CYS  48          1HB       CYS  48  -5.086  -0.584  -5.898
  348   2HB   CYS  48          2HB       CYS  48  -6.371  -1.694  -6.334
  349    H    THR  49           H        THR  49  -8.851  -0.894  -7.358
  350    HA   THR  49           HA       THR  49  -9.944   0.736  -5.223
  351    HB   THR  49           HB       THR  49 -10.077   2.302  -7.093
  352    HG1  THR  49           HG1      THR  49 -12.340   2.477  -6.913
  353   1HG2  THR  49          1HG2      THR  49 -11.037  -0.161  -8.588
  354   2HG2  THR  49          2HG2      THR  49 -11.634   1.445  -9.069
  355   3HG2  THR  49          3HG2      THR  49  -9.890   1.090  -9.123
  356    H    HIS  50           H        HIS  50  -9.425  -2.132  -5.679
  357    HA   HIS  50           HA       HIS  50 -12.049  -2.857  -4.787
  358   1HB   HIS  50          1HB       HIS  50 -10.858  -4.056  -7.291
  359   2HB   HIS  50          2HB       HIS  50 -12.028  -4.922  -6.315
  360    HD1  HIS  50           HD1      HIS  50 -14.384  -3.458  -5.895
  361    HD2  HIS  50           HD2      HIS  50 -11.999  -2.469  -9.200
  362    HE1  HIS  50           HE1      HIS  50 -15.885  -2.159  -7.496
  363    H    LEU  51           H        LEU  51  -9.363  -2.474  -3.644
  364    HA   LEU  51           HA       LEU  51  -8.313  -5.048  -3.087
  365   1HB   LEU  51          1HB       LEU  51  -8.049  -2.494  -1.498
  366   2HB   LEU  51          2HB       LEU  51  -7.024  -3.911  -1.389
  367    HG   LEU  51           HG       LEU  51  -5.716  -2.533  -2.665
  368   1HD1  LEU  51          1HD1      LEU  51  -6.288  -4.700  -3.874
  369   2HD1  LEU  51          2HD1      LEU  51  -7.330  -3.715  -4.927
  370   3HD1  LEU  51          3HD1      LEU  51  -5.581  -3.392  -4.854
  371   1HD2  LEU  51          1HD2      LEU  51  -7.882  -0.942  -2.887
  372   2HD2  LEU  51          2HD2      LEU  51  -6.370  -0.690  -3.793
  373   3HD2  LEU  51          3HD2      LEU  51  -7.746  -1.511  -4.568
  374    H    TYR  52           H        TYR  52  -8.246  -5.794  -0.632
  375    HA   TYR  52           HA       TYR  52 -10.903  -5.366   0.549
  376   1HB   TYR  52          1HB       TYR  52  -9.476  -7.346   1.969
  377   2HB   TYR  52          2HB       TYR  52 -10.652  -7.679   0.714
  378    HD1  TYR  52           HD1      TYR  52  -9.816  -7.883  -1.707
  379    HD2  TYR  52           HD2      TYR  52  -7.200  -7.914   1.678
  380    HE1  TYR  52           HE1      TYR  52  -7.998  -8.969  -3.113
  381    HE2  TYR  52           HE2      TYR  52  -5.390  -9.000   0.260
  382    HH   TYR  52           HH       TYR  52  -5.891  -9.535  -3.202
  383    H    GLU  53           H        GLU  53 -10.341  -6.012   3.198
  384    HA   GLU  53           HA       GLU  53  -9.494  -3.670   4.249
  385   1HB   GLU  53          1HB       GLU  53  -9.484  -6.490   5.382
  386   2HB   GLU  53          2HB       GLU  53  -9.031  -5.110   6.362
  387   1HG   GLU  53          1HG       GLU  53 -11.224  -4.047   5.956
  388   2HG   GLU  53          2HG       GLU  53 -11.678  -5.330   4.853
  389    H    GLN  54           H        GLN  54  -7.569  -6.386   3.042
  390    HA   GLN  54           HA       GLN  54  -5.196  -5.299   4.282
  391   1HB   GLN  54          1HB       GLN  54  -6.061  -7.912   3.559
  392   2HB   GLN  54          2HB       GLN  54  -4.707  -7.555   2.505
  393   1HG   GLN  54          1HG       GLN  54  -3.312  -6.940   4.473
  394   2HG   GLN  54          2HG       GLN  54  -4.668  -7.232   5.544
  395   1HE2  GLN  54          1HE2      GLN  54  -4.519 -10.743   5.498
  396   2HE2  GLN  54          2HE2      GLN  54  -5.497  -9.343   5.787
  397    H    ALA  55           H        ALA  55  -6.704  -3.846   2.050
  398    HA   ALA  55           HA       ALA  55  -4.891  -3.470  -0.003
  399   1HB   ALA  55          1HB       ALA  55  -7.095  -2.283   0.448
  400   2HB   ALA  55          2HB       ALA  55  -6.224  -1.289   1.641
  401   3HB   ALA  55          3HB       ALA  55  -5.757  -1.232  -0.076
  402    H    ILE  56           H        ILE  56  -2.662  -3.347   0.149
  403    HA   ILE  56           HA       ILE  56  -1.749  -1.322   2.070
  404    HB   ILE  56           HB       ILE  56  -0.064  -3.285   0.518
  405   1HG1  ILE  56          1HG1      ILE  56   0.045  -4.023   3.186
  406   2HG1  ILE  56          2HG1      ILE  56  -1.654  -3.657   2.953
  407   1HG2  ILE  56          1HG2      ILE  56   1.060  -1.202   1.223
  408   2HG2  ILE  56          2HG2      ILE  56   0.602  -1.545   2.909
  409   3HG2  ILE  56          3HG2      ILE  56   1.705  -2.644   2.045
  410   1HD1  ILE  56          1HD1      ILE  56  -1.675  -5.137   0.921
  411   2HD1  ILE  56          2HD1      ILE  56   0.024  -5.555   1.250
  412   3HD1  ILE  56          3HD1      ILE  56  -1.245  -6.014   2.410
  413    H    VAL  57           H        VAL  57  -0.763   0.576   1.288
  414    HA   VAL  57           HA       VAL  57  -1.016   0.962  -1.594
  415    HB   VAL  57           HB       VAL  57  -3.068   1.766  -1.300
  416   1HG1  VAL  57          1HG1      VAL  57  -2.450   2.039   1.659
  417   2HG1  VAL  57          2HG1      VAL  57  -4.028   2.411   0.922
  418   3HG1  VAL  57          3HG1      VAL  57  -3.387   0.752   0.862
  419   1HG2  VAL  57          1HG2      VAL  57  -1.581   4.015   0.098
  420   2HG2  VAL  57          2HG2      VAL  57  -1.827   3.837  -1.656
  421   3HG2  VAL  57          3HG2      VAL  57  -3.219   4.128  -0.588
  422    H    TRP  58           H        TRP  58   0.143   2.834  -2.372
  423    HA   TRP  58           HA       TRP  58   2.505   3.242  -0.831
  424   1HB   TRP  58          1HB       TRP  58   2.478   2.971  -3.286
  425   2HB   TRP  58          2HB       TRP  58   1.627   4.495  -3.439
  426    HD1  TRP  58           HD1      TRP  58   5.118   3.131  -2.508
  427    HE1  TRP  58           HE1      TRP  58   6.951   5.024  -2.658
  428    HE3  TRP  58           HE3      TRP  58   1.859   6.951  -3.302
  429    HZ2  TRP  58           HZ2      TRP  58   6.834   7.843  -3.083
  430    HZ3  TRP  58           HZ3      TRP  58   2.801   9.244  -3.575
  431    HH2  TRP  58           HH2      TRP  58   5.196   9.720  -3.476
  432    HA   PRO  59           HA       PRO  59   3.873   4.373  -0.434
  433   1HB   PRO  59          1HB       PRO  59   5.250   5.942   1.330
  434   2HB   PRO  59          2HB       PRO  59   5.332   6.154  -0.407
  435   1HG   PRO  59          1HG       PRO  59   3.895   7.788   1.595
  436   2HG   PRO  59          2HG       PRO  59   4.341   8.206  -0.048
  437   1HD   PRO  59          1HD       PRO  59   1.734   7.455   0.885
  438   2HD   PRO  59          2HD       PRO  59   2.206   7.761  -0.774
  439    H    LEU  60           H        LEU  60   5.289   3.570   1.565
  440    HA   LEU  60           HA       LEU  60   3.277   2.584   3.420
  441   1HB   LEU  60          1HB       LEU  60   6.154   1.775   3.464
  442   2HB   LEU  60          2HB       LEU  60   4.727   0.860   3.908
  443    HG   LEU  60           HG       LEU  60   4.411   1.375   1.167
  444   1HD1  LEU  60          1HD1      LEU  60   7.280   0.637   1.800
  445   2HD1  LEU  60          2HD1      LEU  60   6.514   0.456   0.204
  446   3HD1  LEU  60          3HD1      LEU  60   6.697   2.074   0.925
  447   1HD2  LEU  60          1HD2      LEU  60   5.357  -1.100   2.637
  448   2HD2  LEU  60          2HD2      LEU  60   3.678  -0.637   2.270
  449   3HD2  LEU  60          3HD2      LEU  60   4.790  -1.068   0.949
  450    HA   PRO  61           HA       PRO  61   4.285   5.248   6.531
  451   1HB   PRO  61          1HB       PRO  61   3.863   3.807   8.814
  452   2HB   PRO  61          2HB       PRO  61   2.563   4.455   7.837
  453   1HG   PRO  61          1HG       PRO  61   3.504   1.662   8.050
  454   2HG   PRO  61          2HG       PRO  61   1.977   2.262   7.433
  455   1HD   PRO  61          1HD       PRO  61   4.204   1.324   5.887
  456   2HD   PRO  61          2HD       PRO  61   2.723   2.032   5.270
  457    H    ASN  62           H        ASN  62   5.975   2.197   7.089
  458    HA   ASN  62           HA       ASN  62   7.669   3.712   8.892
  459   1HB   ASN  62          1HB       ASN  62   8.267   1.453   9.827
  460   2HB   ASN  62          2HB       ASN  62   6.542   1.755   9.892
  461   1HD2  ASN  62          1HD2      ASN  62   7.544  -1.660   8.454
  462   2HD2  ASN  62          2HD2      ASN  62   8.132  -0.735   9.794
  463    H    LYS  63           H        LYS  63   7.608   2.826   5.709
  464    HA   LYS  63           HA       LYS  63  10.381   3.239   5.435
  465   1HB   LYS  63          1HB       LYS  63  10.923   1.060   4.329
  466   2HB   LYS  63          2HB       LYS  63  10.692   0.963   6.063
  467   1HG   LYS  63          1HG       LYS  63   8.627  -0.148   5.874
  468   2HG   LYS  63          2HG       LYS  63   8.297   0.505   4.282
  469   1HD   LYS  63          1HD       LYS  63  10.616  -1.411   4.730
  470   2HD   LYS  63          2HD       LYS  63   8.989  -2.012   4.474
  471   1HE   LYS  63          1HE       LYS  63   8.850  -0.928   2.288
  472   2HE   LYS  63          2HE       LYS  63  10.347  -0.058   2.561
  473   1HZ   LYS  63          1HZ       LYS  63  11.357  -2.348   2.796
  474   2HZ   LYS  63          2HZ       LYS  63   9.989  -2.924   2.114
  475   3HZ   LYS  63          3HZ       LYS  63  10.934  -1.875   1.292
  476    H    ARG  64           H        ARG  64   8.589   4.877   4.479
  477    HA   ARG  64           HA       ARG  64   7.752   4.320   1.904
  478   1HB   ARG  64          1HB       ARG  64   7.770   6.801   1.608
  479   2HB   ARG  64          2HB       ARG  64   7.051   6.345   3.139
  480   1HG   ARG  64          1HG       ARG  64   9.071   6.914   4.363
  481   2HG   ARG  64          2HG       ARG  64  10.000   7.074   2.885
  482   1HD   ARG  64          1HD       ARG  64   8.602   9.028   2.203
  483   2HD   ARG  64          2HD       ARG  64   7.640   8.860   3.658
  484    HE   ARG  64           HE       ARG  64   9.440   9.709   4.955
  485   1HH1  ARG  64          2HH1      ARG  64  10.640   8.894   1.760
  486   2HH1  ARG  64          1HH1      ARG  64  11.934  10.046   1.803
  487   1HH2  ARG  64          1HH2      ARG  64  11.184  11.203   5.045
  488   2HH2  ARG  64          2HH2      ARG  64  12.323  11.267   3.742
  489    H    CYS  65           H        CYS  65   8.770   5.261  -0.163
  490    HA   CYS  65           HA       CYS  65  11.388   4.542  -0.565
  491   1HB   CYS  65          1HB       CYS  65   9.574   5.095  -2.267
  492   2HB   CYS  65          2HB       CYS  65  10.001   6.780  -2.040
  493    H    SER  66           H        SER  66  13.389   5.651  -0.387
  494    HA   SER  66           HA       SER  66  13.491   7.457   1.709
  495   1HB   SER  66          1HB       SER  66  15.905   7.590   1.200
  496   2HB   SER  66          2HB       SER  66  15.342   5.931   1.137
  497    HG   SER  66           HG       SER  66  16.696   6.414  -0.684
  498   1HN   NH2  67          1H        SER  66  14.326   7.907  -1.749
  499   2HN   NH2  67          2H        SER  66  14.088   9.621  -1.801
   
  No H/Q in entry =         499
  Start of MODEL    3
    1   1H    LYS   1          1H        LYS   1 -10.550  -0.606   0.564
    2   2H    LYS   1          2H        LYS   1 -11.340  -0.137   1.942
    3   3H    LYS   1          3H        LYS   1 -11.393   0.819   0.591
    4    HA   LYS   1           HA       LYS   1  -9.936   1.860   1.959
    5   1HB   LYS   1          1HB       LYS   1  -9.740  -0.189   3.451
    6   2HB   LYS   1          2HB       LYS   1  -8.475  -0.757   2.380
    7   1HG   LYS   1          1HG       LYS   1  -7.078   1.166   2.848
    8   2HG   LYS   1          2HG       LYS   1  -8.390   2.018   3.637
    9   1HD   LYS   1          1HD       LYS   1  -7.062   1.173   5.430
   10   2HD   LYS   1          2HD       LYS   1  -8.439   0.091   5.355
   11   1HE   LYS   1          1HE       LYS   1  -7.079  -1.510   3.964
   12   2HE   LYS   1          2HE       LYS   1  -5.700  -0.437   4.105
   13   1HZ   LYS   1          1HZ       LYS   1  -7.090  -1.495   6.459
   14   2HZ   LYS   1          2HZ       LYS   1  -5.845  -2.282   5.753
   15   3HZ   LYS   1          3HZ       LYS   1  -5.615  -0.798   6.396
   16    H    GLU   2           H        GLU   2  -9.911   2.543  -0.422
   17    HA   GLU   2           HA       GLU   2  -8.239   0.846  -2.038
   18   1HB   GLU   2          1HB       GLU   2  -9.990   3.185  -2.905
   19   2HB   GLU   2          2HB       GLU   2  -9.305   1.952  -3.945
   20   1HG   GLU   2          1HG       GLU   2 -11.513   1.654  -1.879
   21   2HG   GLU   2          2HG       GLU   2 -11.568   1.267  -3.587
   22    H    GLY   3           H        GLY   3  -6.529   1.679  -3.431
   23   1HA   GLY   3          1HA       GLY   3  -5.761   4.382  -3.494
   24   2HA   GLY   3          2HA       GLY   3  -4.843   3.571  -2.239
   25    H    TYR   4           H        TYR   4  -3.023   4.216  -3.815
   26    HA   TYR   4           HA       TYR   4  -2.698   2.779  -6.209
   27   1HB   TYR   4          1HB       TYR   4  -0.815   3.987  -4.089
   28   2HB   TYR   4          2HB       TYR   4  -0.231   3.411  -5.638
   29    HD1  TYR   4           HD1      TYR   4  -1.966   4.400  -7.647
   30    HD2  TYR   4           HD2      TYR   4  -0.857   6.296  -3.977
   31    HE1  TYR   4           HE1      TYR   4  -2.449   6.677  -8.670
   32    HE2  TYR   4           HE2      TYR   4  -1.343   8.567  -5.012
   33    HH   TYR   4           HH       TYR   4  -1.739   8.989  -8.327
   34    H    LEU   5           H        LEU   5  -1.048   1.033  -6.608
   35    HA   LEU   5           HA       LEU   5  -0.801  -0.824  -4.411
   36   1HB   LEU   5          1HB       LEU   5  -0.450  -0.838  -7.306
   37   2HB   LEU   5          2HB       LEU   5   0.857  -1.656  -6.471
   38    HG   LEU   5           HG       LEU   5  -0.716  -3.153  -5.368
   39   1HD1  LEU   5          1HD1      LEU   5  -2.783  -1.371  -6.629
   40   2HD1  LEU   5          2HD1      LEU   5  -3.154  -3.070  -6.253
   41   3HD1  LEU   5          3HD1      LEU   5  -2.659  -1.959  -4.953
   42   1HD2  LEU   5          1HD2      LEU   5  -1.122  -2.959  -8.363
   43   2HD2  LEU   5          2HD2      LEU   5   0.143  -3.868  -7.503
   44   3HD2  LEU   5          3HD2      LEU   5  -1.560  -4.364  -7.362
   45    H    VAL   6           H        VAL   6   1.587  -1.745  -4.117
   46    HA   VAL   6           HA       VAL   6   3.539   0.367  -4.056
   47    HB   VAL   6           HB       VAL   6   2.120   0.987  -2.183
   48   1HG1  VAL   6          1HG1      VAL   6   1.142  -1.240  -1.736
   49   2HG1  VAL   6          2HG1      VAL   6   2.698  -1.774  -1.057
   50   3HG1  VAL   6          3HG1      VAL   6   1.779  -0.474  -0.261
   51   1HG2  VAL   6          1HG2      VAL   6   4.629   1.220  -2.079
   52   2HG2  VAL   6          2HG2      VAL   6   3.811   1.162  -0.499
   53   3HG2  VAL   6          3HG2      VAL   6   4.660  -0.276  -1.114
   54    H    ASP   7           H        ASP   7   5.653  -0.455  -3.688
   55    HA   ASP   7           HA       ASP   7   5.798  -3.329  -3.619
   56   1HB   ASP   7          1HB       ASP   7   7.287  -2.280  -5.193
   57   2HB   ASP   7          2HB       ASP   7   7.817  -1.091  -4.020
   58    H    LYS   8           H        LYS   8   6.380  -4.457  -1.712
   59    HA   LYS   8           HA       LYS   8   5.972  -2.988   0.650
   60   1HB   LYS   8          1HB       LYS   8   6.325  -5.818  -0.139
   61   2HB   LYS   8          2HB       LYS   8   6.828  -5.441   1.497
   62   1HG   LYS   8          1HG       LYS   8   4.164  -4.422   0.459
   63   2HG   LYS   8          2HG       LYS   8   4.308  -6.074   1.028
   64   1HD   LYS   8          1HD       LYS   8   5.137  -5.273   3.228
   65   2HD   LYS   8          2HD       LYS   8   5.088  -3.615   2.666
   66   1HE   LYS   8          1HE       LYS   8   3.064  -3.963   3.933
   67   2HE   LYS   8          2HE       LYS   8   2.586  -3.908   2.248
   68   1HZ   LYS   8          1HZ       LYS   8   3.151  -6.421   3.651
   69   2HZ   LYS   8          2HZ       LYS   8   1.657  -5.771   3.557
   70   3HZ   LYS   8          3HZ       LYS   8   2.431  -6.238   2.198
   71    H    ASN   9           H        ASN   9   8.822  -3.846  -1.207
   72    HA   ASN   9           HA       ASN   9  10.593  -3.896   0.963
   73   1HB   ASN   9          1HB       ASN   9  10.751  -3.912  -2.021
   74   2HB   ASN   9          2HB       ASN   9  12.159  -3.226  -1.234
   75   1HD2  ASN   9          1HD2      ASN   9  13.399  -6.494  -1.141
   76   2HD2  ASN   9          2HD2      ASN   9  13.443  -4.936  -1.895
   77    H    THR  10           H        THR  10  10.575  -1.582  -1.862
   78    HA   THR  10           HA       THR  10  11.860   0.359  -0.092
   79    HB   THR  10           HB       THR  10  12.368   1.380  -2.451
   80    HG1  THR  10           HG1      THR  10  12.070  -0.369  -4.091
   81   1HG2  THR  10          1HG2      THR  10  14.009  -0.094  -1.125
   82   2HG2  THR  10          2HG2      THR  10  13.345  -1.486  -2.015
   83   3HG2  THR  10          3HG2      THR  10  14.182  -0.184  -2.895
   84    H    GLY  11           H        GLY  11   8.765  -0.343  -1.426
   85   1HA   GLY  11          1HA       GLY  11   6.960   0.888  -1.957
   86   2HA   GLY  11          2HA       GLY  11   7.602   2.174  -0.957
   87    H    CYS  12           H        CYS  12   9.265   0.725  -3.809
   88    HA   CYS  12           HA       CYS  12   8.834   3.245  -5.216
   89   1HB   CYS  12          1HB       CYS  12  11.077   1.553  -4.964
   90   2HB   CYS  12          2HB       CYS  12  10.528   1.380  -6.620
   91    H    LYS  13           H        LYS  13   8.960   2.378  -7.869
   92    HA   LYS  13           HA       LYS  13   7.936   1.316  -9.513
   93   1HB   LYS  13          1HB       LYS  13   7.184  -0.778  -7.452
   94   2HB   LYS  13          2HB       LYS  13   7.070  -0.961  -9.191
   95   1HG   LYS  13          1HG       LYS  13   9.289  -1.427  -9.381
   96   2HG   LYS  13          2HG       LYS  13   9.740  -0.025  -8.432
   97   1HD   LYS  13          1HD       LYS  13   9.300  -1.266  -6.330
   98   2HD   LYS  13          2HD       LYS  13   8.749  -2.658  -7.241
   99   1HE   LYS  13          1HE       LYS  13  11.016  -2.855  -8.300
  100   2HE   LYS  13          2HE       LYS  13  11.565  -1.476  -7.368
  101   1HZ   LYS  13          1HZ       LYS  13  11.077  -2.711  -5.364
  102   2HZ   LYS  13          2HZ       LYS  13  10.565  -3.996  -6.233
  103   3HZ   LYS  13          3HZ       LYS  13  12.131  -3.535  -6.300
  104    H    TYR  14           H        TYR  14   5.509   0.287 -10.029
  105    HA   TYR  14           HA       TYR  14   3.570   1.206 -10.617
  106   1HB   TYR  14          1HB       TYR  14   3.493   1.808  -7.596
  107   2HB   TYR  14          2HB       TYR  14   2.085   1.613  -8.621
  108    HD1  TYR  14           HD1      TYR  14   1.733  -0.696  -9.740
  109    HD2  TYR  14           HD2      TYR  14   4.418  -0.042  -6.474
  110    HE1  TYR  14           HE1      TYR  14   1.692  -3.180  -9.199
  111    HE2  TYR  14           HE2      TYR  14   4.367  -2.528  -5.944
  112    HH   TYR  14           HH       TYR  14   3.550  -4.457  -6.449
  113    H    GLU  15           H        GLU  15   4.192   3.025 -11.861
  114    HA   GLU  15           HA       GLU  15   3.919   5.558 -10.602
  115   1HB   GLU  15          1HB       GLU  15   6.319   6.224 -11.421
  116   2HB   GLU  15          2HB       GLU  15   6.142   5.405  -9.883
  117   1HG   GLU  15          1HG       GLU  15   6.599   3.207 -11.030
  118   2HG   GLU  15          2HG       GLU  15   6.841   4.064 -12.539
  119    H    CYS  16           H        CYS  16   2.265   5.837 -12.325
  120    HA   CYS  16           HA       CYS  16   3.039   4.447 -14.738
  121   1HB   CYS  16          1HB       CYS  16   0.997   3.778 -13.570
  122   2HB   CYS  16          2HB       CYS  16   0.335   5.389 -13.762
  123    H    LEU  17           H        LEU  17   4.402   6.130 -15.704
  124    HA   LEU  17           HA       LEU  17   3.502   8.640 -16.427
  125   1HB   LEU  17          1HB       LEU  17   5.268   6.673 -17.885
  126   2HB   LEU  17          2HB       LEU  17   5.038   8.338 -18.381
  127    HG   LEU  17           HG       LEU  17   6.117   7.538 -15.667
  128   1HD1  LEU  17          1HD1      LEU  17   7.622   6.707 -17.392
  129   2HD1  LEU  17          2HD1      LEU  17   7.657   8.313 -18.160
  130   3HD1  LEU  17          3HD1      LEU  17   8.345   8.089 -16.534
  131   1HD2  LEU  17          1HD2      LEU  17   5.910  10.174 -17.130
  132   2HD2  LEU  17          2HD2      LEU  17   5.228   9.725 -15.549
  133   3HD2  LEU  17          3HD2      LEU  17   6.988   9.917 -15.738
  134    H    LYS  18           H        LYS  18   2.310   9.460 -18.210
  135    HA   LYS  18           HA       LYS  18   0.454   9.496 -19.403
  136   1HB   LYS  18          1HB       LYS  18   1.915   8.123 -20.934
  137   2HB   LYS  18          2HB       LYS  18   1.146   6.684 -20.293
  138   1HG   LYS  18          1HG       LYS  18  -1.115   7.826 -20.914
  139   2HG   LYS  18          2HG       LYS  18  -0.153   8.954 -21.850
  140   1HD   LYS  18          1HD       LYS  18   0.797   7.104 -23.185
  141   2HD   LYS  18          2HD       LYS  18  -0.036   5.921 -22.195
  142   1HE   LYS  18          1HE       LYS  18  -2.229   7.185 -22.890
  143   2HE   LYS  18          2HE       LYS  18  -1.246   7.924 -24.139
  144   1HZ   LYS  18          1HZ       LYS  18  -0.666   5.714 -24.898
  145   2HZ   LYS  18          2HZ       LYS  18  -1.594   5.032 -23.740
  146   3HZ   LYS  18          3HZ       LYS  18  -2.285   5.925 -24.921
  147    H    LEU  19           H        LEU  19  -0.566   9.557 -17.193
  148    HA   LEU  19           HA       LEU  19  -1.894   7.359 -16.147
  149   1HB   LEU  19          1HB       LEU  19  -3.327   8.956 -15.074
  150   2HB   LEU  19          2HB       LEU  19  -1.663   9.503 -15.023
  151    HG   LEU  19           HG       LEU  19  -2.591  10.746 -17.297
  152   1HD1  LEU  19          1HD1      LEU  19  -4.885   9.995 -16.877
  153   2HD1  LEU  19          2HD1      LEU  19  -4.852  10.778 -15.278
  154   3HD1  LEU  19          3HD1      LEU  19  -4.740  11.765 -16.755
  155   1HD2  LEU  19          1HD2      LEU  19  -1.199  11.755 -15.572
  156   2HD2  LEU  19          2HD2      LEU  19  -2.597  12.793 -15.942
  157   3HD2  LEU  19          3HD2      LEU  19  -2.586  11.809 -14.459
  158    H    GLY  20           H        GLY  20  -4.098   6.611 -16.399
  159   1HA   GLY  20          1HA       GLY  20  -6.161   6.843 -17.690
  160   2HA   GLY  20          2HA       GLY  20  -5.173   7.171 -19.099
  161    H    ASP  21           H        ASP  21  -3.137   5.261 -18.987
  162    HA   ASP  21           HA       ASP  21  -4.666   3.353 -20.322
  163   1HB   ASP  21          1HB       ASP  21  -1.711   3.334 -19.544
  164   2HB   ASP  21          2HB       ASP  21  -2.435   2.237 -20.703
  165    H    ASN  22           H        ASN  22  -5.949   2.014 -18.959
  166    HA   ASN  22           HA       ASN  22  -4.715   1.085 -16.520
  167   1HB   ASN  22          1HB       ASN  22  -7.059   0.347 -15.949
  168   2HB   ASN  22          2HB       ASN  22  -6.970   2.056 -16.323
  169   1HD2  ASN  22          1HD2      ASN  22  -9.718   0.003 -18.141
  170   2HD2  ASN  22          2HD2      ASN  22  -9.071  -0.132 -16.540
  171    H    ASP  23           H        ASP  23  -3.380  -0.252 -18.374
  172    HA   ASP  23           HA       ASP  23  -4.937  -2.587 -19.126
  173   1HB   ASP  23          1HB       ASP  23  -3.919  -1.610 -21.053
  174   2HB   ASP  23          2HB       ASP  23  -2.421  -1.279 -20.205
  175    H    TYR  24           H        TYR  24  -1.432  -1.827 -18.434
  176    HA   TYR  24           HA       TYR  24  -0.923  -4.359 -17.294
  177   1HB   TYR  24          1HB       TYR  24   0.421  -1.592 -17.086
  178   2HB   TYR  24          2HB       TYR  24   1.205  -3.087 -16.619
  179    HD1  TYR  24           HD1      TYR  24   1.428  -4.917 -18.484
  180    HD2  TYR  24           HD2      TYR  24   0.668  -0.780 -19.268
  181    HE1  TYR  24           HE1      TYR  24   2.285  -5.203 -20.861
  182    HE2  TYR  24           HE2      TYR  24   1.528  -1.080 -21.642
  183    HH   TYR  24           HH       TYR  24   2.667  -4.260 -22.759
  184    H    CYS  25           H        CYS  25  -2.071  -1.240 -16.007
  185    HA   CYS  25           HA       CYS  25  -1.696  -1.709 -13.319
  186   1HB   CYS  25          1HB       CYS  25  -2.491   0.405 -14.216
  187   2HB   CYS  25          2HB       CYS  25  -3.991  -0.338 -14.732
  188    H    LEU  26           H        LEU  26  -4.560  -2.507 -15.432
  189    HA   LEU  26           HA       LEU  26  -6.028  -3.750 -13.446
  190   1HB   LEU  26          1HB       LEU  26  -6.365  -3.077 -16.086
  191   2HB   LEU  26          2HB       LEU  26  -6.369  -4.828 -16.154
  192    HG   LEU  26           HG       LEU  26  -8.167  -3.174 -14.360
  193   1HD1  LEU  26          1HD1      LEU  26  -8.696  -2.775 -16.705
  194   2HD1  LEU  26          2HD1      LEU  26  -8.793  -4.528 -16.998
  195   3HD1  LEU  26          3HD1      LEU  26  -9.970  -3.739 -15.921
  196   1HD2  LEU  26          1HD2      LEU  26  -8.100  -6.141 -14.968
  197   2HD2  LEU  26          2HD2      LEU  26  -7.789  -5.346 -13.405
  198   3HD2  LEU  26          3HD2      LEU  26  -9.422  -5.310 -14.113
  199    H    ARG  27           H        ARG  27  -3.584  -5.075 -15.745
  200    HA   ARG  27           HA       ARG  27  -4.080  -7.715 -15.209
  201   1HB   ARG  27          1HB       ARG  27  -1.658  -6.172 -16.185
  202   2HB   ARG  27          2HB       ARG  27  -1.494  -7.887 -15.862
  203   1HG   ARG  27          1HG       ARG  27  -3.781  -7.974 -17.323
  204   2HG   ARG  27          2HG       ARG  27  -3.108  -6.497 -17.985
  205   1HD   ARG  27          1HD       ARG  27  -0.871  -7.964 -18.148
  206   2HD   ARG  27          2HD       ARG  27  -1.995  -9.307 -18.102
  207    HE   ARG  27           HE       ARG  27  -2.609  -8.799 -20.291
  208   1HH1  ARG  27          2HH1      ARG  27  -0.719  -6.136 -19.049
  209   2HH1  ARG  27          1HH1      ARG  27  -0.979  -5.131 -20.436
  210   1HH2  ARG  27          1HH2      ARG  27  -3.176  -7.365 -22.026
  211   2HH2  ARG  27          2HH2      ARG  27  -2.624  -5.724 -21.985
  212    H    GLU  28           H        GLU  28  -1.555  -5.500 -13.796
  213    HA   GLU  28           HA       GLU  28  -0.461  -7.486 -12.191
  214   1HB   GLU  28          1HB       GLU  28  -0.315  -4.456 -12.185
  215   2HB   GLU  28          2HB       GLU  28   0.499  -5.390 -10.944
  216   1HG   GLU  28          1HG       GLU  28   0.891  -5.957 -13.914
  217   2HG   GLU  28          2HG       GLU  28   1.877  -4.792 -13.052
  218    H    CYS  29           H        CYS  29  -2.982  -4.980 -11.615
  219    HA   CYS  29           HA       CYS  29  -3.306  -5.293  -8.914
  220   1HB   CYS  29          1HB       CYS  29  -4.441  -3.681 -10.564
  221   2HB   CYS  29          2HB       CYS  29  -5.623  -4.951 -10.809
  222    H    LYS  30           H        LYS  30  -4.755  -7.162 -11.678
  223    HA   LYS  30           HA       LYS  30  -6.493  -8.589  -9.965
  224   1HB   LYS  30          1HB       LYS  30  -6.540  -7.998 -12.576
  225   2HB   LYS  30          2HB       LYS  30  -5.833  -9.598 -12.698
  226   1HG   LYS  30          1HG       LYS  30  -7.705 -10.592 -11.464
  227   2HG   LYS  30          2HG       LYS  30  -8.368  -9.011 -11.100
  228   1HD   LYS  30          1HD       LYS  30  -8.493  -8.659 -13.679
  229   2HD   LYS  30          2HD       LYS  30  -8.205 -10.382 -13.813
  230   1HE   LYS  30          1HE       LYS  30 -10.478  -9.149 -12.184
  231   2HE   LYS  30          2HE       LYS  30 -10.658  -9.753 -13.819
  232   1HZ   LYS  30          1HZ       LYS  30  -9.834 -11.903 -12.973
  233   2HZ   LYS  30          2HZ       LYS  30  -9.889 -11.311 -11.452
  234   3HZ   LYS  30          3HZ       LYS  30 -11.262 -11.452 -12.323
  235    H    GLN  31           H        GLN  31  -3.319  -9.293 -11.522
  236    HA   GLN  31           HA       GLN  31  -3.362 -11.843 -10.113
  237   1HB   GLN  31          1HB       GLN  31  -1.713 -10.962 -12.523
  238   2HB   GLN  31          2HB       GLN  31  -1.601 -12.535 -11.760
  239   1HG   GLN  31          1HG       GLN  31  -4.031 -12.933 -12.247
  240   2HG   GLN  31          2HG       GLN  31  -4.124 -11.368 -13.031
  241   1HE2  GLN  31          1HE2      GLN  31  -2.277 -12.249 -15.934
  242   2HE2  GLN  31          2HE2      GLN  31  -2.664 -10.959 -14.844
  243    H    GLN  32           H        GLN  32  -2.799  -9.505  -8.575
  244    HA   GLN  32           HA       GLN  32  -0.651 -10.847  -7.372
  245   1HB   GLN  32          1HB       GLN  32   1.116  -9.412  -7.579
  246   2HB   GLN  32          2HB       GLN  32   0.294  -8.921  -9.046
  247   1HG   GLN  32          1HG       GLN  32   0.627  -6.850  -8.004
  248   2HG   GLN  32          2HG       GLN  32  -0.996  -7.237  -7.469
  249   1HE2  GLN  32          1HE2      GLN  32   0.629  -6.141  -4.432
  250   2HE2  GLN  32          2HE2      GLN  32  -0.119  -5.558  -5.881
  251    H    TYR  33           H        TYR  33  -2.867  -8.035  -7.542
  252    HA   TYR  33           HA       TYR  33  -3.247  -8.353  -4.640
  253   1HB   TYR  33          1HB       TYR  33  -2.720  -6.099  -6.394
  254   2HB   TYR  33          2HB       TYR  33  -4.386  -5.941  -5.872
  255    HD1  TYR  33           HD1      TYR  33  -1.577  -7.367  -3.876
  256    HD2  TYR  33           HD2      TYR  33  -4.231  -4.060  -4.442
  257    HE1  TYR  33           HE1      TYR  33  -0.796  -6.355  -1.679
  258    HE2  TYR  33           HE2      TYR  33  -3.441  -3.059  -2.243
  259    HH   TYR  33           HH       TYR  33  -0.900  -4.657  -0.345
  260    H    GLY  34           H        GLY  34  -4.544  -9.936  -6.981
  261   1HA   GLY  34          1HA       GLY  34  -6.103 -11.193  -5.580
  262   2HA   GLY  34          2HA       GLY  34  -7.008  -9.709  -5.355
  263    H    LYS  35           H        LYS  35  -7.549 -12.490  -6.731
  264    HA   LYS  35           HA       LYS  35  -7.504 -11.822  -9.528
  265   1HB   LYS  35          1HB       LYS  35  -8.302 -14.339  -8.039
  266   2HB   LYS  35          2HB       LYS  35  -8.268 -14.188  -9.784
  267   1HG   LYS  35          1HG       LYS  35  -5.808 -13.450  -9.551
  268   2HG   LYS  35          2HG       LYS  35  -5.909 -13.930  -7.870
  269   1HD   LYS  35          1HD       LYS  35  -6.590 -15.804 -10.182
  270   2HD   LYS  35          2HD       LYS  35  -4.993 -15.709  -9.465
  271   1HE   LYS  35          1HE       LYS  35  -6.060 -16.228  -7.203
  272   2HE   LYS  35          2HE       LYS  35  -7.578 -16.492  -8.038
  273   1HZ   LYS  35          1HZ       LYS  35  -6.479 -18.193  -9.348
  274   2HZ   LYS  35          2HZ       LYS  35  -5.081 -17.960  -8.538
  275   3HZ   LYS  35          3HZ       LYS  35  -6.392 -18.536  -7.754
  276    H    GLY  36           H        GLY  36  -9.060  -9.923  -8.959
  277   1HA   GLY  36          1HA       GLY  36 -11.661 -10.479  -9.828
  278   2HA   GLY  36          2HA       GLY  36 -11.676 -10.459  -8.075
  279    H    ALA  37           H        ALA  37  -9.593  -8.505  -7.611
  280    HA   ALA  37           HA       ALA  37 -11.220  -6.217  -7.746
  281   1HB   ALA  37          1HB       ALA  37  -9.584  -6.711  -5.946
  282   2HB   ALA  37          2HB       ALA  37  -8.255  -6.501  -7.110
  283   3HB   ALA  37          3HB       ALA  37  -9.293  -5.119  -6.687
  284    H    GLY  38           H        GLY  38 -10.503  -4.082  -8.720
  285   1HA   GLY  38          1HA       GLY  38  -8.918  -4.462 -11.182
  286   2HA   GLY  38          2HA       GLY  38 -10.471  -3.650 -11.220
  287    H    GLY  39           H        GLY  39  -9.074  -1.806 -12.092
  288   1HA   GLY  39          1HA       GLY  39  -8.218   0.105 -10.264
  289   2HA   GLY  39          2HA       GLY  39  -6.839  -0.924 -10.594
  290    H    TYR  40           H        TYR  40  -6.632   1.710 -11.350
  291    HA   TYR  40           HA       TYR  40  -6.206   1.319 -14.166
  292   1HB   TYR  40          1HB       TYR  40  -7.376   3.782 -14.302
  293   2HB   TYR  40          2HB       TYR  40  -8.323   2.322 -14.510
  294    HD1  TYR  40           HD1      TYR  40  -7.148   4.633 -11.798
  295    HD2  TYR  40           HD2      TYR  40 -10.228   2.016 -13.202
  296    HE1  TYR  40           HE1      TYR  40  -8.621   5.300  -9.836
  297    HE2  TYR  40           HE2      TYR  40 -11.690   2.692 -11.236
  298    HH   TYR  40           HH       TYR  40 -10.487   4.986  -8.801
  299    H    CYS  41           H        CYS  41  -5.016   3.296 -15.108
  300    HA   CYS  41           HA       CYS  41  -3.028   4.063 -13.199
  301   1HB   CYS  41          1HB       CYS  41  -3.379   4.310 -16.155
  302   2HB   CYS  41          2HB       CYS  41  -2.270   5.409 -15.356
  303    H    TYR  42           H        TYR  42  -3.934   5.538 -11.702
  304    HA   TYR  42           HA       TYR  42  -5.293   7.884 -12.662
  305   1HB   TYR  42          1HB       TYR  42  -4.781   6.402 -10.230
  306   2HB   TYR  42          2HB       TYR  42  -4.070   7.984  -9.980
  307    HD1  TYR  42           HD1      TYR  42  -7.199   6.942 -11.777
  308    HD2  TYR  42           HD2      TYR  42  -5.474   9.183  -8.565
  309    HE1  TYR  42           HE1      TYR  42  -9.486   7.886 -11.197
  310    HE2  TYR  42           HE2      TYR  42  -7.769  10.118  -7.997
  311    HH   TYR  42           HH       TYR  42 -10.621   9.180  -9.902
  312    H    ALA  43           H        ALA  43  -4.077   9.855 -10.965
  313    HA   ALA  43           HA       ALA  43  -1.897  10.803 -12.342
  314   1HB   ALA  43          1HB       ALA  43  -2.656  11.092  -9.408
  315   2HB   ALA  43          2HB       ALA  43  -1.476  12.117 -10.257
  316   3HB   ALA  43          3HB       ALA  43  -3.185  12.131 -10.752
  317    H    PHE  44           H        PHE  44  -0.679   8.776 -12.848
  318    HA   PHE  44           HA       PHE  44   1.213   7.658 -12.619
  319   1HB   PHE  44          1HB       PHE  44   1.813   9.892 -10.589
  320   2HB   PHE  44          2HB       PHE  44   3.015   8.986 -11.488
  321    HD1  PHE  44           HD1      PHE  44   3.056   9.247 -14.026
  322    HD2  PHE  44           HD2      PHE  44   0.891  11.858 -11.477
  323    HE1  PHE  44           HE1      PHE  44   3.000  10.975 -15.845
  324    HE2  PHE  44           HE2      PHE  44   0.835  13.587 -13.296
  325    HZ   PHE  44           HZ       PHE  44   1.890  13.125 -15.458
  326    H    ALA  45           H        ALA  45  -0.918   6.679 -10.513
  327    HA   ALA  45           HA       ALA  45   1.032   4.772 -11.109
  328   1HB   ALA  45          1HB       ALA  45   0.526   5.289  -8.156
  329   2HB   ALA  45          2HB       ALA  45   1.206   3.768  -8.782
  330   3HB   ALA  45          3HB       ALA  45   2.086   5.298  -9.013
  331    H    CYS  46           H        CYS  46   0.128   2.476 -10.225
  332    HA   CYS  46           HA       CYS  46  -2.410   2.345 -11.424
  333   1HB   CYS  46          1HB       CYS  46  -0.828   0.547 -11.669
  334   2HB   CYS  46          2HB       CYS  46  -0.773   0.287  -9.937
  335    H    TRP  47           H        TRP  47  -4.074   3.391 -10.303
  336    HA   TRP  47           HA       TRP  47  -4.338   2.991  -7.456
  337   1HB   TRP  47          1HB       TRP  47  -4.855   5.157  -8.367
  338   2HB   TRP  47          2HB       TRP  47  -6.006   4.468  -9.496
  339    HD1  TRP  47           HD1      TRP  47  -8.247   3.222  -8.189
  340    HE1  TRP  47           HE1      TRP  47  -9.651   4.010  -6.098
  341    HE3  TRP  47           HE3      TRP  47  -4.704   6.361  -6.333
  342    HZ2  TRP  47           HZ2      TRP  47  -9.134   5.817  -3.950
  343    HZ3  TRP  47           HZ3      TRP  47  -5.233   7.598  -4.235
  344    HH2  TRP  47           HH2      TRP  47  -7.359   7.367  -3.051
  345    H    CYS  48           H        CYS  48  -5.234   1.143  -6.654
  346    HA   CYS  48           HA       CYS  48  -6.990  -0.348  -8.454
  347   1HB   CYS  48          1HB       CYS  48  -5.170  -1.169  -6.211
  348   2HB   CYS  48          2HB       CYS  48  -6.521  -2.188  -6.666
  349    H    THR  49           H        THR  49  -9.041  -1.233  -7.486
  350    HA   THR  49           HA       THR  49 -10.058   0.466  -5.367
  351    HB   THR  49           HB       THR  49  -9.946   2.071  -7.204
  352    HG1  THR  49           HG1      THR  49 -12.207   2.452  -7.181
  353   1HG2  THR  49          1HG2      THR  49 -10.823  -0.302  -8.806
  354   2HG2  THR  49          2HG2      THR  49 -11.644   1.228  -9.200
  355   3HG2  THR  49          3HG2      THR  49  -9.872   1.114  -9.314
  356    H    HIS  50           H        HIS  50  -9.897  -2.384  -5.549
  357    HA   HIS  50           HA       HIS  50 -12.508  -2.491  -4.498
  358   1HB   HIS  50          1HB       HIS  50 -13.104  -2.992  -6.815
  359   2HB   HIS  50          2HB       HIS  50 -11.927  -4.290  -6.867
  360    HD1  HIS  50           HD1      HIS  50 -15.080  -3.362  -4.891
  361    HD2  HIS  50           HD2      HIS  50 -12.947  -6.736  -6.179
  362    HE1  HIS  50           HE1      HIS  50 -16.489  -5.388  -4.243
  363    H    LEU  51           H        LEU  51 -10.614  -2.599  -2.835
  364    HA   LEU  51           HA       LEU  51  -9.212  -5.168  -3.004
  365   1HB   LEU  51          1HB       LEU  51  -8.382  -2.585  -1.675
  366   2HB   LEU  51          2HB       LEU  51  -7.443  -4.063  -1.726
  367    HG   LEU  51           HG       LEU  51  -8.292  -2.581  -4.223
  368   1HD1  LEU  51          1HD1      LEU  51  -6.972  -1.062  -2.839
  369   2HD1  LEU  51          2HD1      LEU  51  -5.694  -2.292  -2.687
  370   3HD1  LEU  51          3HD1      LEU  51  -6.059  -1.579  -4.277
  371   1HD2  LEU  51          1HD2      LEU  51  -6.270  -4.762  -3.671
  372   2HD2  LEU  51          2HD2      LEU  51  -7.712  -4.833  -4.713
  373   3HD2  LEU  51          3HD2      LEU  51  -6.323  -3.824  -5.183
  374    H    TYR  52           H        TYR  52  -8.289  -5.648  -0.554
  375    HA   TYR  52           HA       TYR  52 -10.723  -5.718   1.090
  376   1HB   TYR  52          1HB       TYR  52  -8.831  -7.498   2.133
  377   2HB   TYR  52          2HB       TYR  52 -10.064  -7.961   0.976
  378    HD1  TYR  52           HD1      TYR  52  -6.528  -6.835   1.272
  379    HD2  TYR  52           HD2      TYR  52  -9.488  -8.658  -1.221
  380    HE1  TYR  52           HE1      TYR  52  -4.727  -7.493  -0.396
  381    HE2  TYR  52           HE2      TYR  52  -7.677  -9.310  -2.882
  382    HH   TYR  52           HH       TYR  52  -5.535  -9.434  -3.248
  383    H    GLU  53           H        GLU  53  -9.807  -6.218   3.576
  384    HA   GLU  53           HA       GLU  53  -9.070  -3.705   4.414
  385   1HB   GLU  53          1HB       GLU  53 -10.264  -5.469   5.767
  386   2HB   GLU  53          2HB       GLU  53  -8.746  -6.328   5.937
  387   1HG   GLU  53          1HG       GLU  53  -9.140  -4.932   7.926
  388   2HG   GLU  53          2HG       GLU  53  -7.732  -4.348   7.060
  389    H    GLN  54           H        GLN  54  -7.140  -6.464   3.363
  390    HA   GLN  54           HA       GLN  54  -4.755  -5.322   4.503
  391   1HB   GLN  54          1HB       GLN  54  -5.406  -7.897   3.049
  392   2HB   GLN  54          2HB       GLN  54  -3.737  -7.388   3.221
  393   1HG   GLN  54          1HG       GLN  54  -5.669  -7.648   5.571
  394   2HG   GLN  54          2HG       GLN  54  -4.581  -8.927   5.069
  395   1HE2  GLN  54          1HE2      GLN  54  -3.107  -6.836   7.837
  396   2HE2  GLN  54          2HE2      GLN  54  -4.608  -7.664   7.591
  397    H    ALA  55           H        ALA  55  -6.407  -3.968   2.291
  398    HA   ALA  55           HA       ALA  55  -4.557  -3.694   0.167
  399   1HB   ALA  55          1HB       ALA  55  -6.931  -2.949   0.111
  400   2HB   ALA  55          2HB       ALA  55  -6.550  -1.705   1.325
  401   3HB   ALA  55          3HB       ALA  55  -5.800  -1.634  -0.287
  402    H    ILE  56           H        ILE  56  -2.426  -3.201   0.524
  403    HA   ILE  56           HA       ILE  56  -1.963  -0.879   2.258
  404    HB   ILE  56           HB       ILE  56   0.114  -2.754   1.144
  405   1HG1  ILE  56          1HG1      ILE  56  -1.546  -4.019   2.492
  406   2HG1  ILE  56          2HG1      ILE  56   0.065  -4.011   3.183
  407   1HG2  ILE  56          1HG2      ILE  56   0.107  -0.657   3.323
  408   2HG2  ILE  56          2HG2      ILE  56   1.396  -1.869   3.132
  409   3HG2  ILE  56          3HG2      ILE  56   1.076  -0.697   1.830
  410   1HD1  ILE  56          1HD1      ILE  56  -2.168  -2.105   4.021
  411   2HD1  ILE  56          2HD1      ILE  56  -1.730  -3.597   4.888
  412   3HD1  ILE  56          3HD1      ILE  56  -0.565  -2.255   4.781
  413    H    VAL  57           H        VAL  57  -0.986   1.000   1.395
  414    HA   VAL  57           HA       VAL  57  -1.001   1.062  -1.533
  415    HB   VAL  57           HB       VAL  57  -3.067   1.886  -1.424
  416   1HG1  VAL  57          1HG1      VAL  57  -2.581   2.538   1.501
  417   2HG1  VAL  57          2HG1      VAL  57  -4.125   2.793   0.651
  418   3HG1  VAL  57          3HG1      VAL  57  -3.473   1.146   0.839
  419   1HG2  VAL  57          1HG2      VAL  57  -1.729   3.891  -1.946
  420   2HG2  VAL  57          2HG2      VAL  57  -3.234   4.302  -1.088
  421   3HG2  VAL  57          3HG2      VAL  57  -1.683   4.304  -0.215
  422    H    TRP  58           H        TRP  58   0.263   2.780  -2.448
  423    HA   TRP  58           HA       TRP  58   2.633   3.122  -1.042
  424   1HB   TRP  58          1HB       TRP  58   2.461   3.086  -3.477
  425   2HB   TRP  58          2HB       TRP  58   1.585   4.604  -3.460
  426    HD1  TRP  58           HD1      TRP  58   5.148   3.225  -2.967
  427    HE1  TRP  58           HE1      TRP  58   6.946   5.153  -3.086
  428    HE3  TRP  58           HE3      TRP  58   1.803   7.055  -3.052
  429    HZ2  TRP  58           HZ2      TRP  58   6.772   8.000  -3.199
  430    HZ3  TRP  58           HZ3      TRP  58   2.701   9.378  -3.168
  431    HH2  TRP  58           HH2      TRP  58   5.091   9.880  -3.241
  432    HA   PRO  59           HA       PRO  59   4.102   4.165  -0.699
  433   1HB   PRO  59          1HB       PRO  59   5.722   5.507   1.045
  434   2HB   PRO  59          2HB       PRO  59   5.642   5.877  -0.666
  435   1HG   PRO  59          1HG       PRO  59   4.492   7.375   1.609
  436   2HG   PRO  59          2HG       PRO  59   4.794   7.924  -0.028
  437   1HD   PRO  59          1HD       PRO  59   2.258   7.196   1.099
  438   2HD   PRO  59          2HD       PRO  59   2.578   7.633  -0.567
  439    H    LEU  60           H        LEU  60   5.715   3.223   1.229
  440    HA   LEU  60           HA       LEU  60   4.009   2.611   3.480
  441   1HB   LEU  60          1HB       LEU  60   6.951   2.103   3.021
  442   2HB   LEU  60          2HB       LEU  60   5.999   1.492   4.359
  443    HG   LEU  60           HG       LEU  60   5.967  -0.349   3.033
  444   1HD1  LEU  60          1HD1      LEU  60   3.624   0.402   3.326
  445   2HD1  LEU  60          2HD1      LEU  60   3.701   1.184   1.729
  446   3HD1  LEU  60          3HD1      LEU  60   3.868  -0.583   1.864
  447   1HD2  LEU  60          1HD2      LEU  60   7.369   0.783   1.280
  448   2HD2  LEU  60          2HD2      LEU  60   6.229  -0.439   0.668
  449   3HD2  LEU  60          3HD2      LEU  60   5.857   1.292   0.494
  450    HA   PRO  61           HA       PRO  61   4.568   6.101   5.586
  451   1HB   PRO  61          1HB       PRO  61   4.379   5.387   8.217
  452   2HB   PRO  61          2HB       PRO  61   3.002   5.429   7.135
  453   1HG   PRO  61          1HG       PRO  61   4.476   3.084   8.168
  454   2HG   PRO  61          2HG       PRO  61   2.878   3.148   7.451
  455   1HD   PRO  61          1HD       PRO  61   5.289   2.237   6.191
  456   2HD   PRO  61          2HD       PRO  61   3.715   2.411   5.440
  457    H    ASN  62           H        ASN  62   6.813   3.760   6.943
  458    HA   ASN  62           HA       ASN  62   8.264   5.994   8.061
  459   1HB   ASN  62          1HB       ASN  62   9.510   4.222   9.321
  460   2HB   ASN  62          2HB       ASN  62   7.780   4.076   9.556
  461   1HD2  ASN  62          1HD2      ASN  62   9.594   0.809   8.661
  462   2HD2  ASN  62          2HD2      ASN  62  10.014   2.128   9.701
  463    H    LYS  63           H        LYS  63   8.122   4.481   5.142
  464    HA   LYS  63           HA       LYS  63  10.820   5.127   4.478
  465   1HB   LYS  63          1HB       LYS  63  11.503   2.904   3.727
  466   2HB   LYS  63          2HB       LYS  63  11.224   2.933   5.456
  467   1HG   LYS  63          1HG       LYS  63   8.793   2.129   4.866
  468   2HG   LYS  63          2HG       LYS  63   9.458   1.737   3.293
  469   1HD   LYS  63          1HD       LYS  63  11.206   0.311   4.402
  470   2HD   LYS  63          2HD       LYS  63  10.504   0.683   5.964
  471   1HE   LYS  63          1HE       LYS  63   9.583  -1.443   5.323
  472   2HE   LYS  63          2HE       LYS  63   8.293  -0.279   5.099
  473   1HZ   LYS  63          1HZ       LYS  63  10.091  -1.103   2.930
  474   2HZ   LYS  63          2HZ       LYS  63   8.653  -1.821   3.224
  475   3HZ   LYS  63          3HZ       LYS  63   8.706  -0.246   2.795
  476    H    ARG  64           H        ARG  64  10.481   6.278   2.660
  477    HA   ARG  64           HA       ARG  64   8.588   5.119   0.777
  478   1HB   ARG  64          1HB       ARG  64   8.212   7.603   0.057
  479   2HB   ARG  64          2HB       ARG  64   7.445   7.062   1.538
  480   1HG   ARG  64          1HG       ARG  64  10.226   8.174   1.792
  481   2HG   ARG  64          2HG       ARG  64   8.958   9.317   1.398
  482   1HD   ARG  64          1HD       ARG  64   7.710   8.781   3.400
  483   2HD   ARG  64          2HD       ARG  64   8.667   7.346   3.705
  484    HE   ARG  64           HE       ARG  64  10.327   9.733   3.632
  485   1HH1  ARG  64          2HH1      ARG  64   8.008   8.056   5.675
  486   2HH1  ARG  64          1HH1      ARG  64   8.783   8.516   7.155
  487   1HH2  ARG  64          1HH2      ARG  64  11.361  10.331   5.584
  488   2HH2  ARG  64          2HH2      ARG  64  10.673   9.864   7.103
  489    H    CYS  65           H        CYS  65   9.164   5.344  -1.493
  490    HA   CYS  65           HA       CYS  65  12.010   5.455  -1.815
  491   1HB   CYS  65          1HB       CYS  65  10.510   3.710  -2.837
  492   2HB   CYS  65          2HB       CYS  65   9.901   4.948  -3.918
  493    H    SER  66           H        SER  66  13.123   6.949  -3.234
  494    HA   SER  66           HA       SER  66  12.040   9.519  -3.262
  495   1HB   SER  66          1HB       SER  66  14.061  10.100  -4.586
  496   2HB   SER  66          2HB       SER  66  14.458   9.124  -3.187
  497    HG   SER  66           HG       SER  66  15.560   8.378  -5.104
  498   1HN   NH2  67          1H        SER  66  12.674   7.115  -5.829
  499   2HN   NH2  67          2H        SER  66  11.540   7.735  -6.983
   
  No H/Q in entry =         499
  Start of MODEL    4
    1   1H    LYS   1          1H        LYS   1 -11.274  -0.279  -0.447
    2   2H    LYS   1          2H        LYS   1 -10.545  -1.717  -0.066
    3   3H    LYS   1          3H        LYS   1 -11.516  -0.962   1.043
    4    HA   LYS   1           HA       LYS   1 -10.067   0.695   1.461
    5   1HB   LYS   1          1HB       LYS   1  -9.470  -1.659   2.286
    6   2HB   LYS   1          2HB       LYS   1  -8.237  -1.673   1.042
    7   1HG   LYS   1          1HG       LYS   1  -7.962   0.848   2.323
    8   2HG   LYS   1          2HG       LYS   1  -8.235  -0.296   3.623
    9   1HD   LYS   1          1HD       LYS   1  -6.425  -1.777   2.536
   10   2HD   LYS   1          2HD       LYS   1  -6.061  -0.420   1.489
   11   1HE   LYS   1          1HE       LYS   1  -4.546  -0.034   3.228
   12   2HE   LYS   1          2HE       LYS   1  -5.898   0.946   3.760
   13   1HZ   LYS   1          1HZ       LYS   1  -5.363  -1.812   4.623
   14   2HZ   LYS   1          2HZ       LYS   1  -5.093  -0.467   5.510
   15   3HZ   LYS   1          3HZ       LYS   1  -6.620  -0.897   5.121
   16    H    GLU   2           H        GLU   2 -10.490   1.819  -0.774
   17    HA   GLU   2           HA       GLU   2  -8.744   0.874  -2.832
   18   1HB   GLU   2          1HB       GLU   2 -10.798   3.123  -2.957
   19   2HB   GLU   2          2HB       GLU   2 -10.082   2.285  -4.320
   20   1HG   GLU   2          1HG       GLU   2 -12.002   1.021  -4.182
   21   2HG   GLU   2          2HG       GLU   2 -11.069   0.129  -2.997
   22    H    GLY   3           H        GLY   3  -6.925   1.907  -3.632
   23   1HA   GLY   3          1HA       GLY   3  -6.393   4.674  -3.168
   24   2HA   GLY   3          2HA       GLY   3  -5.513   3.653  -2.048
   25    H    TYR   4           H        TYR   4  -3.812   4.978  -3.568
   26    HA   TYR   4           HA       TYR   4  -3.033   3.438  -5.848
   27   1HB   TYR   4          1HB       TYR   4  -1.593   5.339  -3.893
   28   2HB   TYR   4          2HB       TYR   4  -0.904   4.812  -5.415
   29    HD1  TYR   4           HD1      TYR   4  -2.235   5.392  -7.578
   30    HD2  TYR   4           HD2      TYR   4  -2.902   7.284  -3.798
   31    HE1  TYR   4           HE1      TYR   4  -3.339   7.361  -8.749
   32    HE2  TYR   4           HE2      TYR   4  -4.003   9.246  -4.983
   33    HH   TYR   4           HH       TYR   4  -4.084   9.405  -8.515
   34    H    LEU   5           H        LEU   5  -2.607   1.282  -5.544
   35    HA   LEU   5           HA       LEU   5  -1.726   0.065  -3.276
   36   1HB   LEU   5          1HB       LEU   5  -1.420  -1.786  -4.557
   37   2HB   LEU   5          2HB       LEU   5  -2.480  -0.842  -5.585
   38    HG   LEU   5           HG       LEU   5   0.474  -0.573  -5.986
   39   1HD1  LEU   5          1HD1      LEU   5  -1.149  -2.985  -6.830
   40   2HD1  LEU   5          2HD1      LEU   5   0.422  -2.537  -7.535
   41   3HD1  LEU   5          3HD1      LEU   5   0.308  -2.951  -5.807
   42   1HD2  LEU   5          1HD2      LEU   5  -1.932  -0.551  -7.826
   43   2HD2  LEU   5          2HD2      LEU   5  -0.968   0.846  -7.290
   44   3HD2  LEU   5          3HD2      LEU   5  -0.243  -0.380  -8.358
   45    H    VAL   6           H        VAL   6   0.255  -0.370  -2.281
   46    HA   VAL   6           HA       VAL   6   2.514   1.155  -3.378
   47    HB   VAL   6           HB       VAL   6   1.539   1.766  -1.121
   48   1HG1  VAL   6          1HG1      VAL   6   1.112  -0.525  -0.321
   49   2HG1  VAL   6          2HG1      VAL   6   2.864  -0.839  -0.289
   50   3HG1  VAL   6          3HG1      VAL   6   2.158   0.381   0.800
   51   1HG2  VAL   6          1HG2      VAL   6   3.855   2.333  -1.946
   52   2HG2  VAL   6          2HG2      VAL   6   3.683   2.258  -0.176
   53   3HG2  VAL   6          3HG2      VAL   6   4.449   0.912  -1.054
   54    H    ASP   7           H        ASP   7   4.645   0.140  -3.289
   55    HA   ASP   7           HA       ASP   7   4.433  -2.696  -3.667
   56   1HB   ASP   7          1HB       ASP   7   5.826  -1.055  -5.104
   57   2HB   ASP   7          2HB       ASP   7   6.942  -0.964  -3.756
   58    H    LYS   8           H        LYS   8   5.927  -4.205  -2.470
   59    HA   LYS   8           HA       LYS   8   6.181  -3.342   0.289
   60   1HB   LYS   8          1HB       LYS   8   5.838  -5.902  -1.145
   61   2HB   LYS   8          2HB       LYS   8   6.921  -5.978   0.230
   62   1HG   LYS   8          1HG       LYS   8   5.222  -5.106   1.732
   63   2HG   LYS   8          2HG       LYS   8   4.173  -4.667   0.399
   64   1HD   LYS   8          1HD       LYS   8   3.880  -7.060  -0.196
   65   2HD   LYS   8          2HD       LYS   8   4.993  -7.532   1.073
   66   1HE   LYS   8          1HE       LYS   8   2.738  -7.826   1.930
   67   2HE   LYS   8          2HE       LYS   8   3.447  -6.461   2.770
   68   1HZ   LYS   8          1HZ       LYS   8   1.798  -6.136   0.368
   69   2HZ   LYS   8          2HZ       LYS   8   1.169  -6.127   1.875
   70   3HZ   LYS   8          3HZ       LYS   8   2.247  -4.982   1.433
   71    H    ASN   9           H        ASN   9   8.115  -3.802  -2.592
   72    HA   ASN   9           HA       ASN   9  10.424  -4.534  -1.043
   73   1HB   ASN   9          1HB       ASN   9   9.534  -4.776  -3.846
   74   2HB   ASN   9          2HB       ASN   9  11.183  -4.190  -3.755
   75   1HD2  ASN   9          1HD2      ASN   9  12.599  -7.105  -2.344
   76   2HD2  ASN   9          2HD2      ASN   9  12.736  -5.386  -2.511
   77    H    THR  10           H        THR  10   9.812  -2.263  -3.840
   78    HA   THR  10           HA       THR  10  11.932  -0.534  -2.840
   79    HB   THR  10           HB       THR  10  11.577   0.531  -5.121
   80    HG1  THR  10           HG1      THR  10  10.026  -0.783  -6.449
   81   1HG2  THR  10          1HG2      THR  10  13.068  -1.568  -4.812
   82   2HG2  THR  10          2HG2      THR  10  11.669  -2.513  -5.375
   83   3HG2  THR  10          3HG2      THR  10  12.420  -1.309  -6.449
   84    H    GLY  11           H        GLY  11   8.575  -0.881  -2.430
   85   1HA   GLY  11          1HA       GLY  11   7.091   0.538  -1.432
   86   2HA   GLY  11          2HA       GLY  11   8.274   1.831  -1.471
   87    H    CYS  12           H        CYS  12   8.373   0.599  -4.590
   88    HA   CYS  12           HA       CYS  12   7.058   3.113  -5.268
   89   1HB   CYS  12          1HB       CYS  12   9.412   1.632  -6.403
   90   2HB   CYS  12          2HB       CYS  12   8.552   2.808  -7.378
   91    H    LYS  13           H        LYS  13   8.016   0.260  -7.294
   92    HA   LYS  13           HA       LYS  13   6.966  -0.713  -8.974
   93   1HB   LYS  13          1HB       LYS  13   5.688  -1.748  -7.164
   94   2HB   LYS  13          2HB       LYS  13   4.545  -0.420  -7.170
   95   1HG   LYS  13          1HG       LYS  13   3.761  -0.976  -9.395
   96   2HG   LYS  13          2HG       LYS  13   5.092  -2.084  -9.664
   97   1HD   LYS  13          1HD       LYS  13   3.125  -2.532  -7.388
   98   2HD   LYS  13          2HD       LYS  13   2.760  -3.078  -9.013
   99   1HE   LYS  13          1HE       LYS  13   4.185  -4.849  -8.845
  100   2HE   LYS  13          2HE       LYS  13   5.487  -3.844  -8.242
  101   1HZ   LYS  13          1HZ       LYS  13   3.237  -4.705  -6.567
  102   2HZ   LYS  13          2HZ       LYS  13   4.643  -5.530  -6.668
  103   3HZ   LYS  13          3HZ       LYS  13   4.628  -4.010  -6.071
  104    H    TYR  14           H        TYR  14   4.205   1.527  -8.044
  105    HA   TYR  14           HA       TYR  14   2.888   1.104 -10.193
  106   1HB   TYR  14          1HB       TYR  14   3.147   4.016 -10.071
  107   2HB   TYR  14          2HB       TYR  14   1.847   3.036  -9.423
  108    HD1  TYR  14           HD1      TYR  14   1.865   2.310  -7.071
  109    HD2  TYR  14           HD2      TYR  14   4.979   4.780  -8.653
  110    HE1  TYR  14           HE1      TYR  14   2.620   2.883  -4.711
  111    HE2  TYR  14           HE2      TYR  14   5.723   5.345  -6.288
  112    HH   TYR  14           HH       TYR  14   4.978   3.627  -3.708
  113    H    GLU  15           H        GLU  15   5.232   3.885 -10.387
  114    HA   GLU  15           HA       GLU  15   5.651   5.030 -12.265
  115   1HB   GLU  15          1HB       GLU  15   7.089   2.370 -12.650
  116   2HB   GLU  15          2HB       GLU  15   7.469   3.815 -13.565
  117   1HG   GLU  15          1HG       GLU  15   7.583   3.589 -10.519
  118   2HG   GLU  15          2HG       GLU  15   8.972   3.524 -11.585
  119    H    CYS  16           H        CYS  16   3.168   4.634 -12.884
  120    HA   CYS  16           HA       CYS  16   2.966   3.273 -15.399
  121   1HB   CYS  16          1HB       CYS  16   1.060   3.603 -13.798
  122   2HB   CYS  16          2HB       CYS  16   1.085   5.309 -14.196
  123    H    LEU  17           H        LEU  17   3.135   4.272 -17.476
  124    HA   LEU  17           HA       LEU  17   5.108   6.313 -17.358
  125   1HB   LEU  17          1HB       LEU  17   3.798   4.958 -19.721
  126   2HB   LEU  17          2HB       LEU  17   5.222   5.976 -19.786
  127    HG   LEU  17           HG       LEU  17   5.029   3.347 -18.290
  128   1HD1  LEU  17          1HD1      LEU  17   4.899   3.014 -20.705
  129   2HD1  LEU  17          2HD1      LEU  17   6.373   3.986 -20.930
  130   3HD1  LEU  17          3HD1      LEU  17   6.455   2.435 -20.060
  131   1HD2  LEU  17          1HD2      LEU  17   7.308   5.290 -18.700
  132   2HD2  LEU  17          2HD2      LEU  17   6.631   4.676 -17.171
  133   3HD2  LEU  17          3HD2      LEU  17   7.553   3.589 -18.237
  134    H    LYS  18           H        LYS  18   1.630   6.187 -17.850
  135    HA   LYS  18           HA       LYS  18   1.638   9.078 -17.956
  136   1HB   LYS  18          1HB       LYS  18   0.232   9.244 -19.908
  137   2HB   LYS  18          2HB       LYS  18   1.713   8.411 -20.332
  138   1HG   LYS  18          1HG       LYS  18   0.559   6.214 -20.147
  139   2HG   LYS  18          2HG       LYS  18  -0.919   7.015 -19.652
  140   1HD   LYS  18          1HD       LYS  18  -0.945   8.260 -21.848
  141   2HD   LYS  18          2HD       LYS  18   0.486   7.377 -22.341
  142   1HE   LYS  18          1HE       LYS  18  -0.740   5.224 -22.145
  143   2HE   LYS  18          2HE       LYS  18  -2.163   6.065 -21.564
  144   1HZ   LYS  18          1HZ       LYS  18  -0.922   6.476 -24.197
  145   2HZ   LYS  18          2HZ       LYS  18  -2.285   5.621 -23.913
  146   3HZ   LYS  18          3HZ       LYS  18  -2.264   7.233 -23.654
  147    H    LEU  19           H        LEU  19  -1.030   9.617 -18.168
  148    HA   LEU  19           HA       LEU  19  -2.332   7.719 -16.351
  149   1HB   LEU  19          1HB       LEU  19  -3.973   9.527 -15.996
  150   2HB   LEU  19          2HB       LEU  19  -2.350   9.910 -15.458
  151    HG   LEU  19           HG       LEU  19  -2.914  10.801 -18.205
  152   1HD1  LEU  19          1HD1      LEU  19  -4.506  11.974 -15.910
  153   2HD1  LEU  19          2HD1      LEU  19  -4.339  12.698 -17.526
  154   3HD1  LEU  19          3HD1      LEU  19  -5.151  11.125 -17.336
  155   1HD2  LEU  19          1HD2      LEU  19  -0.897  11.382 -16.860
  156   2HD2  LEU  19          2HD2      LEU  19  -1.786  12.793 -17.483
  157   3HD2  LEU  19          3HD2      LEU  19  -1.945  12.324 -15.774
  158    H    GLY  20           H        GLY  20  -4.350   6.783 -16.924
  159   1HA   GLY  20          1HA       GLY  20  -6.284   6.989 -18.405
  160   2HA   GLY  20          2HA       GLY  20  -5.168   7.237 -19.733
  161    H    ASP  21           H        ASP  21  -3.161   5.284 -19.141
  162    HA   ASP  21           HA       ASP  21  -4.516   3.225 -20.484
  163   1HB   ASP  21          1HB       ASP  21  -2.212   2.098 -20.352
  164   2HB   ASP  21          2HB       ASP  21  -2.263   3.656 -21.151
  165    H    ASN  22           H        ASN  22  -5.953   2.039 -19.116
  166    HA   ASN  22           HA       ASN  22  -5.058   1.593 -16.413
  167   1HB   ASN  22          1HB       ASN  22  -7.497   0.808 -16.125
  168   2HB   ASN  22          2HB       ASN  22  -7.295   2.492 -16.565
  169   1HD2  ASN  22          1HD2      ASN  22  -8.672   2.277 -19.789
  170   2HD2  ASN  22          2HD2      ASN  22  -7.690   3.180 -18.684
  171    H    ASP  23           H        ASP  23  -3.671   0.023 -18.346
  172    HA   ASP  23           HA       ASP  23  -5.165  -2.464 -18.504
  173   1HB   ASP  23          1HB       ASP  23  -4.293  -1.359 -20.618
  174   2HB   ASP  23          2HB       ASP  23  -2.661  -1.590 -20.022
  175    H    TYR  24           H        TYR  24  -1.842  -1.082 -17.941
  176    HA   TYR  24           HA       TYR  24  -0.799  -3.512 -16.894
  177   1HB   TYR  24          1HB       TYR  24   0.009  -0.546 -16.653
  178   2HB   TYR  24          2HB       TYR  24   1.076  -1.887 -16.288
  179    HD1  TYR  24           HD1      TYR  24   1.510  -3.583 -18.253
  180    HD2  TYR  24           HD2      TYR  24   0.022   0.392 -18.793
  181    HE1  TYR  24           HE1      TYR  24   2.288  -3.614 -20.673
  182    HE2  TYR  24           HE2      TYR  24   0.804   0.348 -21.212
  183    HH   TYR  24           HH       TYR  24   1.681  -0.829 -22.796
  184    H    CYS  25           H        CYS  25  -2.447  -0.646 -15.550
  185    HA   CYS  25           HA       CYS  25  -1.820  -1.030 -12.885
  186   1HB   CYS  25          1HB       CYS  25  -2.945   0.957 -13.771
  187   2HB   CYS  25          2HB       CYS  25  -4.382   0.013 -14.110
  188    H    LEU  26           H        LEU  26  -4.639  -2.237 -14.852
  189    HA   LEU  26           HA       LEU  26  -5.802  -3.786 -12.898
  190   1HB   LEU  26          1HB       LEU  26  -6.267  -3.192 -15.526
  191   2HB   LEU  26          2HB       LEU  26  -5.862  -4.895 -15.621
  192    HG   LEU  26           HG       LEU  26  -8.015  -3.728 -13.835
  193   1HD1  LEU  26          1HD1      LEU  26  -8.599  -3.458 -16.186
  194   2HD1  LEU  26          2HD1      LEU  26  -8.272  -5.183 -16.481
  195   3HD1  LEU  26          3HD1      LEU  26  -9.616  -4.700 -15.418
  196   1HD2  LEU  26          1HD2      LEU  26  -7.240  -6.591 -14.443
  197   2HD2  LEU  26          2HD2      LEU  26  -7.145  -5.751 -12.877
  198   3HD2  LEU  26          3HD2      LEU  26  -8.731  -6.101 -13.604
  199    H    ARG  27           H        ARG  27  -3.303  -4.746 -15.355
  200    HA   ARG  27           HA       ARG  27  -3.342  -7.391 -14.688
  201   1HB   ARG  27          1HB       ARG  27  -1.421  -5.546 -16.071
  202   2HB   ARG  27          2HB       ARG  27  -0.757  -7.081 -15.549
  203   1HG   ARG  27          1HG       ARG  27  -2.142  -8.331 -16.970
  204   2HG   ARG  27          2HG       ARG  27  -3.410  -7.121 -16.982
  205   1HD   ARG  27          1HD       ARG  27  -1.702  -5.610 -18.264
  206   2HD   ARG  27          2HD       ARG  27  -0.773  -7.076 -18.503
  207    HE   ARG  27           HE       ARG  27  -2.433  -7.895 -19.974
  208   1HH1  ARG  27          2HH1      ARG  27  -3.888  -5.348 -18.070
  209   2HH1  ARG  27          1HH1      ARG  27  -5.142  -5.023 -19.219
  210   1HH2  ARG  27          1HH2      ARG  27  -3.966  -7.315 -21.611
  211   2HH2  ARG  27          2HH2      ARG  27  -5.024  -5.970 -21.347
  212    H    GLU  28           H        GLU  28  -1.237  -4.704 -13.472
  213    HA   GLU  28           HA       GLU  28   0.445  -6.194 -11.929
  214   1HB   GLU  28          1HB       GLU  28  -0.570  -3.364 -11.834
  215   2HB   GLU  28          2HB       GLU  28   0.335  -3.948 -10.452
  216   1HG   GLU  28          1HG       GLU  28   1.456  -4.472 -13.206
  217   2HG   GLU  28          2HG       GLU  28   1.567  -2.844 -12.567
  218    H    CYS  29           H        CYS  29  -2.624  -4.535 -10.871
  219    HA   CYS  29           HA       CYS  29  -2.356  -5.378  -8.232
  220   1HB   CYS  29          1HB       CYS  29  -4.407  -4.037  -9.871
  221   2HB   CYS  29          2HB       CYS  29  -5.036  -4.924  -8.497
  222    H    LYS  30           H        LYS  30  -3.668  -6.864 -11.174
  223    HA   LYS  30           HA       LYS  30  -5.185  -8.871  -9.901
  224   1HB   LYS  30          1HB       LYS  30  -5.149  -8.003 -12.378
  225   2HB   LYS  30          2HB       LYS  30  -3.905  -9.215 -12.599
  226   1HG   LYS  30          1HG       LYS  30  -5.469 -10.944 -11.616
  227   2HG   LYS  30          2HG       LYS  30  -6.717  -9.718 -11.517
  228   1HD   LYS  30          1HD       LYS  30  -6.433  -9.355 -14.037
  229   2HD   LYS  30          2HD       LYS  30  -5.371 -10.747 -14.056
  230   1HE   LYS  30          1HE       LYS  30  -8.265 -10.786 -13.072
  231   2HE   LYS  30          2HE       LYS  30  -7.746 -11.319 -14.659
  232   1HZ   LYS  30          1HZ       LYS  30  -6.238 -12.874 -13.450
  233   2HZ   LYS  30          2HZ       LYS  30  -7.028 -12.494 -12.072
  234   3HZ   LYS  30          3HZ       LYS  30  -7.832 -13.200 -13.305
  235    H    GLN  31           H        GLN  31  -1.776  -8.678 -11.088
  236    HA   GLN  31           HA       GLN  31  -1.345 -11.336 -10.053
  237   1HB   GLN  31          1HB       GLN  31   0.474  -9.447 -11.612
  238   2HB   GLN  31          2HB       GLN  31   0.927 -11.066 -11.119
  239   1HG   GLN  31          1HG       GLN  31  -0.967 -12.016 -12.426
  240   2HG   GLN  31          2HG       GLN  31  -1.477 -10.403 -12.886
  241   1HE2  GLN  31          1HE2      GLN  31   0.297 -11.135 -15.846
  242   2HE2  GLN  31          2HE2      GLN  31  -1.244 -11.153 -15.058
  243    H    GLN  32           H        GLN  32  -1.956  -9.353  -8.034
  244    HA   GLN  32           HA       GLN  32   0.012 -10.567  -6.451
  245   1HB   GLN  32          1HB       GLN  32   0.767  -8.447  -5.267
  246   2HB   GLN  32          2HB       GLN  32   1.404  -8.658  -6.886
  247   1HG   GLN  32          1HG       GLN  32  -0.842  -7.278  -7.524
  248   2HG   GLN  32          2HG       GLN  32  -0.639  -6.689  -5.886
  249   1HE2  GLN  32          1HE2      GLN  32   1.952  -5.681  -8.920
  250   2HE2  GLN  32          2HE2      GLN  32   0.845  -7.006  -9.050
  251    H    TYR  33           H        TYR  33  -2.659  -8.191  -6.789
  252    HA   TYR  33           HA       TYR  33  -3.704  -9.170  -4.217
  253   1HB   TYR  33          1HB       TYR  33  -3.714  -6.499  -5.725
  254   2HB   TYR  33          2HB       TYR  33  -4.942  -6.813  -4.514
  255    HD1  TYR  33           HD1      TYR  33  -3.551  -8.109  -2.334
  256    HD2  TYR  33           HD2      TYR  33  -2.196  -4.957  -4.889
  257    HE1  TYR  33           HE1      TYR  33  -1.957  -7.314  -0.519
  258    HE2  TYR  33           HE2      TYR  33  -0.607  -4.171  -3.065
  259    HH   TYR  33           HH       TYR  33  -0.647  -5.672   0.130
  260    H    GLY  34           H        GLY  34  -3.985  -9.980  -7.264
  261   1HA   GLY  34          1HA       GLY  34  -6.702  -9.469  -7.924
  262   2HA   GLY  34          2HA       GLY  34  -5.640 -10.671  -8.630
  263    H    LYS  35           H        LYS  35  -7.499 -10.043  -5.533
  264    HA   LYS  35           HA       LYS  35  -8.509 -12.769  -5.902
  265   1HB   LYS  35          1HB       LYS  35  -8.785 -10.859  -3.563
  266   2HB   LYS  35          2HB       LYS  35  -9.543 -12.435  -3.663
  267   1HG   LYS  35          1HG       LYS  35  -6.540 -12.121  -4.033
  268   2HG   LYS  35          2HG       LYS  35  -7.242 -12.238  -2.431
  269   1HD   LYS  35          1HD       LYS  35  -8.268 -14.303  -4.290
  270   2HD   LYS  35          2HD       LYS  35  -6.533 -14.395  -4.061
  271   1HE   LYS  35          1HE       LYS  35  -7.564 -15.774  -2.350
  272   2HE   LYS  35          2HE       LYS  35  -6.905 -14.359  -1.553
  273   1HZ   LYS  35          1HZ       LYS  35  -9.706 -14.593  -2.407
  274   2HZ   LYS  35          2HZ       LYS  35  -9.181 -14.898  -0.892
  275   3HZ   LYS  35          3HZ       LYS  35  -9.060 -13.392  -1.510
  276    H    GLY  36           H        GLY  36  -9.015  -9.568  -6.855
  277   1HA   GLY  36          1HA       GLY  36 -11.215  -9.970  -8.358
  278   2HA   GLY  36          2HA       GLY  36 -11.907  -9.615  -6.787
  279    H    ALA  37           H        ALA  37  -8.961  -8.321  -8.518
  280    HA   ALA  37           HA       ALA  37  -9.766  -5.732  -7.399
  281   1HB   ALA  37          1HB       ALA  37  -7.704  -6.718  -6.484
  282   2HB   ALA  37          2HB       ALA  37  -7.027  -6.849  -8.125
  283   3HB   ALA  37          3HB       ALA  37  -7.340  -5.246  -7.417
  284    H    GLY  38           H        GLY  38 -10.301  -4.094  -8.804
  285   1HA   GLY  38          1HA       GLY  38  -9.010  -4.182 -11.466
  286   2HA   GLY  38          2HA       GLY  38 -10.524  -3.373 -11.110
  287    H    GLY  39           H        GLY  39  -8.953  -1.654 -12.255
  288   1HA   GLY  39          1HA       GLY  39  -8.272   0.334 -10.429
  289   2HA   GLY  39          2HA       GLY  39  -6.813  -0.579 -10.754
  290    H    TYR  40           H        TYR  40  -6.744   2.026 -11.530
  291    HA   TYR  40           HA       TYR  40  -6.361   1.617 -14.363
  292   1HB   TYR  40          1HB       TYR  40  -7.508   4.064 -14.508
  293   2HB   TYR  40          2HB       TYR  40  -8.507   2.627 -14.585
  294    HD1  TYR  40           HD1      TYR  40  -7.280   5.290 -12.297
  295    HD2  TYR  40           HD2      TYR  40 -10.138   2.166 -12.912
  296    HE1  TYR  40           HE1      TYR  40  -8.598   6.089 -10.276
  297    HE2  TYR  40           HE2      TYR  40 -11.448   2.976 -10.889
  298    HH   TYR  40           HH       TYR  40 -11.503   4.344  -9.214
  299    H    CYS  41           H        CYS  41  -5.207   3.626 -15.327
  300    HA   CYS  41           HA       CYS  41  -3.165   4.322 -13.402
  301   1HB   CYS  41          1HB       CYS  41  -3.368   4.236 -16.368
  302   2HB   CYS  41          2HB       CYS  41  -2.277   5.422 -15.681
  303    H    TYR  42           H        TYR  42  -3.890   6.058 -12.110
  304    HA   TYR  42           HA       TYR  42  -4.915   8.427 -13.384
  305   1HB   TYR  42          1HB       TYR  42  -4.523   7.236 -10.758
  306   2HB   TYR  42          2HB       TYR  42  -3.652   8.756 -10.756
  307    HD1  TYR  42           HD1      TYR  42  -5.431  10.415 -12.507
  308    HD2  TYR  42           HD2      TYR  42  -6.373   7.658  -9.373
  309    HE1  TYR  42           HE1      TYR  42  -7.606  11.654 -12.060
  310    HE2  TYR  42           HE2      TYR  42  -8.545   8.907  -8.937
  311    HH   TYR  42           HH       TYR  42  -9.403  11.762 -10.877
  312    H    ALA  43           H        ALA  43  -3.374  10.386 -11.950
  313    HA   ALA  43           HA       ALA  43  -1.411  10.939 -13.789
  314   1HB   ALA  43          1HB       ALA  43  -1.670  11.793 -10.877
  315   2HB   ALA  43          2HB       ALA  43  -0.632  12.585 -12.085
  316   3HB   ALA  43          3HB       ALA  43  -2.399  12.597 -12.287
  317    H    PHE  44           H        PHE  44  -0.242   8.918 -14.163
  318    HA   PHE  44           HA       PHE  44   1.651   7.796 -14.031
  319   1HB   PHE  44          1HB       PHE  44   2.509   9.973 -12.042
  320   2HB   PHE  44          2HB       PHE  44   3.561   9.078 -13.119
  321    HD1  PHE  44           HD1      PHE  44   3.029   9.372 -15.689
  322    HD2  PHE  44           HD2      PHE  44   1.833  12.095 -12.662
  323    HE1  PHE  44           HE1      PHE  44   2.815  11.188 -17.408
  324    HE2  PHE  44           HE2      PHE  44   1.619  13.912 -14.381
  325    HZ   PHE  44           HZ       PHE  44   2.112  13.436 -16.733
  326    H    ALA  45           H        ALA  45  -0.478   7.221 -11.996
  327    HA   ALA  45           HA       ALA  45   1.142   5.210 -10.821
  328   1HB   ALA  45          1HB       ALA  45  -0.096   7.337  -9.033
  329   2HB   ALA  45          2HB       ALA  45   0.417   5.735  -8.449
  330   3HB   ALA  45          3HB       ALA  45   1.617   6.859  -9.132
  331    H    CYS  46           H        CYS  46  -0.430   3.769  -9.336
  332    HA   CYS  46           HA       CYS  46  -2.657   3.459 -11.211
  333   1HB   CYS  46          1HB       CYS  46  -1.234   1.711 -11.684
  334   2HB   CYS  46          2HB       CYS  46  -0.711   1.528 -10.022
  335    H    TRP  47           H        TRP  47  -4.485   4.189 -10.122
  336    HA   TRP  47           HA       TRP  47  -4.839   3.545  -7.331
  337   1HB   TRP  47          1HB       TRP  47  -5.608   5.682  -8.169
  338   2HB   TRP  47          2HB       TRP  47  -6.625   4.897  -9.360
  339    HD1  TRP  47           HD1      TRP  47  -8.702   3.295  -8.185
  340    HE1  TRP  47           HE1      TRP  47 -10.245   3.767  -6.097
  341    HE3  TRP  47           HE3      TRP  47  -5.660   6.775  -6.065
  342    HZ2  TRP  47           HZ2      TRP  47 -10.024   5.503  -3.843
  343    HZ3  TRP  47           HZ3      TRP  47  -6.399   7.810  -3.920
  344    HH2  TRP  47           HH2      TRP  47  -8.497   7.226  -2.813
  345    H    CYS  48           H        CYS  48  -5.598   1.583  -6.667
  346    HA   CYS  48           HA       CYS  48  -7.115   0.036  -8.637
  347   1HB   CYS  48          1HB       CYS  48  -5.316  -0.825  -6.376
  348   2HB   CYS  48          2HB       CYS  48  -6.473  -1.917  -7.111
  349    H    THR  49           H        THR  49  -9.053  -1.149  -7.756
  350    HA   THR  49           HA       THR  49 -10.244   0.292  -5.526
  351    HB   THR  49           HB       THR  49 -10.456   1.960  -7.268
  352    HG1  THR  49           HG1      THR  49 -12.498   1.684  -6.323
  353   1HG2  THR  49          1HG2      THR  49 -11.117  -0.447  -9.004
  354   2HG2  THR  49          2HG2      THR  49 -11.787   1.152  -9.411
  355   3HG2  THR  49          3HG2      THR  49 -10.024   0.914  -9.357
  356    H    HIS  50           H        HIS  50  -9.715  -2.540  -5.776
  357    HA   HIS  50           HA       HIS  50 -12.261  -2.715  -4.521
  358   1HB   HIS  50          1HB       HIS  50 -11.660  -4.380  -6.913
  359   2HB   HIS  50          2HB       HIS  50 -12.373  -5.211  -5.544
  360    HD1  HIS  50           HD1      HIS  50 -14.542  -3.508  -4.513
  361    HD2  HIS  50           HD2      HIS  50 -13.642  -3.617  -8.609
  362    HE1  HIS  50           HE1      HIS  50 -16.638  -2.708  -5.726
  363    H    LEU  51           H        LEU  51 -10.650  -2.468  -2.744
  364    HA   LEU  51           HA       LEU  51  -8.734  -4.693  -2.639
  365   1HB   LEU  51          1HB       LEU  51  -8.349  -1.850  -1.692
  366   2HB   LEU  51          2HB       LEU  51  -7.164  -3.140  -1.639
  367    HG   LEU  51           HG       LEU  51  -8.327  -1.912  -4.154
  368   1HD1  LEU  51          1HD1      LEU  51  -6.780  -0.456  -2.806
  369   2HD1  LEU  51          2HD1      LEU  51  -5.505  -1.666  -3.089
  370   3HD1  LEU  51          3HD1      LEU  51  -6.241  -0.810  -4.465
  371   1HD2  LEU  51          1HD2      LEU  51  -6.353  -4.155  -3.729
  372   2HD2  LEU  51          2HD2      LEU  51  -7.833  -4.137  -4.718
  373   3HD2  LEU  51          3HD2      LEU  51  -6.406  -3.207  -5.235
  374    H    TYR  52           H        TYR  52  -8.056  -5.376  -0.454
  375    HA   TYR  52           HA       TYR  52 -10.161  -4.836   1.524
  376   1HB   TYR  52          1HB       TYR  52  -8.578  -6.979   2.391
  377   2HB   TYR  52          2HB       TYR  52 -10.056  -7.172   1.469
  378    HD1  TYR  52           HD1      TYR  52  -9.954  -7.529  -1.002
  379    HD2  TYR  52           HD2      TYR  52  -6.424  -7.424   1.412
  380    HE1  TYR  52           HE1      TYR  52  -8.636  -8.639  -2.870
  381    HE2  TYR  52           HE2      TYR  52  -5.117  -8.535  -0.465
  382    HH   TYR  52           HH       TYR  52  -6.556  -9.026  -3.619
  383    H    GLU  53           H        GLU  53  -9.180  -5.219   3.893
  384    HA   GLU  53           HA       GLU  53  -7.667  -3.036   4.427
  385   1HB   GLU  53          1HB       GLU  53  -8.909  -4.083   6.191
  386   2HB   GLU  53          2HB       GLU  53  -8.094  -5.618   5.970
  387   1HG   GLU  53          1HG       GLU  53  -7.265  -4.340   7.974
  388   2HG   GLU  53          2HG       GLU  53  -5.994  -4.720   6.828
  389    H    GLN  54           H        GLN  54  -6.616  -6.333   3.531
  390    HA   GLN  54           HA       GLN  54  -4.016  -5.869   4.632
  391   1HB   GLN  54          1HB       GLN  54  -5.383  -8.232   3.308
  392   2HB   GLN  54          2HB       GLN  54  -3.658  -8.258   3.620
  393   1HG   GLN  54          1HG       GLN  54  -5.763  -7.693   5.761
  394   2HG   GLN  54          2HG       GLN  54  -5.073  -9.276   5.468
  395   1HE2  GLN  54          1HE2      GLN  54  -3.283  -6.821   7.991
  396   2HE2  GLN  54          2HE2      GLN  54  -4.946  -6.840   7.506
  397    H    ALA  55           H        ALA  55  -5.554  -4.990   1.784
  398    HA   ALA  55           HA       ALA  55  -3.105  -5.187   0.206
  399   1HB   ALA  55          1HB       ALA  55  -5.975  -4.402  -0.405
  400   2HB   ALA  55          2HB       ALA  55  -4.645  -4.178  -1.568
  401   3HB   ALA  55          3HB       ALA  55  -5.069  -5.811  -1.003
  402    H    ILE  56           H        ILE  56  -1.666  -3.482   0.151
  403    HA   ILE  56           HA       ILE  56  -2.480  -1.364   1.991
  404    HB   ILE  56           HB       ILE  56   0.306  -2.260   1.260
  405   1HG1  ILE  56          1HG1      ILE  56  -0.878  -4.176   2.163
  406   2HG1  ILE  56          2HG1      ILE  56   0.291  -3.582   3.325
  407   1HG2  ILE  56          1HG2      ILE  56  -0.839  -0.497   3.429
  408   2HG2  ILE  56          2HG2      ILE  56   0.783  -1.224   3.532
  409   3HG2  ILE  56          3HG2      ILE  56   0.393  -0.102   2.206
  410   1HD1  ILE  56          1HD1      ILE  56  -1.562  -2.295   4.467
  411   2HD1  ILE  56          2HD1      ILE  56  -2.715  -3.059   3.349
  412   3HD1  ILE  56          3HD1      ILE  56  -1.793  -4.059   4.498
  413    H    VAL  57           H        VAL  57  -1.764   0.853   1.616
  414    HA   VAL  57           HA       VAL  57  -1.342   1.384  -1.238
  415    HB   VAL  57           HB       VAL  57  -3.497   1.936  -1.330
  416   1HG1  VAL  57          1HG1      VAL  57  -3.510   2.183   1.697
  417   2HG1  VAL  57          2HG1      VAL  57  -4.943   2.356   0.654
  418   3HG1  VAL  57          3HG1      VAL  57  -4.078   0.801   0.729
  419   1HG2  VAL  57          1HG2      VAL  57  -2.547   4.269   0.368
  420   2HG2  VAL  57          2HG2      VAL  57  -2.463   4.137  -1.405
  421   3HG2  VAL  57          3HG2      VAL  57  -4.045   4.238  -0.594
  422    H    TRP  58           H        TRP  58  -0.445   3.575  -1.654
  423    HA   TRP  58           HA       TRP  58   1.858   3.828  -0.183
  424   1HB   TRP  58          1HB       TRP  58   1.430   4.623  -2.511
  425   2HB   TRP  58          2HB       TRP  58   0.547   5.984  -1.846
  426    HD1  TRP  58           HD1      TRP  58   4.170   4.554  -1.808
  427    HE1  TRP  58           HE1      TRP  58   5.930   6.484  -1.437
  428    HE3  TRP  58           HE3      TRP  58   0.751   8.240  -1.052
  429    HZ2  TRP  58           HZ2      TRP  58   5.701   9.273  -0.880
  430    HZ3  TRP  58           HZ3      TRP  58   1.602  10.539  -0.600
  431    HH2  TRP  58           HH2      TRP  58   3.984  11.083  -0.508
  432    HA   PRO  59           HA       PRO  59   3.180   4.854   0.569
  433   1HB   PRO  59          1HB       PRO  59   4.669   5.924   2.596
  434   2HB   PRO  59          2HB       PRO  59   4.472   6.702   1.038
  435   1HG   PRO  59          1HG       PRO  59   3.219   7.390   3.626
  436   2HG   PRO  59          2HG       PRO  59   3.376   8.377   2.184
  437   1HD   PRO  59          1HD       PRO  59   1.012   7.030   3.094
  438   2HD   PRO  59          2HD       PRO  59   1.201   7.920   1.596
  439    H    LEU  60           H        LEU  60   4.932   3.554   2.034
  440    HA   LEU  60           HA       LEU  60   3.477   2.612   4.397
  441   1HB   LEU  60          1HB       LEU  60   6.161   1.547   3.816
  442   2HB   LEU  60          2HB       LEU  60   4.710   0.735   4.369
  443    HG   LEU  60           HG       LEU  60   4.037   1.396   1.780
  444   1HD1  LEU  60          1HD1      LEU  60   7.000   0.797   1.877
  445   2HD1  LEU  60          2HD1      LEU  60   5.998   0.566   0.425
  446   3HD1  LEU  60          3HD1      LEU  60   6.179   2.189   1.132
  447   1HD2  LEU  60          1HD2      LEU  60   5.259  -1.140   2.893
  448   2HD2  LEU  60          2HD2      LEU  60   3.534  -0.718   2.776
  449   3HD2  LEU  60          3HD2      LEU  60   4.478  -1.019   1.298
  450    HA   PRO  61           HA       PRO  61   5.356   5.205   6.983
  451   1HB   PRO  61          1HB       PRO  61   5.910   3.811   9.267
  452   2HB   PRO  61          2HB       PRO  61   4.285   4.268   8.792
  453   1HG   PRO  61          1HG       PRO  61   5.577   1.612   8.661
  454   2HG   PRO  61          2HG       PRO  61   3.871   2.007   8.602
  455   1HD   PRO  61          1HD       PRO  61   5.542   1.278   6.387
  456   2HD   PRO  61          2HD       PRO  61   3.866   1.784   6.313
  457    H    ASN  62           H        ASN  62   7.483   2.380   7.167
  458    HA   ASN  62           HA       ASN  62   9.506   4.183   8.134
  459   1HB   ASN  62          1HB       ASN  62  10.767   2.072   8.632
  460   2HB   ASN  62          2HB       ASN  62   9.161   2.044   9.335
  461   1HD2  ASN  62          1HD2      ASN  62  10.137  -1.119   7.394
  462   2HD2  ASN  62          2HD2      ASN  62  11.009  -0.103   8.493
  463    H    LYS  63           H        LYS  63   8.372   3.249   5.156
  464    HA   LYS  63           HA       LYS  63  10.777   4.004   3.855
  465   1HB   LYS  63          1HB       LYS  63  11.239   1.973   2.636
  466   2HB   LYS  63          2HB       LYS  63  11.344   1.656   4.356
  467   1HG   LYS  63          1HG       LYS  63   8.834   0.920   4.171
  468   2HG   LYS  63          2HG       LYS  63   9.113   0.877   2.441
  469   1HD   LYS  63          1HD       LYS  63  10.943  -0.585   4.387
  470   2HD   LYS  63          2HD       LYS  63   9.480  -1.326   3.771
  471   1HE   LYS  63          1HE       LYS  63  11.531  -0.117   1.876
  472   2HE   LYS  63          2HE       LYS  63  11.723  -1.749   2.486
  473   1HZ   LYS  63          1HZ       LYS  63   9.297  -0.801   1.129
  474   2HZ   LYS  63          2HZ       LYS  63  10.509  -1.601   0.380
  475   3HZ   LYS  63          3HZ       LYS  63   9.643  -2.341   1.550
  476    H    ARG  64           H        ARG  64  10.110   5.246   2.191
  477    HA   ARG  64           HA       ARG  64   7.603   4.456   0.945
  478   1HB   ARG  64          1HB       ARG  64   7.282   7.033   0.595
  479   2HB   ARG  64          2HB       ARG  64   6.933   6.371   2.179
  480   1HG   ARG  64          1HG       ARG  64   9.764   7.250   1.690
  481   2HG   ARG  64          2HG       ARG  64   8.560   8.518   1.799
  482   1HD   ARG  64          1HD       ARG  64   7.847   7.746   4.017
  483   2HD   ARG  64          2HD       ARG  64   8.854   6.317   3.895
  484    HE   ARG  64           HE       ARG  64  10.447   8.711   3.553
  485   1HH1  ARG  64          2HH1      ARG  64   8.785   6.838   6.026
  486   2HH1  ARG  64          1HH1      ARG  64   9.888   7.282   7.284
  487   1HH2  ARG  64          1HH2      ARG  64  11.905   9.295   5.214
  488   2HH2  ARG  64          2HH2      ARG  64  11.658   8.713   6.827
  489    H    CYS  65           H        CYS  65   7.474   4.907  -1.374
  490    HA   CYS  65           HA       CYS  65   9.775   5.038  -2.866
  491   1HB   CYS  65          1HB       CYS  65   7.423   4.475  -3.614
  492   2HB   CYS  65          2HB       CYS  65   7.113   6.197  -3.695
  493    H    SER  66           H        SER  66  10.966   6.790  -3.797
  494    HA   SER  66           HA       SER  66  10.998   9.123  -2.255
  495   1HB   SER  66          1HB       SER  66  12.693   9.895  -3.937
  496   2HB   SER  66          2HB       SER  66  13.038   8.304  -3.290
  497    HG   SER  66           HG       SER  66  12.136   9.046  -5.899
  498   1HN   NH2  67          1H        SER  66   9.759   8.254  -5.457
  499   2HN   NH2  67          2H        SER  66   8.843   9.697  -5.745
   
  No H/Q in entry =         499
  Start of MODEL    5
    1   1H    LYS   1          1H        LYS   1  -6.423  -1.013   0.127
    2   2H    LYS   1          2H        LYS   1  -6.899  -1.154   1.707
    3   3H    LYS   1          3H        LYS   1  -7.384  -2.279   0.592
    4    HA   LYS   1           HA       LYS   1  -9.131  -1.185   0.092
    5   1HB   LYS   1          1HB       LYS   1  -9.966   0.324   1.637
    6   2HB   LYS   1          2HB       LYS   1  -8.767  -0.545   2.574
    7   1HG   LYS   1          1HG       LYS   1  -7.097   1.284   2.070
    8   2HG   LYS   1          2HG       LYS   1  -8.354   2.164   1.222
    9   1HD   LYS   1          1HD       LYS   1  -9.132   1.287   3.956
   10   2HD   LYS   1          2HD       LYS   1  -7.788   2.411   3.927
   11   1HE   LYS   1          1HE       LYS   1  -9.852   3.702   4.065
   12   2HE   LYS   1          2HE       LYS   1  -9.152   3.963   2.480
   13   1HZ   LYS   1          1HZ       LYS   1 -11.188   1.911   2.976
   14   2HZ   LYS   1          2HZ       LYS   1 -11.563   3.437   2.528
   15   3HZ   LYS   1          3HZ       LYS   1 -10.683   2.486   1.533
   16    H    GLU   2           H        GLU   2  -9.823   1.504  -0.425
   17    HA   GLU   2           HA       GLU   2  -8.718   1.080  -3.017
   18   1HB   GLU   2          1HB       GLU   2 -10.818   3.165  -2.385
   19   2HB   GLU   2          2HB       GLU   2 -10.635   2.197  -3.834
   20   1HG   GLU   2          1HG       GLU   2 -12.271   0.885  -2.928
   21   2HG   GLU   2          2HG       GLU   2 -10.983   0.218  -1.945
   22    H    GLY   3           H        GLY   3  -7.017   2.229  -3.846
   23   1HA   GLY   3          1HA       GLY   3  -6.532   4.948  -3.564
   24   2HA   GLY   3          2HA       GLY   3  -5.774   4.163  -2.193
   25    H    TYR   4           H        TYR   4  -3.872   5.241  -3.537
   26    HA   TYR   4           HA       TYR   4  -3.106   3.885  -5.921
   27   1HB   TYR   4          1HB       TYR   4  -1.720   5.720  -3.869
   28   2HB   TYR   4          2HB       TYR   4  -0.982   5.282  -5.396
   29    HD1  TYR   4           HD1      TYR   4  -2.244   5.928  -7.563
   30    HD2  TYR   4           HD2      TYR   4  -3.146   7.586  -3.723
   31    HE1  TYR   4           HE1      TYR   4  -3.395   7.902  -8.677
   32    HE2  TYR   4           HE2      TYR   4  -4.295   9.554  -4.851
   33    HH   TYR   4           HH       TYR   4  -4.327   9.837  -8.389
   34    H    LEU   5           H        LEU   5  -2.812   1.665  -5.605
   35    HA   LEU   5           HA       LEU   5  -1.778   0.437  -3.410
   36   1HB   LEU   5          1HB       LEU   5  -1.708  -1.448  -4.673
   37   2HB   LEU   5          2HB       LEU   5  -2.801  -0.460  -5.620
   38    HG   LEU   5           HG       LEU   5   0.158  -0.638  -6.222
   39   1HD1  LEU   5          1HD1      LEU   5  -0.876  -2.897  -6.271
   40   2HD1  LEU   5          2HD1      LEU   5  -2.036  -2.304  -7.484
   41   3HD1  LEU   5          3HD1      LEU   5  -0.297  -2.342  -7.860
   42   1HD2  LEU   5          1HD2      LEU   5  -2.229   0.276  -7.851
   43   2HD2  LEU   5          2HD2      LEU   5  -0.921   1.289  -7.194
   44   3HD2  LEU   5          3HD2      LEU   5  -0.569   0.102  -8.473
   45    H    VAL   6           H        VAL   6   0.261  -0.091  -2.600
   46    HA   VAL   6           HA       VAL   6   2.416   1.508  -3.789
   47    HB   VAL   6           HB       VAL   6   1.570   2.045  -1.480
   48   1HG1  VAL   6          1HG1      VAL   6   1.169  -0.266  -0.724
   49   2HG1  VAL   6          2HG1      VAL   6   2.922  -0.579  -0.766
   50   3HG1  VAL   6          3HG1      VAL   6   2.257   0.612   0.378
   51   1HG2  VAL   6          1HG2      VAL   6   3.866   2.606  -2.398
   52   2HG2  VAL   6          2HG2      VAL   6   3.740   2.537  -0.623
   53   3HG2  VAL   6          3HG2      VAL   6   4.476   1.185  -1.517
   54    H    ASP   7           H        ASP   7   4.587   0.552  -3.854
   55    HA   ASP   7           HA       ASP   7   4.180  -2.069  -4.900
   56   1HB   ASP   7          1HB       ASP   7   5.466  -0.484  -6.223
   57   2HB   ASP   7          2HB       ASP   7   6.533  -0.132  -4.877
   58    H    LYS   8           H        LYS   8   5.102  -4.001  -4.039
   59    HA   LYS   8           HA       LYS   8   5.712  -3.844  -1.264
   60   1HB   LYS   8          1HB       LYS   8   5.127  -5.954  -3.266
   61   2HB   LYS   8          2HB       LYS   8   6.134  -6.446  -1.921
   62   1HG   LYS   8          1HG       LYS   8   3.891  -6.824  -1.182
   63   2HG   LYS   8          2HG       LYS   8   4.394  -5.357  -0.366
   64   1HD   LYS   8          1HD       LYS   8   3.201  -3.960  -1.983
   65   2HD   LYS   8          2HD       LYS   8   2.860  -5.343  -3.004
   66   1HE   LYS   8          1HE       LYS   8   1.916  -5.353  -0.123
   67   2HE   LYS   8          2HE       LYS   8   1.011  -4.450  -1.322
   68   1HZ   LYS   8          1HZ       LYS   8   1.739  -7.268  -1.691
   69   2HZ   LYS   8          2HZ       LYS   8   0.332  -6.798  -1.008
   70   3HZ   LYS   8          3HZ       LYS   8   0.662  -6.398  -2.557
   71    H    ASN   9           H        ASN   9   7.544  -3.948  -4.268
   72    HA   ASN   9           HA       ASN   9   9.925  -4.855  -3.058
   73   1HB   ASN   9          1HB       ASN   9   9.086  -3.725  -5.711
   74   2HB   ASN   9          2HB       ASN   9  10.774  -3.502  -5.299
   75   1HD2  ASN   9          1HD2      ASN   9  11.224  -6.604  -6.884
   76   2HD2  ASN   9          2HD2      ASN   9  11.280  -4.881  -7.048
   77    H    THR  10           H        THR  10   9.348  -1.679  -4.769
   78    HA   THR  10           HA       THR  10  11.505  -0.623  -3.104
   79    HB   THR  10           HB       THR  10  11.737   0.983  -4.983
   80    HG1  THR  10           HG1      THR  10  10.115   0.597  -6.757
   81   1HG2  THR  10          1HG2      THR  10  12.451  -1.584  -5.245
   82   2HG2  THR  10          2HG2      THR  10  11.097  -1.617  -6.400
   83   3HG2  THR  10          3HG2      THR  10  12.463  -0.506  -6.662
   84    H    GLY  11           H        GLY  11   8.118  -0.636  -3.148
   85   1HA   GLY  11          1HA       GLY  11   6.630   0.674  -2.022
   86   2HA   GLY  11          2HA       GLY  11   7.916   1.776  -1.571
   87    H    CYS  12           H        CYS  12   8.331   1.257  -4.860
   88    HA   CYS  12           HA       CYS  12   6.919   3.757  -5.396
   89   1HB   CYS  12          1HB       CYS  12   9.558   2.862  -5.960
   90   2HB   CYS  12          2HB       CYS  12   8.726   3.018  -7.494
   91    H    LYS  13           H        LYS  13   8.012   0.878  -7.412
   92    HA   LYS  13           HA       LYS  13   7.390   1.022  -9.642
   93   1HB   LYS  13          1HB       LYS  13   6.728  -1.102  -8.422
   94   2HB   LYS  13          2HB       LYS  13   5.096  -0.469  -8.348
   95   1HG   LYS  13          1HG       LYS  13   4.824  -0.517 -10.710
   96   2HG   LYS  13          2HG       LYS  13   6.551  -0.552 -11.007
   97   1HD   LYS  13          1HD       LYS  13   6.715  -2.854 -10.176
   98   2HD   LYS  13          2HD       LYS  13   5.047  -2.830  -9.640
   99   1HE   LYS  13          1HE       LYS  13   4.277  -2.561 -11.998
  100   2HE   LYS  13          2HE       LYS  13   5.940  -2.537 -12.550
  101   1HZ   LYS  13          1HZ       LYS  13   5.175  -4.784 -10.914
  102   2HZ   LYS  13          2HZ       LYS  13   4.524  -4.730 -12.411
  103   3HZ   LYS  13          3HZ       LYS  13   6.146  -4.732 -12.227
  104    H    TYR  14           H        TYR  14   3.934   1.300  -8.264
  105    HA   TYR  14           HA       TYR  14   2.630   1.006 -10.149
  106   1HB   TYR  14          1HB       TYR  14   2.820   3.919 -10.622
  107   2HB   TYR  14          2HB       TYR  14   1.498   3.030  -9.891
  108    HD1  TYR  14           HD1      TYR  14   1.590   2.502  -7.411
  109    HD2  TYR  14           HD2      TYR  14   4.343   5.181  -9.295
  110    HE1  TYR  14           HE1      TYR  14   2.188   3.490  -5.147
  111    HE2  TYR  14           HE2      TYR  14   4.931   6.161  -7.024
  112    HH   TYR  14           HH       TYR  14   4.674   6.013  -4.881
  113    H    GLU  15           H        GLU  15   4.772   3.812 -11.065
  114    HA   GLU  15           HA       GLU  15   5.145   4.566 -13.091
  115   1HB   GLU  15          1HB       GLU  15   7.096   3.114 -12.725
  116   2HB   GLU  15          2HB       GLU  15   6.233   1.730 -13.368
  117   1HG   GLU  15          1HG       GLU  15   7.808   2.819 -15.025
  118   2HG   GLU  15          2HG       GLU  15   6.156   2.691 -15.593
  119    H    CYS  16           H        CYS  16   2.748   4.733 -13.653
  120    HA   CYS  16           HA       CYS  16   2.833   3.509 -16.304
  121   1HB   CYS  16          1HB       CYS  16   0.372   3.654 -16.437
  122   2HB   CYS  16          2HB       CYS  16   0.952   2.478 -15.273
  123    H    LEU  17           H        LEU  17   4.211   5.467 -16.706
  124    HA   LEU  17           HA       LEU  17   3.321   8.057 -16.546
  125   1HB   LEU  17          1HB       LEU  17   4.818   8.521 -18.368
  126   2HB   LEU  17          2HB       LEU  17   5.551   7.399 -17.238
  127    HG   LEU  17           HG       LEU  17   4.477   5.656 -19.042
  128   1HD1  LEU  17          1HD1      LEU  17   3.687   7.442 -20.511
  129   2HD1  LEU  17          2HD1      LEU  17   5.343   8.081 -20.640
  130   3HD1  LEU  17          3HD1      LEU  17   4.956   6.472 -21.297
  131   1HD2  LEU  17          1HD2      LEU  17   7.209   6.964 -19.125
  132   2HD2  LEU  17          2HD2      LEU  17   6.729   5.544 -18.164
  133   3HD2  LEU  17          3HD2      LEU  17   6.768   5.445 -19.941
  134    H    LYS  18           H        LYS  18   2.176   9.460 -18.022
  135    HA   LYS  18           HA       LYS  18   0.364   9.970 -19.172
  136   1HB   LYS  18          1HB       LYS  18   1.723   8.897 -21.006
  137   2HB   LYS  18          2HB       LYS  18   0.814   7.421 -20.748
  138   1HG   LYS  18          1HG       LYS  18  -1.285   9.099 -20.966
  139   2HG   LYS  18          2HG       LYS  18  -0.125  10.062 -21.860
  140   1HD   LYS  18          1HD       LYS  18  -1.133   8.703 -23.527
  141   2HD   LYS  18          2HD       LYS  18   0.397   7.908 -23.211
  142   1HE   LYS  18          1HE       LYS  18  -1.410   6.235 -23.277
  143   2HE   LYS  18          2HE       LYS  18  -0.738   6.314 -21.660
  144   1HZ   LYS  18          1HZ       LYS  18  -3.031   7.978 -22.341
  145   2HZ   LYS  18          2HZ       LYS  18  -3.257   6.402 -21.981
  146   3HZ   LYS  18          3HZ       LYS  18  -2.577   7.401 -20.882
  147    H    LEU  19           H        LEU  19  -1.138   9.884 -17.492
  148    HA   LEU  19           HA       LEU  19  -2.332   7.612 -16.494
  149   1HB   LEU  19          1HB       LEU  19  -4.020   9.036 -15.667
  150   2HB   LEU  19          2HB       LEU  19  -2.507   9.919 -15.609
  151    HG   LEU  19           HG       LEU  19  -4.201  10.324 -18.026
  152   1HD1  LEU  19          1HD1      LEU  19  -4.939  11.470 -15.319
  153   2HD1  LEU  19          2HD1      LEU  19  -5.624  11.972 -16.884
  154   3HD1  LEU  19          3HD1      LEU  19  -5.895  10.319 -16.283
  155   1HD2  LEU  19          1HD2      LEU  19  -2.345  11.975 -16.324
  156   2HD2  LEU  19          2HD2      LEU  19  -2.234  11.570 -18.054
  157   3HD2  LEU  19          3HD2      LEU  19  -3.457  12.734 -17.491
  158    H    GLY  20           H        GLY  20  -4.578   6.783 -16.907
  159   1HA   GLY  20          1HA       GLY  20  -6.423   6.673 -18.436
  160   2HA   GLY  20          2HA       GLY  20  -5.323   7.016 -19.757
  161    H    ASP  21           H        ASP  21  -3.127   5.255 -18.886
  162    HA   ASP  21           HA       ASP  21  -4.341   3.011 -20.214
  163   1HB   ASP  21          1HB       ASP  21  -1.480   3.938 -19.755
  164   2HB   ASP  21          2HB       ASP  21  -1.814   2.342 -20.398
  165    H    ASN  22           H        ASN  22  -5.178   1.520 -18.702
  166    HA   ASN  22           HA       ASN  22  -3.187   0.511 -16.835
  167   1HB   ASN  22          1HB       ASN  22  -5.463  -0.163 -15.518
  168   2HB   ASN  22          2HB       ASN  22  -4.641   1.358 -15.228
  169   1HD2  ASN  22          1HD2      ASN  22  -8.249   1.152 -17.205
  170   2HD2  ASN  22          2HD2      ASN  22  -7.222  -0.229 -17.016
  171    H    ASP  23           H        ASP  23  -2.800  -1.150 -18.672
  172    HA   ASP  23           HA       ASP  23  -4.707  -3.269 -18.116
  173   1HB   ASP  23          1HB       ASP  23  -3.925  -3.252 -20.415
  174   2HB   ASP  23          2HB       ASP  23  -2.255  -3.081 -19.914
  175    H    TYR  24           H        TYR  24  -1.200  -2.326 -17.859
  176    HA   TYR  24           HA       TYR  24  -0.441  -4.713 -16.558
  177   1HB   TYR  24          1HB       TYR  24   0.763  -1.877 -16.688
  178   2HB   TYR  24          2HB       TYR  24   1.667  -3.304 -16.223
  179    HD1  TYR  24           HD1      TYR  24   1.598  -5.284 -18.031
  180    HD2  TYR  24           HD2      TYR  24   0.920  -1.148 -18.888
  181    HE1  TYR  24           HE1      TYR  24   2.213  -5.680 -20.466
  182    HE2  TYR  24           HE2      TYR  24   1.537  -1.558 -21.320
  183    HH   TYR  24           HH       TYR  24   2.057  -3.023 -22.820
  184    H    CYS  25           H        CYS  25  -1.848  -1.679 -15.454
  185    HA   CYS  25           HA       CYS  25  -0.875  -1.968 -12.782
  186   1HB   CYS  25          1HB       CYS  25  -2.657  -0.060 -14.230
  187   2HB   CYS  25          2HB       CYS  25  -2.798  -0.159 -12.486
  188    H    LEU  26           H        LEU  26  -3.972  -2.466 -14.611
  189    HA   LEU  26           HA       LEU  26  -5.484  -3.601 -12.622
  190   1HB   LEU  26          1HB       LEU  26  -5.687  -3.219 -15.320
  191   2HB   LEU  26          2HB       LEU  26  -5.571  -4.965 -15.226
  192    HG   LEU  26           HG       LEU  26  -7.569  -3.361 -13.617
  193   1HD1  LEU  26          1HD1      LEU  26  -7.952  -4.667 -16.325
  194   2HD1  LEU  26          2HD1      LEU  26  -9.247  -3.995 -15.305
  195   3HD1  LEU  26          3HD1      LEU  26  -7.989  -2.924 -15.967
  196   1HD2  LEU  26          1HD2      LEU  26  -7.088  -5.578 -12.726
  197   2HD2  LEU  26          2HD2      LEU  26  -8.733  -5.509 -13.402
  198   3HD2  LEU  26          3HD2      LEU  26  -7.430  -6.308 -14.313
  199    H    ARG  27           H        ARG  27  -2.888  -5.086 -14.652
  200    HA   ARG  27           HA       ARG  27  -3.273  -7.634 -13.616
  201   1HB   ARG  27          1HB       ARG  27  -0.963  -6.250 -15.036
  202   2HB   ARG  27          2HB       ARG  27  -0.789  -7.900 -14.471
  203   1HG   ARG  27          1HG       ARG  27  -3.148  -7.053 -16.200
  204   2HG   ARG  27          2HG       ARG  27  -1.622  -7.541 -16.911
  205   1HD   ARG  27          1HD       ARG  27  -3.416  -9.228 -15.105
  206   2HD   ARG  27          2HD       ARG  27  -3.090  -9.496 -16.806
  207    HE   ARG  27           HE       ARG  27  -1.415 -10.314 -14.598
  208   1HH1  ARG  27          2HH1      ARG  27  -1.397  -9.444 -18.002
  209   2HH1  ARG  27          1HH1      ARG  27   0.225  -9.989 -18.269
  210   1HH2  ARG  27          1HH2      ARG  27   0.716 -11.079 -14.954
  211   2HH2  ARG  27          2HH2      ARG  27   1.403 -11.003 -16.543
  212    H    GLU  28           H        GLU  28  -1.153  -4.867 -12.701
  213    HA   GLU  28           HA       GLU  28   0.466  -6.214 -10.936
  214   1HB   GLU  28          1HB       GLU  28   0.604  -3.785 -11.864
  215   2HB   GLU  28          2HB       GLU  28  -0.436  -3.342 -10.525
  216   1HG   GLU  28          1HG       GLU  28   1.756  -3.003  -9.674
  217   2HG   GLU  28          2HG       GLU  28   1.279  -4.545  -8.992
  218    H    CYS  29           H        CYS  29  -2.575  -4.328 -10.286
  219    HA   CYS  29           HA       CYS  29  -2.668  -4.759  -7.580
  220   1HB   CYS  29          1HB       CYS  29  -4.202  -3.431  -9.360
  221   2HB   CYS  29          2HB       CYS  29  -5.252  -4.797  -9.036
  222    H    LYS  30           H        LYS  30  -3.630  -6.820 -10.358
  223    HA   LYS  30           HA       LYS  30  -5.163  -8.637  -8.854
  224   1HB   LYS  30          1HB       LYS  30  -5.029  -8.137 -11.436
  225   2HB   LYS  30          2HB       LYS  30  -3.797  -9.383 -11.424
  226   1HG   LYS  30          1HG       LYS  30  -5.305 -11.056 -10.663
  227   2HG   LYS  30          2HG       LYS  30  -6.447  -9.884 -10.036
  228   1HD   LYS  30          1HD       LYS  30  -6.945  -9.142 -12.391
  229   2HD   LYS  30          2HD       LYS  30  -5.841 -10.362 -12.993
  230   1HE   LYS  30          1HE       LYS  30  -7.223 -12.160 -12.002
  231   2HE   LYS  30          2HE       LYS  30  -8.285 -10.978 -11.264
  232   1HZ   LYS  30          1HZ       LYS  30  -7.867 -11.300 -14.155
  233   2HZ   LYS  30          2HZ       LYS  30  -9.179 -11.803 -13.321
  234   3HZ   LYS  30          3HZ       LYS  30  -8.864 -10.208 -13.462
  235    H    GLN  31           H        GLN  31  -1.714  -8.592  -9.936
  236    HA   GLN  31           HA       GLN  31  -1.355 -11.012  -8.358
  237   1HB   GLN  31          1HB       GLN  31   0.415  -9.866 -10.564
  238   2HB   GLN  31          2HB       GLN  31   0.683 -11.384  -9.729
  239   1HG   GLN  31          1HG       GLN  31  -1.479 -12.265 -10.581
  240   2HG   GLN  31          2HG       GLN  31  -1.816 -10.734 -11.363
  241   1HE2  GLN  31          1HE2      GLN  31   1.058 -13.325 -12.842
  242   2HE2  GLN  31          2HE2      GLN  31   0.544 -13.370 -11.190
  243    H    GLN  32           H        GLN  32  -1.578  -8.574  -6.937
  244    HA   GLN  32           HA       GLN  32   0.778  -9.011  -5.462
  245   1HB   GLN  32          1HB       GLN  32   1.870  -6.947  -5.581
  246   2HB   GLN  32          2HB       GLN  32   1.366  -7.172  -7.245
  247   1HG   GLN  32          1HG       GLN  32   0.424  -5.102  -7.045
  248   2HG   GLN  32          2HG       GLN  32  -0.865  -5.928  -6.191
  249   1HE2  GLN  32          1HE2      GLN  32   1.631  -3.313  -4.336
  250   2HE2  GLN  32          2HE2      GLN  32   1.776  -3.761  -6.002
  251    H    TYR  33           H        TYR  33  -2.307  -7.245  -6.029
  252    HA   TYR  33           HA       TYR  33  -2.850  -8.135  -3.279
  253   1HB   TYR  33          1HB       TYR  33  -3.664  -5.690  -4.925
  254   2HB   TYR  33          2HB       TYR  33  -4.776  -6.279  -3.705
  255    HD1  TYR  33           HD1      TYR  33  -3.056  -7.032  -1.471
  256    HD2  TYR  33           HD2      TYR  33  -2.728  -3.709  -4.145
  257    HE1  TYR  33           HE1      TYR  33  -1.795  -5.719   0.303
  258    HE2  TYR  33           HE2      TYR  33  -1.468  -2.407  -2.362
  259    HH   TYR  33           HH       TYR  33  -0.755  -2.379  -0.325
  260    H    GLY  34           H        GLY  34  -3.085 -10.120  -5.153
  261   1HA   GLY  34          1HA       GLY  34  -4.591 -11.766  -4.667
  262   2HA   GLY  34          2HA       GLY  34  -5.768 -10.568  -4.166
  263    H    LYS  35           H        LYS  35  -5.747 -12.991  -6.149
  264    HA   LYS  35           HA       LYS  35  -6.075 -11.759  -8.710
  265   1HB   LYS  35          1HB       LYS  35  -6.452 -14.589  -7.700
  266   2HB   LYS  35          2HB       LYS  35  -6.722 -14.117  -9.365
  267   1HG   LYS  35          1HG       LYS  35  -4.417 -13.456  -9.662
  268   2HG   LYS  35          2HG       LYS  35  -4.103 -13.501  -7.939
  269   1HD   LYS  35          1HD       LYS  35  -3.150 -15.515  -8.888
  270   2HD   LYS  35          2HD       LYS  35  -4.563 -15.996  -7.969
  271   1HE   LYS  35          1HE       LYS  35  -5.914 -16.178 -10.002
  272   2HE   LYS  35          2HE       LYS  35  -4.644 -15.463 -10.974
  273   1HZ   LYS  35          1HZ       LYS  35  -4.403 -18.005  -9.520
  274   2HZ   LYS  35          2HZ       LYS  35  -4.674 -17.862 -11.123
  275   3HZ   LYS  35          3HZ       LYS  35  -3.262 -17.348 -10.486
  276    H    GLY  36           H        GLY  36  -7.770 -10.218  -7.439
  277   1HA   GLY  36          1HA       GLY  36  -9.902 -10.721  -9.225
  278   2HA   GLY  36          2HA       GLY  36 -10.453 -10.946  -7.577
  279    H    ALA  37           H        ALA  37  -7.889  -8.660  -8.701
  280    HA   ALA  37           HA       ALA  37  -9.452  -6.575  -7.349
  281   1HB   ALA  37          1HB       ALA  37  -7.292  -7.210  -6.306
  282   2HB   ALA  37          2HB       ALA  37  -6.453  -6.814  -7.826
  283   3HB   ALA  37          3HB       ALA  37  -7.272  -5.532  -6.902
  284    H    GLY  38           H        GLY  38  -8.485  -4.266  -8.241
  285   1HA   GLY  38          1HA       GLY  38  -8.015  -4.177 -11.055
  286   2HA   GLY  38          2HA       GLY  38  -9.696  -3.852 -10.676
  287    H    GLY  39           H        GLY  39  -8.753  -1.701 -11.763
  288   1HA   GLY  39          1HA       GLY  39  -8.320   0.364  -9.967
  289   2HA   GLY  39          2HA       GLY  39  -6.739  -0.287 -10.349
  290    H    TYR  40           H        TYR  40  -6.829   2.186 -11.196
  291    HA   TYR  40           HA       TYR  40  -6.492   1.647 -13.999
  292   1HB   TYR  40          1HB       TYR  40  -7.730   4.036 -14.288
  293   2HB   TYR  40          2HB       TYR  40  -8.674   2.561 -14.275
  294    HD1  TYR  40           HD1      TYR  40  -7.488   5.343 -12.092
  295    HD2  TYR  40           HD2      TYR  40 -10.339   2.200 -12.634
  296    HE1  TYR  40           HE1      TYR  40  -8.833   6.213 -10.119
  297    HE2  TYR  40           HE2      TYR  40 -11.675   3.080 -10.658
  298    HH   TYR  40           HH       TYR  40 -10.522   5.888  -8.811
  299    H    CYS  41           H        CYS  41  -5.419   3.639 -15.090
  300    HA   CYS  41           HA       CYS  41  -3.348   4.432 -13.239
  301   1HB   CYS  41          1HB       CYS  41  -2.762   3.435 -15.408
  302   2HB   CYS  41          2HB       CYS  41  -3.548   4.762 -16.239
  303    H    TYR  42           H        TYR  42  -4.081   6.201 -11.996
  304    HA   TYR  42           HA       TYR  42  -5.160   8.511 -13.336
  305   1HB   TYR  42          1HB       TYR  42  -4.740   7.406 -10.678
  306   2HB   TYR  42          2HB       TYR  42  -3.893   8.939 -10.723
  307    HD1  TYR  42           HD1      TYR  42  -5.703  10.519 -12.516
  308    HD2  TYR  42           HD2      TYR  42  -6.594   7.838  -9.302
  309    HE1  TYR  42           HE1      TYR  42  -7.896  11.736 -12.098
  310    HE2  TYR  42           HE2      TYR  42  -8.783   9.063  -8.897
  311    HH   TYR  42           HH       TYR  42 -10.077  10.679  -9.494
  312    H    ALA  43           H        ALA  43  -3.639  10.528 -11.940
  313    HA   ALA  43           HA       ALA  43  -1.789  11.097 -13.893
  314   1HB   ALA  43          1HB       ALA  43  -1.959  12.047 -11.005
  315   2HB   ALA  43          2HB       ALA  43  -1.004  12.834 -12.283
  316   3HB   ALA  43          3HB       ALA  43  -2.777  12.770 -12.410
  317    H    PHE  44           H        PHE  44  -0.561   9.104 -14.244
  318    HA   PHE  44           HA       PHE  44   1.423   8.144 -14.214
  319   1HB   PHE  44          1HB       PHE  44   2.279  10.218 -12.132
  320   2HB   PHE  44          2HB       PHE  44   3.267   9.517 -13.398
  321    HD1  PHE  44           HD1      PHE  44   1.748   9.899 -15.816
  322    HD2  PHE  44           HD2      PHE  44   2.135  12.492 -12.480
  323    HE1  PHE  44           HE1      PHE  44   1.257  11.869 -17.291
  324    HE2  PHE  44           HE2      PHE  44   1.645  14.463 -13.954
  325    HZ   PHE  44           HZ       PHE  44   1.212  14.128 -16.343
  326    H    ALA  45           H        ALA  45  -0.679   7.637 -11.981
  327    HA   ALA  45           HA       ALA  45   0.758   5.411 -11.111
  328   1HB   ALA  45          1HB       ALA  45   0.567   7.732  -9.190
  329   2HB   ALA  45          2HB       ALA  45   0.524   6.061  -8.579
  330   3HB   ALA  45          3HB       ALA  45   1.934   6.635  -9.502
  331    H    CYS  46           H        CYS  46  -0.744   4.111  -9.424
  332    HA   CYS  46           HA       CYS  46  -3.123   4.324 -11.116
  333   1HB   CYS  46          1HB       CYS  46  -1.531   1.893 -10.284
  334   2HB   CYS  46          2HB       CYS  46  -3.077   1.820 -11.106
  335    H    TRP  47           H        TRP  47  -4.988   4.605  -9.944
  336    HA   TRP  47           HA       TRP  47  -4.995   3.963  -7.129
  337   1HB   TRP  47          1HB       TRP  47  -5.993   6.031  -7.794
  338   2HB   TRP  47          2HB       TRP  47  -7.010   5.237  -8.980
  339    HD1  TRP  47           HD1      TRP  47  -8.760   3.254  -7.653
  340    HE1  TRP  47           HE1      TRP  47 -10.298   3.601  -5.536
  341    HE3  TRP  47           HE3      TRP  47  -6.254   7.290  -5.842
  342    HZ2  TRP  47           HZ2      TRP  47 -10.292   5.482  -3.390
  343    HZ3  TRP  47           HZ3      TRP  47  -7.086   8.323  -3.730
  344    HH2  TRP  47           HH2      TRP  47  -9.032   7.482  -2.513
  345    H    CYS  48           H        CYS  48  -5.498   1.938  -6.413
  346    HA   CYS  48           HA       CYS  48  -6.907   0.164  -8.210
  347   1HB   CYS  48          1HB       CYS  48  -5.349  -0.168  -5.678
  348   2HB   CYS  48          2HB       CYS  48  -6.531  -1.388  -6.107
  349    H    THR  49           H        THR  49  -8.920  -0.936  -7.505
  350    HA   THR  49           HA       THR  49 -10.429   0.326  -5.402
  351    HB   THR  49           HB       THR  49 -10.540   2.103  -7.091
  352    HG1  THR  49           HG1      THR  49 -12.822   2.041  -7.126
  353   1HG2  THR  49          1HG2      THR  49 -10.910  -0.238  -8.936
  354   2HG2  THR  49          2HG2      THR  49 -11.944   1.177  -9.250
  355   3HG2  THR  49          3HG2      THR  49 -10.172   1.349  -9.259
  356    H    HIS  50           H        HIS  50  -9.582  -2.394  -5.969
  357    HA   HIS  50           HA       HIS  50 -12.252  -3.252  -5.333
  358   1HB   HIS  50          1HB       HIS  50 -10.659  -4.459  -7.589
  359   2HB   HIS  50          2HB       HIS  50 -11.794  -5.431  -6.674
  360    HD1  HIS  50           HD1      HIS  50 -14.360  -4.327  -6.583
  361    HD2  HIS  50           HD2      HIS  50 -11.801  -3.117  -9.679
  362    HE1  HIS  50           HE1      HIS  50 -15.853  -3.326  -8.395
  363    H    LEU  51           H        LEU  51 -11.059  -2.974  -3.210
  364    HA   LEU  51           HA       LEU  51  -8.981  -5.020  -2.860
  365   1HB   LEU  51          1HB       LEU  51  -8.892  -2.106  -2.073
  366   2HB   LEU  51          2HB       LEU  51  -7.769  -3.315  -1.485
  367    HG   LEU  51           HG       LEU  51  -8.147  -2.648  -4.416
  368   1HD1  LEU  51          1HD1      LEU  51  -6.369  -1.445  -2.325
  369   2HD1  LEU  51          2HD1      LEU  51  -5.778  -1.603  -3.996
  370   3HD1  LEU  51          3HD1      LEU  51  -7.256  -0.669  -3.659
  371   1HD2  LEU  51          1HD2      LEU  51  -6.253  -4.434  -2.906
  372   2HD2  LEU  51          2HD2      LEU  51  -7.243  -4.791  -4.342
  373   3HD2  LEU  51          3HD2      LEU  51  -5.811  -3.744  -4.486
  374    H    TYR  52           H        TYR  52  -8.490  -5.306  -0.396
  375    HA   TYR  52           HA       TYR  52 -10.990  -4.983   1.112
  376   1HB   TYR  52          1HB       TYR  52  -9.204  -6.554   2.584
  377   2HB   TYR  52          2HB       TYR  52 -10.397  -7.216   1.485
  378    HD1  TYR  52           HD1      TYR  52  -9.745  -7.982  -0.771
  379    HD2  TYR  52           HD2      TYR  52  -6.842  -6.505   2.004
  380    HE1  TYR  52           HE1      TYR  52  -7.881  -8.998  -2.169
  381    HE2  TYR  52           HE2      TYR  52  -4.988  -7.525   0.596
  382    HH   TYR  52           HH       TYR  52  -4.538  -8.927  -1.042
  383    H    GLU  53           H        GLU  53 -10.403  -4.792   3.639
  384    HA   GLU  53           HA       GLU  53  -9.591  -2.170   3.806
  385   1HB   GLU  53          1HB       GLU  53  -9.712  -2.528   6.283
  386   2HB   GLU  53          2HB       GLU  53 -11.116  -3.144   5.433
  387   1HG   GLU  53          1HG       GLU  53  -8.895  -5.111   5.737
  388   2HG   GLU  53          2HG       GLU  53  -9.622  -4.596   7.246
  389    H    GLN  54           H        GLN  54  -7.743  -5.144   3.818
  390    HA   GLN  54           HA       GLN  54  -5.451  -3.668   4.858
  391   1HB   GLN  54          1HB       GLN  54  -6.332  -6.532   5.128
  392   2HB   GLN  54          2HB       GLN  54  -4.609  -6.215   5.086
  393   1HG   GLN  54          1HG       GLN  54  -4.760  -4.703   6.998
  394   2HG   GLN  54          2HG       GLN  54  -6.511  -4.733   6.954
  395   1HE2  GLN  54          1HE2      GLN  54  -6.929  -7.890   8.477
  396   2HE2  GLN  54          2HE2      GLN  54  -7.621  -6.704   7.421
  397    H    ALA  55           H        ALA  55  -6.323  -3.413   2.077
  398    HA   ALA  55           HA       ALA  55  -3.771  -4.379   0.991
  399   1HB   ALA  55          1HB       ALA  55  -6.261  -4.360  -0.162
  400   2HB   ALA  55          2HB       ALA  55  -5.601  -2.809  -0.732
  401   3HB   ALA  55          3HB       ALA  55  -4.730  -4.323  -1.069
  402    H    ILE  56           H        ILE  56  -2.081  -3.022   1.376
  403    HA   ILE  56           HA       ILE  56  -2.712  -0.485   2.534
  404    HB   ILE  56           HB       ILE  56  -0.055  -1.806   1.973
  405   1HG1  ILE  56          1HG1      ILE  56  -1.323  -3.252   3.389
  406   2HG1  ILE  56          2HG1      ILE  56  -0.147  -2.421   4.387
  407   1HG2  ILE  56          1HG2      ILE  56  -0.832   0.628   3.582
  408   2HG2  ILE  56          2HG2      ILE  56   0.676  -0.272   3.872
  409   3HG2  ILE  56          3HG2      ILE  56   0.382   0.485   2.288
  410   1HD1  ILE  56          1HD1      ILE  56  -2.011  -0.692   4.887
  411   2HD1  ILE  56          2HD1      ILE  56  -3.130  -1.877   4.171
  412   3HD1  ILE  56          3HD1      ILE  56  -2.188  -2.305   5.619
  413    H    VAL  57           H        VAL  57  -2.155   1.592   1.759
  414    HA   VAL  57           HA       VAL  57  -1.501   1.627  -1.105
  415    HB   VAL  57           HB       VAL  57  -3.610   2.275  -1.391
  416   1HG1  VAL  57          1HG1      VAL  57  -3.742   3.011   1.552
  417   2HG1  VAL  57          2HG1      VAL  57  -5.116   3.058   0.422
  418   3HG1  VAL  57          3HG1      VAL  57  -4.326   1.508   0.799
  419   1HG2  VAL  57          1HG2      VAL  57  -2.601   4.794  -0.026
  420   2HG2  VAL  57          2HG2      VAL  57  -2.442   4.382  -1.751
  421   3HG2  VAL  57          3HG2      VAL  57  -4.051   4.688  -1.054
  422    H    TRP  58           H        TRP  58  -0.453   3.667  -1.830
  423    HA   TRP  58           HA       TRP  58   1.838   3.935  -0.368
  424   1HB   TRP  58          1HB       TRP  58   1.657   4.446  -2.736
  425   2HB   TRP  58          2HB       TRP  58   0.646   5.836  -2.394
  426    HD1  TRP  58           HD1      TRP  58   4.321   4.737  -2.283
  427    HE1  TRP  58           HE1      TRP  58   5.934   6.794  -1.920
  428    HE3  TRP  58           HE3      TRP  58   0.649   8.119  -1.315
  429    HZ2  TRP  58           HZ2      TRP  58   5.504   9.542  -1.283
  430    HZ3  TRP  58           HZ3      TRP  58   1.331  10.467  -0.832
  431    HH2  TRP  58           HH2      TRP  58   3.663  11.198  -0.806
  432    HA   PRO  59           HA       PRO  59   3.258   5.031   0.132
  433   1HB   PRO  59          1HB       PRO  59   4.799   5.774   2.262
  434   2HB   PRO  59          2HB       PRO  59   4.664   6.729   0.799
  435   1HG   PRO  59          1HG       PRO  59   3.442   7.213   3.447
  436   2HG   PRO  59          2HG       PRO  59   3.673   8.337   2.122
  437   1HD   PRO  59          1HD       PRO  59   1.219   7.058   2.879
  438   2HD   PRO  59          2HD       PRO  59   1.477   8.091   1.488
  439    H    LEU  60           H        LEU  60   4.776   3.330   1.157
  440    HA   LEU  60           HA       LEU  60   3.449   1.696   3.034
  441   1HB   LEU  60          1HB       LEU  60   6.365   1.982   2.303
  442   2HB   LEU  60          2HB       LEU  60   5.729   0.742   3.366
  443    HG   LEU  60           HG       LEU  60   4.642   1.047   0.575
  444   1HD1  LEU  60          1HD1      LEU  60   7.159  -0.455   1.344
  445   2HD1  LEU  60          2HD1      LEU  60   6.309  -0.593  -0.213
  446   3HD1  LEU  60          3HD1      LEU  60   7.042   0.957   0.265
  447   1HD2  LEU  60          1HD2      LEU  60   4.876  -1.288   2.494
  448   2HD2  LEU  60          2HD2      LEU  60   3.397  -0.400   2.053
  449   3HD2  LEU  60          3HD2      LEU  60   4.240  -1.385   0.833
  450    HA   PRO  61           HA       PRO  61   5.214   3.643   6.710
  451   1HB   PRO  61          1HB       PRO  61   5.656   1.462   8.295
  452   2HB   PRO  61          2HB       PRO  61   4.136   2.333   8.266
  453   1HG   PRO  61          1HG       PRO  61   4.793  -0.289   7.069
  454   2HG   PRO  61          2HG       PRO  61   3.218   0.393   7.421
  455   1HD   PRO  61          1HD       PRO  61   4.473   0.209   4.848
  456   2HD   PRO  61          2HD       PRO  61   2.951   0.995   5.217
  457    H    ASN  62           H        ASN  62   6.828   0.563   5.720
  458    HA   ASN  62           HA       ASN  62   8.776   1.610   7.584
  459   1HB   ASN  62          1HB       ASN  62   9.445  -0.810   7.819
  460   2HB   ASN  62          2HB       ASN  62   7.749  -0.550   8.179
  461   1HD2  ASN  62          1HD2      ASN  62   8.451  -3.478   5.813
  462   2HD2  ASN  62          2HD2      ASN  62   9.222  -2.927   7.263
  463    H    LYS  63           H        LYS  63   8.320   1.467   4.283
  464    HA   LYS  63           HA       LYS  63  10.960   2.187   3.770
  465   1HB   LYS  63          1HB       LYS  63  11.563   0.252   2.249
  466   2HB   LYS  63          2HB       LYS  63  11.678  -0.047   3.971
  467   1HG   LYS  63          1HG       LYS  63   9.619  -1.298   4.005
  468   2HG   LYS  63          2HG       LYS  63   9.150  -0.723   2.417
  469   1HD   LYS  63          1HD       LYS  63  11.393  -1.892   1.620
  470   2HD   LYS  63          2HD       LYS  63  11.273  -2.764   3.135
  471   1HE   LYS  63          1HE       LYS  63  10.084  -4.182   1.687
  472   2HE   LYS  63          2HE       LYS  63   8.785  -3.242   2.394
  473   1HZ   LYS  63          1HZ       LYS  63   8.938  -1.764   0.473
  474   2HZ   LYS  63          2HZ       LYS  63  10.071  -2.730  -0.196
  475   3HZ   LYS  63          3HZ       LYS  63   8.557  -3.292   0.044
  476    H    ARG  64           H        ARG  64   9.106   3.781   3.201
  477    HA   ARG  64           HA       ARG  64   7.726   3.169   0.809
  478   1HB   ARG  64          1HB       ARG  64   7.066   5.619   0.926
  479   2HB   ARG  64          2HB       ARG  64   6.703   4.720   2.386
  480   1HG   ARG  64          1HG       ARG  64   8.400   5.756   3.625
  481   2HG   ARG  64          2HG       ARG  64   9.394   6.065   2.215
  482   1HD   ARG  64          1HD       ARG  64   6.724   7.476   2.639
  483   2HD   ARG  64          2HD       ARG  64   8.220   8.110   3.296
  484    HE   ARG  64           HE       ARG  64   8.605   7.518   0.513
  485   1HH1  ARG  64          2HH1      ARG  64   6.726   9.730   2.496
  486   2HH1  ARG  64          1HH1      ARG  64   6.861  11.049   1.382
  487   1HH2  ARG  64          1HH2      ARG  64   8.870   9.292  -0.915
  488   2HH2  ARG  64          2HH2      ARG  64   8.031  10.775  -0.604
  489    H    CYS  65           H        CYS  65   7.997   4.422  -1.258
  490    HA   CYS  65           HA       CYS  65  10.648   4.572  -2.087
  491   1HB   CYS  65          1HB       CYS  65   8.570   4.249  -3.499
  492   2HB   CYS  65          2HB       CYS  65   8.304   5.976  -3.374
  493    H    SER  66           H        SER  66  12.146   6.252  -2.024
  494    HA   SER  66           HA       SER  66  11.683   8.362  -0.294
  495   1HB   SER  66          1HB       SER  66  13.878   9.205  -1.078
  496   2HB   SER  66          2HB       SER  66  13.931   7.481  -0.767
  497    HG   SER  66           HG       SER  66  14.965   7.974  -2.777
  498   1HN   NH2  67          1H        SER  66  12.514   8.630  -3.764
  499   2HN   NH2  67          2H        SER  66  11.472   9.963  -4.131
   
  No H/Q in entry =         499
  Start of MODEL    6
    1   1H    LYS   1          1H        LYS   1 -11.714  -0.876  -0.942
    2   2H    LYS   1          2H        LYS   1 -10.963  -2.217  -0.328
    3   3H    LYS   1          3H        LYS   1 -12.125  -1.440   0.560
    4    HA   LYS   1           HA       LYS   1 -10.797   0.501   0.698
    5   1HB   LYS   1          1HB       LYS   1 -10.757  -1.401   2.399
    6   2HB   LYS   1          2HB       LYS   1  -9.242  -1.902   1.678
    7   1HG   LYS   1          1HG       LYS   1  -8.473  -0.477   3.366
    8   2HG   LYS   1          2HG       LYS   1  -8.539   0.630   2.010
    9   1HD   LYS   1          1HD       LYS   1 -11.050   1.017   2.860
   10   2HD   LYS   1          2HD       LYS   1 -10.410   0.410   4.374
   11   1HE   LYS   1          1HE       LYS   1  -9.894   2.640   4.689
   12   2HE   LYS   1          2HE       LYS   1  -8.441   2.180   3.822
   13   1HZ   LYS   1          1HZ       LYS   1  -9.618   2.833   1.770
   14   2HZ   LYS   1          2HZ       LYS   1 -10.843   3.419   2.677
   15   3HZ   LYS   1          3HZ       LYS   1  -9.352   4.077   2.795
   16    H    GLU   2           H        GLU   2  -8.752   1.608   0.203
   17    HA   GLU   2           HA       GLU   2  -7.474   0.596  -2.132
   18   1HB   GLU   2          1HB       GLU   2  -8.669   2.728  -3.364
   19   2HB   GLU   2          2HB       GLU   2  -9.223   1.073  -3.514
   20   1HG   GLU   2          1HG       GLU   2 -11.072   2.655  -2.907
   21   2HG   GLU   2          2HG       GLU   2 -10.861   1.382  -1.722
   22    H    GLY   3           H        GLY   3  -6.478   2.779  -3.353
   23   1HA   GLY   3          1HA       GLY   3  -6.597   5.260  -2.362
   24   2HA   GLY   3          2HA       GLY   3  -5.393   4.539  -1.313
   25    H    TYR   4           H        TYR   4  -4.296   2.660  -3.340
   26    HA   TYR   4           HA       TYR   4  -3.159   3.762  -5.504
   27   1HB   TYR   4          1HB       TYR   4  -2.656   5.326  -3.098
   28   2HB   TYR   4          2HB       TYR   4  -1.138   4.570  -3.542
   29    HD1  TYR   4           HD1      TYR   4  -3.708   5.592  -6.012
   30    HD2  TYR   4           HD2      TYR   4   0.017   6.583  -4.155
   31    HE1  TYR   4           HE1      TYR   4  -3.312   7.400  -7.754
   32    HE2  TYR   4           HE2      TYR   4   0.400   8.388  -5.903
   33    HH   TYR   4           HH       TYR   4  -2.071   9.082  -8.350
   34    H    LEU   5           H        LEU   5  -2.806   1.570  -5.966
   35    HA   LEU   5           HA       LEU   5  -1.570  -0.261  -4.333
   36   1HB   LEU   5          1HB       LEU   5  -2.402  -1.310  -6.120
   37   2HB   LEU   5          2HB       LEU   5  -2.145   0.055  -7.188
   38    HG   LEU   5           HG       LEU   5   0.401  -0.692  -6.966
   39   1HD1  LEU   5          1HD1      LEU   5  -0.346  -2.518  -5.314
   40   2HD1  LEU   5          2HD1      LEU   5  -0.933  -3.385  -6.754
   41   3HD1  LEU   5          3HD1      LEU   5   0.791  -2.964  -6.609
   42   1HD2  LEU   5          1HD2      LEU   5  -0.927  -0.503  -9.039
   43   2HD2  LEU   5          2HD2      LEU   5   0.167  -1.907  -9.047
   44   3HD2  LEU   5          3HD2      LEU   5  -1.574  -2.137  -8.754
   45    H    VAL   6           H        VAL   6   0.637  -1.026  -4.152
   46    HA   VAL   6           HA       VAL   6   2.472   1.243  -4.505
   47    HB   VAL   6           HB       VAL   6   1.648   1.242  -2.252
   48   1HG1  VAL   6          1HG1      VAL   6   2.409  -1.692  -2.226
   49   2HG1  VAL   6          2HG1      VAL   6   2.068  -0.751  -0.755
   50   3HG1  VAL   6          3HG1      VAL   6   0.799  -0.974  -1.981
   51   1HG2  VAL   6          1HG2      VAL   6   4.155   1.552  -2.794
   52   2HG2  VAL   6          2HG2      VAL   6   3.688   1.292  -1.096
   53   3HG2  VAL   6          3HG2      VAL   6   4.370  -0.050  -2.047
   54    H    ASP   7           H        ASP   7   4.674   0.717  -4.909
   55    HA   ASP   7           HA       ASP   7   5.198  -1.834  -5.933
   56   1HB   ASP   7          1HB       ASP   7   6.480   0.111  -6.669
   57   2HB   ASP   7          2HB       ASP   7   6.999   0.456  -5.032
   58    H    LYS   8           H        LYS   8   5.882  -3.709  -4.775
   59    HA   LYS   8           HA       LYS   8   5.288  -3.400  -1.988
   60   1HB   LYS   8          1HB       LYS   8   5.411  -5.634  -3.962
   61   2HB   LYS   8          2HB       LYS   8   5.637  -6.046  -2.274
   62   1HG   LYS   8          1HG       LYS   8   3.346  -4.229  -3.073
   63   2HG   LYS   8          2HG       LYS   8   3.193  -5.960  -3.298
   64   1HD   LYS   8          1HD       LYS   8   3.424  -6.407  -0.956
   65   2HD   LYS   8          2HD       LYS   8   4.093  -4.822  -0.628
   66   1HE   LYS   8          1HE       LYS   8   1.702  -5.022   0.105
   67   2HE   LYS   8          2HE       LYS   8   1.936  -3.743  -1.071
   68   1HZ   LYS   8          1HZ       LYS   8   1.106  -6.452  -1.831
   69   2HZ   LYS   8          2HZ       LYS   8   0.041  -5.261  -1.495
   70   3HZ   LYS   8          3HZ       LYS   8   1.069  -5.106  -2.754
   71    H    ASN   9           H        ASN   9   8.110  -3.218  -3.842
   72    HA   ASN   9           HA       ASN   9   9.736  -4.471  -1.819
   73   1HB   ASN   9          1HB       ASN   9  10.067  -3.618  -4.645
   74   2HB   ASN   9          2HB       ASN   9  11.456  -3.218  -3.654
   75   1HD2  ASN   9          1HD2      ASN   9  10.303  -7.165  -4.209
   76   2HD2  ASN   9          2HD2      ASN   9   9.172  -5.858  -4.323
   77    H    THR  10           H        THR  10  10.021  -1.367  -3.727
   78    HA   THR  10           HA       THR  10  11.459  -0.247  -1.457
   79    HB   THR  10           HB       THR  10  11.798   1.566  -3.398
   80    HG1  THR  10           HG1      THR  10  11.407   0.486  -5.453
   81   1HG2  THR  10          1HG2      THR  10  13.595  -0.042  -2.623
   82   2HG2  THR  10          2HG2      THR  10  12.911  -1.271  -3.714
   83   3HG2  THR  10          3HG2      THR  10  13.619   0.218  -4.383
   84    H    GLY  11           H        GLY  11   8.272  -0.247  -2.747
   85   1HA   GLY  11          1HA       GLY  11   6.492   1.101  -2.509
   86   2HA   GLY  11          2HA       GLY  11   7.260   1.752  -1.074
   87    H    CYS  12           H        CYS  12   8.500   1.837  -4.469
   88    HA   CYS  12           HA       CYS  12   8.664   4.732  -4.162
   89   1HB   CYS  12          1HB       CYS  12  10.479   2.781  -5.103
   90   2HB   CYS  12          2HB       CYS  12  10.006   3.724  -6.502
   91    H    LYS  13           H        LYS  13   8.654   5.672  -6.717
   92    HA   LYS  13           HA       LYS  13   6.025   5.523  -7.576
   93   1HB   LYS  13          1HB       LYS  13   6.752   6.797  -9.467
   94   2HB   LYS  13          2HB       LYS  13   7.648   7.346  -8.065
   95   1HG   LYS  13          1HG       LYS  13   9.523   5.730  -8.768
   96   2HG   LYS  13          2HG       LYS  13   8.644   5.479 -10.264
   97   1HD   LYS  13          1HD       LYS  13   9.312   8.293  -9.334
   98   2HD   LYS  13          2HD       LYS  13  10.515   7.331 -10.171
   99   1HE   LYS  13          1HE       LYS  13   7.713   7.798 -11.290
  100   2HE   LYS  13          2HE       LYS  13   9.063   8.857 -11.650
  101   1HZ   LYS  13          1HZ       LYS  13  10.229   6.740 -12.345
  102   2HZ   LYS  13          2HZ       LYS  13   8.755   6.038 -12.351
  103   3HZ   LYS  13          3HZ       LYS  13   9.061   7.304 -13.335
  104    H    TYR  14           H        TYR  14   5.058   4.517  -9.467
  105    HA   TYR  14           HA       TYR  14   6.654   2.304 -10.564
  106   1HB   TYR  14          1HB       TYR  14   3.856   1.788 -10.846
  107   2HB   TYR  14          2HB       TYR  14   4.936   0.983  -9.724
  108    HD1  TYR  14           HD1      TYR  14   5.212   1.932  -7.383
  109    HD2  TYR  14           HD2      TYR  14   2.176   3.286 -10.076
  110    HE1  TYR  14           HE1      TYR  14   3.916   2.925  -5.435
  111    HE2  TYR  14           HE2      TYR  14   0.890   4.275  -8.118
  112    HH   TYR  14           HH       TYR  14   0.892   3.576  -5.428
  113    H    GLU  15           H        GLU  15   3.756   4.468 -11.163
  114    HA   GLU  15           HA       GLU  15   3.582   6.016 -12.676
  115   1HB   GLU  15          1HB       GLU  15   6.139   6.215 -12.169
  116   2HB   GLU  15          2HB       GLU  15   6.372   5.444 -13.726
  117   1HG   GLU  15          1HG       GLU  15   5.066   7.232 -14.844
  118   2HG   GLU  15          2HG       GLU  15   4.723   7.981 -13.296
  119    H    CYS  16           H        CYS  16   1.951   4.849 -13.830
  120    HA   CYS  16           HA       CYS  16   2.689   2.828 -15.673
  121   1HB   CYS  16          1HB       CYS  16   0.235   3.030 -16.337
  122   2HB   CYS  16          2HB       CYS  16   0.612   2.494 -14.712
  123    H    LEU  17           H        LEU  17   2.393   6.327 -15.695
  124    HA   LEU  17           HA       LEU  17   2.426   7.871 -17.270
  125   1HB   LEU  17          1HB       LEU  17   3.562   5.707 -19.045
  126   2HB   LEU  17          2HB       LEU  17   3.609   7.430 -19.358
  127    HG   LEU  17           HG       LEU  17   4.880   6.218 -16.900
  128   1HD1  LEU  17          1HD1      LEU  17   6.158   6.641 -19.615
  129   2HD1  LEU  17          2HD1      LEU  17   7.025   6.236 -18.113
  130   3HD1  LEU  17          3HD1      LEU  17   5.859   5.083 -18.807
  131   1HD2  LEU  17          1HD2      LEU  17   5.293   8.841 -18.360
  132   2HD2  LEU  17          2HD2      LEU  17   4.514   8.605 -16.778
  133   3HD2  LEU  17          3HD2      LEU  17   6.252   8.274 -16.972
  134    H    LYS  18           H        LYS  18   1.276   8.671 -19.226
  135    HA   LYS  18           HA       LYS  18  -0.449   8.770 -20.603
  136   1HB   LYS  18          1HB       LYS  18   0.992   6.986 -21.688
  137   2HB   LYS  18          2HB       LYS  18  -0.088   5.790 -21.001
  138   1HG   LYS  18          1HG       LYS  18  -2.018   6.805 -22.179
  139   2HG   LYS  18          2HG       LYS  18  -0.997   8.088 -22.799
  140   1HD   LYS  18          1HD       LYS  18   0.335   6.475 -24.099
  141   2HD   LYS  18          2HD       LYS  18  -0.525   5.127 -23.381
  142   1HE   LYS  18          1HE       LYS  18  -2.033   7.287 -24.899
  143   2HE   LYS  18          2HE       LYS  18  -1.260   5.971 -25.759
  144   1HZ   LYS  18          1HZ       LYS  18  -2.517   4.440 -24.354
  145   2HZ   LYS  18          2HZ       LYS  18  -3.287   5.697 -23.651
  146   3HZ   LYS  18          3HZ       LYS  18  -3.495   5.399 -25.243
  147    H    LEU  19           H        LEU  19  -1.752   9.322 -18.659
  148    HA   LEU  19           HA       LEU  19  -3.018   7.395 -17.121
  149   1HB   LEU  19          1HB       LEU  19  -4.385   9.187 -16.310
  150   2HB   LEU  19          2HB       LEU  19  -2.724   9.723 -16.473
  151    HG   LEU  19           HG       LEU  19  -3.838  10.461 -18.900
  152   1HD1  LEU  19          1HD1      LEU  19  -6.085   9.894 -18.100
  153   2HD1  LEU  19          2HD1      LEU  19  -5.880  11.006 -16.726
  154   3HD1  LEU  19          3HD1      LEU  19  -5.911  11.641 -18.388
  155   1HD2  LEU  19          1HD2      LEU  19  -2.265  11.762 -17.554
  156   2HD2  LEU  19          2HD2      LEU  19  -3.665  12.746 -18.046
  157   3HD2  LEU  19          3HD2      LEU  19  -3.554  12.125 -16.381
  158    H    GLY  20           H        GLY  20  -5.112   6.463 -17.161
  159   1HA   GLY  20          1HA       GLY  20  -7.231   6.225 -18.276
  160   2HA   GLY  20          2HA       GLY  20  -6.448   6.621 -19.793
  161    H    ASP  21           H        ASP  21  -4.038   5.045 -19.522
  162    HA   ASP  21           HA       ASP  21  -5.204   2.779 -20.685
  163   1HB   ASP  21          1HB       ASP  21  -2.326   3.494 -19.971
  164   2HB   ASP  21          2HB       ASP  21  -2.744   2.026 -20.832
  165    H    ASN  22           H        ASN  22  -6.337   1.583 -19.020
  166    HA   ASN  22           HA       ASN  22  -4.905   1.049 -16.590
  167   1HB   ASN  22          1HB       ASN  22  -7.133  -0.111 -15.981
  168   2HB   ASN  22          2HB       ASN  22  -7.228   1.614 -16.274
  169   1HD2  ASN  22          1HD2      ASN  22  -9.098   1.452 -19.249
  170   2HD2  ASN  22          2HD2      ASN  22  -8.082   2.400 -18.216
  171    H    ASP  23           H        ASP  23  -3.394  -0.241 -18.333
  172    HA   ASP  23           HA       ASP  23  -4.467  -2.926 -18.600
  173   1HB   ASP  23          1HB       ASP  23  -3.588  -2.161 -20.686
  174   2HB   ASP  23          2HB       ASP  23  -2.202  -1.405 -19.927
  175    H    TYR  24           H        TYR  24  -1.251  -1.299 -17.969
  176    HA   TYR  24           HA       TYR  24  -0.166  -3.637 -16.819
  177   1HB   TYR  24          1HB       TYR  24   0.571  -0.644 -16.745
  178   2HB   TYR  24          2HB       TYR  24   1.674  -1.921 -16.269
  179    HD1  TYR  24           HD1      TYR  24   2.156  -3.759 -18.102
  180    HD2  TYR  24           HD2      TYR  24   0.601   0.138 -18.944
  181    HE1  TYR  24           HE1      TYR  24   2.958  -3.950 -20.507
  182    HE2  TYR  24           HE2      TYR  24   1.408  -0.067 -21.346
  183    HH   TYR  24           HH       TYR  24   3.149  -2.976 -22.420
  184    H    CYS  25           H        CYS  25  -1.900  -0.813 -15.525
  185    HA   CYS  25           HA       CYS  25  -1.182  -1.202 -12.844
  186   1HB   CYS  25          1HB       CYS  25  -3.609   0.071 -14.117
  187   2HB   CYS  25          2HB       CYS  25  -3.312   0.068 -12.390
  188    H    LEU  26           H        LEU  26  -3.795  -2.465 -14.995
  189    HA   LEU  26           HA       LEU  26  -5.159  -3.865 -12.971
  190   1HB   LEU  26          1HB       LEU  26  -5.534  -3.251 -15.648
  191   2HB   LEU  26          2HB       LEU  26  -5.351  -4.994 -15.653
  192    HG   LEU  26           HG       LEU  26  -7.324  -3.491 -13.913
  193   1HD1  LEU  26          1HD1      LEU  26  -7.770  -4.917 -16.550
  194   2HD1  LEU  26          2HD1      LEU  26  -9.049  -4.292 -15.481
  195   3HD1  LEU  26          3HD1      LEU  26  -7.900  -3.168 -16.246
  196   1HD2  LEU  26          1HD2      LEU  26  -6.969  -6.445 -14.481
  197   2HD2  LEU  26          2HD2      LEU  26  -6.726  -5.607 -12.931
  198   3HD2  LEU  26          3HD2      LEU  26  -8.358  -5.731 -13.628
  199    H    ARG  27           H        ARG  27  -2.486  -4.715 -15.229
  200    HA   ARG  27           HA       ARG  27  -2.497  -7.409 -14.723
  201   1HB   ARG  27          1HB       ARG  27  -0.293  -5.463 -15.525
  202   2HB   ARG  27          2HB       ARG  27   0.041  -7.175 -15.352
  203   1HG   ARG  27          1HG       ARG  27  -1.785  -7.685 -17.002
  204   2HG   ARG  27          2HG       ARG  27  -2.080  -5.967 -17.191
  205   1HD   ARG  27          1HD       ARG  27   0.542  -5.892 -17.729
  206   2HD   ARG  27          2HD       ARG  27   0.309  -7.591 -18.092
  207    HE   ARG  27           HE       ARG  27  -1.749  -6.020 -19.370
  208   1HH1  ARG  27          2HH1      ARG  27   1.686  -6.742 -19.617
  209   2HH1  ARG  27          1HH1      ARG  27   1.729  -6.570 -21.339
  210   1HH2  ARG  27          1HH2      ARG  27  -1.665  -5.677 -21.629
  211   2HH2  ARG  27          2HH2      ARG  27  -0.208  -6.023 -22.499
  212    H    GLU  28           H        GLU  28  -0.664  -4.712 -13.129
  213    HA   GLU  28           HA       GLU  28   0.695  -6.305 -11.327
  214   1HB   GLU  28          1HB       GLU  28   1.078  -3.835 -11.897
  215   2HB   GLU  28          2HB       GLU  28  -0.256  -3.454 -10.826
  216   1HG   GLU  28          1HG       GLU  28   1.969  -3.292  -9.682
  217   2HG   GLU  28          2HG       GLU  28   0.902  -4.450  -8.912
  218    H    CYS  29           H        CYS  29  -2.416  -4.460 -10.956
  219    HA   CYS  29           HA       CYS  29  -2.886  -5.080  -8.337
  220   1HB   CYS  29          1HB       CYS  29  -4.170  -3.623 -10.182
  221   2HB   CYS  29          2HB       CYS  29  -5.221  -5.025 -10.181
  222    H    LYS  30           H        LYS  30  -3.377  -6.979 -11.335
  223    HA   LYS  30           HA       LYS  30  -5.026  -8.955 -10.250
  224   1HB   LYS  30          1HB       LYS  30  -4.515  -8.411 -12.700
  225   2HB   LYS  30          2HB       LYS  30  -3.048  -9.349 -12.503
  226   1HG   LYS  30          1HG       LYS  30  -5.635 -10.589 -11.573
  227   2HG   LYS  30          2HG       LYS  30  -5.364 -10.476 -13.301
  228   1HD   LYS  30          1HD       LYS  30  -3.282 -11.653 -11.412
  229   2HD   LYS  30          2HD       LYS  30  -4.547 -12.633 -12.128
  230   1HE   LYS  30          1HE       LYS  30  -3.772 -11.808 -14.422
  231   2HE   LYS  30          2HE       LYS  30  -2.415 -11.039 -13.625
  232   1HZ   LYS  30          1HZ       LYS  30  -2.241 -13.463 -12.624
  233   2HZ   LYS  30          2HZ       LYS  30  -2.917 -13.837 -14.062
  234   3HZ   LYS  30          3HZ       LYS  30  -1.500 -13.027 -14.011
  235    H    GLN  31           H        GLN  31  -1.424  -8.933 -10.784
  236    HA   GLN  31           HA       GLN  31  -1.360 -11.449  -9.377
  237   1HB   GLN  31          1HB       GLN  31   0.076 -10.312 -11.565
  238   2HB   GLN  31          2HB       GLN  31   1.245 -10.530 -10.278
  239   1HG   GLN  31          1HG       GLN  31   0.908 -12.869 -10.176
  240   2HG   GLN  31          2HG       GLN  31  -0.687 -12.777 -10.896
  241   1HE2  GLN  31          1HE2      GLN  31   2.740 -12.683 -13.216
  242   2HE2  GLN  31          2HE2      GLN  31   2.757 -12.281 -11.531
  243    H    GLN  32           H        GLN  32  -1.912  -9.004  -7.752
  244    HA   GLN  32           HA       GLN  32  -0.391 -10.452  -5.844
  245   1HB   GLN  32          1HB       GLN  32   0.429  -8.467  -4.586
  246   2HB   GLN  32          2HB       GLN  32   1.162  -8.585  -6.173
  247   1HG   GLN  32          1HG       GLN  32  -0.523  -6.939  -7.056
  248   2HG   GLN  32          2HG       GLN  32  -1.209  -6.799  -5.448
  249   1HE2  GLN  32          1HE2      GLN  32   2.359  -5.020  -6.476
  250   2HE2  GLN  32          2HE2      GLN  32   1.615  -6.243  -7.450
  251    H    TYR  33           H        TYR  33  -2.769  -7.875  -6.634
  252    HA   TYR  33           HA       TYR  33  -4.056  -8.314  -4.041
  253   1HB   TYR  33          1HB       TYR  33  -3.739  -6.162  -6.131
  254   2HB   TYR  33          2HB       TYR  33  -5.325  -6.219  -5.389
  255    HD1  TYR  33           HD1      TYR  33  -5.005  -6.679  -2.625
  256    HD2  TYR  33           HD2      TYR  33  -2.389  -4.515  -5.229
  257    HE1  TYR  33           HE1      TYR  33  -4.121  -5.350  -0.646
  258    HE2  TYR  33           HE2      TYR  33  -1.513  -3.194  -3.241
  259    HH   TYR  33           HH       TYR  33  -1.926  -2.649  -1.124
  260    H    GLY  34           H        GLY  34  -4.202  -9.564  -7.141
  261   1HA   GLY  34          1HA       GLY  34  -6.921  -9.046  -7.828
  262   2HA   GLY  34          2HA       GLY  34  -5.811 -10.152  -8.612
  263    H    LYS  35           H        LYS  35  -7.751  -9.830  -5.526
  264    HA   LYS  35           HA       LYS  35  -8.627 -12.571  -6.098
  265   1HB   LYS  35          1HB       LYS  35  -8.852 -10.879  -3.594
  266   2HB   LYS  35          2HB       LYS  35  -9.676 -12.410  -3.809
  267   1HG   LYS  35          1HG       LYS  35  -7.753 -13.255  -2.866
  268   2HG   LYS  35          2HG       LYS  35  -7.174 -13.195  -4.519
  269   1HD   LYS  35          1HD       LYS  35  -6.266 -10.873  -4.067
  270   2HD   LYS  35          2HD       LYS  35  -6.758 -11.040  -2.393
  271   1HE   LYS  35          1HE       LYS  35  -5.262 -12.974  -2.091
  272   2HE   LYS  35          2HE       LYS  35  -4.862 -12.982  -3.796
  273   1HZ   LYS  35          1HZ       LYS  35  -4.380 -10.615  -2.147
  274   2HZ   LYS  35          2HZ       LYS  35  -3.288 -11.826  -2.232
  275   3HZ   LYS  35          3HZ       LYS  35  -3.702 -11.006  -3.581
  276    H    GLY  36           H        GLY  36  -9.430 -10.939  -8.057
  277   1HA   GLY  36          1HA       GLY  36 -11.425 -10.374  -9.061
  278   2HA   GLY  36          2HA       GLY  36 -12.243 -10.415  -7.513
  279    H    ALA  37           H        ALA  37  -9.213  -8.736  -7.384
  280    HA   ALA  37           HA       ALA  37 -10.607  -6.273  -6.901
  281   1HB   ALA  37          1HB       ALA  37  -8.680  -7.091  -5.535
  282   2HB   ALA  37          2HB       ALA  37  -7.627  -6.899  -6.957
  283   3HB   ALA  37          3HB       ALA  37  -8.403  -5.474  -6.226
  284    H    GLY  38           H        GLY  38  -9.310  -4.212  -7.888
  285   1HA   GLY  38          1HA       GLY  38  -8.682  -4.602 -10.699
  286   2HA   GLY  38          2HA       GLY  38 -10.195  -3.780 -10.371
  287    H    GLY  39           H        GLY  39  -8.416  -2.281 -11.732
  288   1HA   GLY  39          1HA       GLY  39  -7.731  -0.091 -10.139
  289   2HA   GLY  39          2HA       GLY  39  -6.318  -1.121 -10.249
  290    H    TYR  40           H        TYR  40  -6.312   1.476 -11.362
  291    HA   TYR  40           HA       TYR  40  -6.142   0.920 -14.203
  292   1HB   TYR  40          1HB       TYR  40  -7.613   3.052 -14.515
  293   2HB   TYR  40          2HB       TYR  40  -8.476   1.625 -13.975
  294    HD1  TYR  40           HD1      TYR  40  -7.047   4.863 -12.867
  295    HD2  TYR  40           HD2      TYR  40  -9.556   1.555 -11.837
  296    HE1  TYR  40           HE1      TYR  40  -7.920   6.144 -10.851
  297    HE2  TYR  40           HE2      TYR  40 -10.421   2.847  -9.825
  298    HH   TYR  40           HH       TYR  40  -9.129   6.062  -9.056
  299    H    CYS  41           H        CYS  41  -5.633   3.298 -15.287
  300    HA   CYS  41           HA       CYS  41  -3.269   4.069 -13.761
  301   1HB   CYS  41          1HB       CYS  41  -2.877   3.091 -15.969
  302   2HB   CYS  41          2HB       CYS  41  -3.873   4.324 -16.715
  303    H    TYR  42           H        TYR  42  -3.786   5.856 -12.495
  304    HA   TYR  42           HA       TYR  42  -5.445   7.956 -13.555
  305   1HB   TYR  42          1HB       TYR  42  -4.338   6.977 -11.057
  306   2HB   TYR  42          2HB       TYR  42  -3.723   8.605 -11.261
  307    HD1  TYR  42           HD1      TYR  42  -6.141   9.786 -12.708
  308    HD2  TYR  42           HD2      TYR  42  -5.818   7.312  -9.233
  309    HE1  TYR  42           HE1      TYR  42  -8.337  10.720 -11.831
  310    HE2  TYR  42           HE2      TYR  42  -8.016   8.254  -8.367
  311    HH   TYR  42           HH       TYR  42  -9.797  10.690 -10.249
  312    H    ALA  43           H        ALA  43  -4.047  10.236 -12.575
  313    HA   ALA  43           HA       ALA  43  -2.386  10.936 -14.657
  314   1HB   ALA  43          1HB       ALA  43  -2.466  11.923 -11.777
  315   2HB   ALA  43          2HB       ALA  43  -1.668  12.769 -13.125
  316   3HB   ALA  43          3HB       ALA  43  -3.433  12.539 -13.138
  317    H    PHE  44           H        PHE  44  -1.020   9.041 -15.047
  318    HA   PHE  44           HA       PHE  44   0.974   8.101 -15.032
  319   1HB   PHE  44          1HB       PHE  44   1.903  10.414 -13.257
  320   2HB   PHE  44          2HB       PHE  44   2.810   9.622 -14.530
  321    HD1  PHE  44           HD1      PHE  44   1.127   9.701 -16.845
  322    HD2  PHE  44           HD2      PHE  44   1.576  12.626 -13.803
  323    HE1  PHE  44           HE1      PHE  44   0.425  11.490 -18.460
  324    HE2  PHE  44           HE2      PHE  44   0.875  14.414 -15.419
  325    HZ   PHE  44           HZ       PHE  44   0.307  13.825 -17.728
  326    H    ALA  45           H        ALA  45  -0.836   7.321 -12.889
  327    HA   ALA  45           HA       ALA  45   1.080   5.871 -11.387
  328   1HB   ALA  45          1HB       ALA  45  -0.469   8.105 -10.037
  329   2HB   ALA  45          2HB       ALA  45   0.190   6.717  -9.140
  330   3HB   ALA  45          3HB       ALA  45   1.286   7.812 -10.015
  331    H    CYS  46           H        CYS  46   0.048   4.127 -10.174
  332    HA   CYS  46           HA       CYS  46  -2.443   3.454 -11.459
  333   1HB   CYS  46          1HB       CYS  46  -0.554   1.866  -9.713
  334   2HB   CYS  46          2HB       CYS  46  -2.057   1.231 -10.350
  335    H    TRP  47           H        TRP  47  -4.435   3.159 -10.333
  336    HA   TRP  47           HA       TRP  47  -4.263   3.321  -7.404
  337   1HB   TRP  47          1HB       TRP  47  -5.210   5.386  -8.002
  338   2HB   TRP  47          2HB       TRP  47  -6.212   4.677  -9.252
  339    HD1  TRP  47           HD1      TRP  47  -8.080   2.709  -8.016
  340    HE1  TRP  47           HE1      TRP  47  -9.705   3.100  -5.975
  341    HE3  TRP  47           HE3      TRP  47  -5.549   6.674  -6.085
  342    HZ2  TRP  47           HZ2      TRP  47  -9.749   4.982  -3.829
  343    HZ3  TRP  47           HZ3      TRP  47  -6.451   7.731  -4.015
  344    HH2  TRP  47           HH2      TRP  47  -8.475   6.946  -2.892
  345    H    CYS  48           H        CYS  48  -5.053   1.485  -6.445
  346    HA   CYS  48           HA       CYS  48  -6.646  -0.279  -8.149
  347   1HB   CYS  48          1HB       CYS  48  -4.724  -0.763  -5.909
  348   2HB   CYS  48          2HB       CYS  48  -6.029  -1.905  -6.161
  349    H    THR  49           H        THR  49  -8.719  -1.090  -7.268
  350    HA   THR  49           HA       THR  49  -9.748   0.907  -5.374
  351    HB   THR  49           HB       THR  49  -9.918   1.982  -7.536
  352    HG1  THR  49           HG1      THR  49 -11.907   1.884  -6.238
  353   1HG2  THR  49          1HG2      THR  49 -10.949  -0.740  -8.471
  354   2HG2  THR  49          2HG2      THR  49 -11.234   0.759  -9.388
  355   3HG2  THR  49          3HG2      THR  49  -9.572   0.178  -9.126
  356    H    HIS  50           H        HIS  50  -9.274  -1.990  -5.096
  357    HA   HIS  50           HA       HIS  50 -11.738  -2.650  -3.986
  358   1HB   HIS  50          1HB       HIS  50 -12.439  -2.904  -6.335
  359   2HB   HIS  50          2HB       HIS  50 -11.151  -4.062  -6.603
  360    HD1  HIS  50           HD1      HIS  50 -12.729  -4.488  -3.298
  361    HD2  HIS  50           HD2      HIS  50 -13.393  -5.854  -7.208
  362    HE1  HIS  50           HE1      HIS  50 -14.301  -6.489  -3.099
  363    H    LEU  51           H        LEU  51  -8.936  -2.520  -3.260
  364    HA   LEU  51           HA       LEU  51  -8.290  -5.274  -2.723
  365   1HB   LEU  51          1HB       LEU  51  -7.176  -2.856  -1.326
  366   2HB   LEU  51          2HB       LEU  51  -6.448  -4.438  -1.525
  367    HG   LEU  51           HG       LEU  51  -5.244  -3.344  -3.092
  368   1HD1  LEU  51          1HD1      LEU  51  -6.877  -5.027  -4.220
  369   2HD1  LEU  51          2HD1      LEU  51  -7.606  -3.568  -4.933
  370   3HD1  LEU  51          3HD1      LEU  51  -5.891  -3.942  -5.228
  371   1HD2  LEU  51          1HD2      LEU  51  -6.647  -1.205  -2.483
  372   2HD2  LEU  51          2HD2      LEU  51  -5.652  -1.259  -3.959
  373   3HD2  LEU  51          3HD2      LEU  51  -7.411  -1.519  -4.060
  374    H    TYR  52           H        TYR  52  -7.822  -5.592  -0.119
  375    HA   TYR  52           HA       TYR  52 -10.567  -5.384   0.904
  376   1HB   TYR  52          1HB       TYR  52  -9.141  -7.376   2.293
  377   2HB   TYR  52          2HB       TYR  52 -10.178  -7.686   0.916
  378    HD1  TYR  52           HD1      TYR  52  -9.105  -7.618  -1.433
  379    HD2  TYR  52           HD2      TYR  52  -6.831  -7.832   2.184
  380    HE1  TYR  52           HE1      TYR  52  -7.103  -8.489  -2.735
  381    HE2  TYR  52           HE2      TYR  52  -4.837  -8.702   0.870
  382    HH   TYR  52           HH       TYR  52  -3.992  -8.645  -1.365
  383    H    GLU  53           H        GLU  53 -10.130  -6.189   3.541
  384    HA   GLU  53           HA       GLU  53  -9.515  -3.972   4.888
  385   1HB   GLU  53          1HB       GLU  53  -9.151  -5.399   6.856
  386   2HB   GLU  53          2HB       GLU  53 -10.471  -6.028   5.890
  387   1HG   GLU  53          1HG       GLU  53  -8.780  -7.595   4.770
  388   2HG   GLU  53          2HG       GLU  53  -7.600  -7.060   5.950
  389    H    GLN  54           H        GLN  54  -7.255  -6.235   3.362
  390    HA   GLN  54           HA       GLN  54  -5.049  -4.917   4.709
  391   1HB   GLN  54          1HB       GLN  54  -5.549  -7.613   3.942
  392   2HB   GLN  54          2HB       GLN  54  -4.250  -7.058   2.906
  393   1HG   GLN  54          1HG       GLN  54  -2.968  -6.286   4.900
  394   2HG   GLN  54          2HG       GLN  54  -4.277  -6.789   5.950
  395   1HE2  GLN  54          1HE2      GLN  54  -3.687 -10.268   5.736
  396   2HE2  GLN  54          2HE2      GLN  54  -4.876  -9.037   6.001
  397    H    ALA  55           H        ALA  55  -6.631  -3.501   2.659
  398    HA   ALA  55           HA       ALA  55  -4.984  -3.187   0.395
  399   1HB   ALA  55          1HB       ALA  55  -7.326  -2.317   0.706
  400   2HB   ALA  55          2HB       ALA  55  -6.675  -1.109   1.839
  401   3HB   ALA  55          3HB       ALA  55  -6.172  -1.090   0.132
  402    H    ILE  56           H        ILE  56  -2.760  -3.143   0.875
  403    HA   ILE  56           HA       ILE  56  -1.846  -0.936   2.518
  404    HB   ILE  56           HB       ILE  56  -0.259  -2.827   0.783
  405   1HG1  ILE  56          1HG1      ILE  56  -1.502  -4.182   2.323
  406   2HG1  ILE  56          2HG1      ILE  56   0.160  -4.095   2.875
  407   1HG2  ILE  56          1HG2      ILE  56   0.481  -0.895   2.986
  408   2HG2  ILE  56          2HG2      ILE  56   1.553  -2.207   2.439
  409   3HG2  ILE  56          3HG2      ILE  56   1.057  -0.930   1.302
  410   1HD1  ILE  56          1HD1      ILE  56  -0.550  -2.175   4.415
  411   2HD1  ILE  56          2HD1      ILE  56  -2.232  -2.563   3.977
  412   3HD1  ILE  56          3HD1      ILE  56  -1.231  -3.770   4.818
  413    H    VAL  57           H        VAL  57  -1.704   1.103   1.761
  414    HA   VAL  57           HA       VAL  57  -1.598   1.399  -1.162
  415    HB   VAL  57           HB       VAL  57  -3.596   2.336  -0.918
  416   1HG1  VAL  57          1HG1      VAL  57  -3.056   2.651   2.055
  417   2HG1  VAL  57          2HG1      VAL  57  -4.613   2.955   1.247
  418   3HG1  VAL  57          3HG1      VAL  57  -3.930   1.311   1.273
  419   1HG2  VAL  57          1HG2      VAL  57  -2.211   4.337  -1.225
  420   2HG2  VAL  57          2HG2      VAL  57  -3.642   4.696  -0.229
  421   3HG2  VAL  57          3HG2      VAL  57  -2.048   4.506   0.540
  422    H    TRP  58           H        TRP  58  -0.361   3.243  -1.969
  423    HA   TRP  58           HA       TRP  58   2.144   3.071  -0.777
  424   1HB   TRP  58          1HB       TRP  58   1.939   3.376  -3.127
  425   2HB   TRP  58          2HB       TRP  58   1.032   4.863  -2.933
  426    HD1  TRP  58           HD1      TRP  58   4.603   3.587  -3.103
  427    HE1  TRP  58           HE1      TRP  58   6.364   5.549  -3.010
  428    HE3  TRP  58           HE3      TRP  58   1.278   7.215  -1.824
  429    HZ2  TRP  58           HZ2      TRP  58   6.174   8.335  -2.424
  430    HZ3  TRP  58           HZ3      TRP  58   2.148   9.530  -1.510
  431    HH2  TRP  58           HH2      TRP  58   4.505  10.115  -1.790
  432    HA   PRO  59           HA       PRO  59   3.790   3.946  -0.561
  433   1HB   PRO  59          1HB       PRO  59   5.680   4.589   1.306
  434   2HB   PRO  59          2HB       PRO  59   5.530   5.419  -0.230
  435   1HG   PRO  59          1HG       PRO  59   4.733   6.344   2.462
  436   2HG   PRO  59          2HG       PRO  59   4.986   7.288   1.008
  437   1HD   PRO  59          1HD       PRO  59   2.464   6.537   2.149
  438   2HD   PRO  59          2HD       PRO  59   2.720   7.381   0.635
  439    H    LEU  60           H        LEU  60   5.433   2.396   0.937
  440    HA   LEU  60           HA       LEU  60   3.825   1.179   2.957
  441   1HB   LEU  60          1HB       LEU  60   6.768   1.047   2.297
  442   2HB   LEU  60          2HB       LEU  60   6.017   0.126   3.586
  443    HG   LEU  60           HG       LEU  60   5.885  -1.473   2.009
  444   1HD1  LEU  60          1HD1      LEU  60   3.539  -0.858   2.463
  445   2HD1  LEU  60          2HD1      LEU  60   3.556   0.200   1.031
  446   3HD1  LEU  60          3HD1      LEU  60   3.765  -1.558   0.842
  447   1HD2  LEU  60          1HD2      LEU  60   7.235  -0.108   0.422
  448   2HD2  LEU  60          2HD2      LEU  60   6.040  -1.165  -0.368
  449   3HD2  LEU  60          3HD2      LEU  60   5.721   0.580  -0.213
  450    HA   PRO  61           HA       PRO  61   3.880   4.020   5.826
  451   1HB   PRO  61          1HB       PRO  61   3.613   2.685   8.196
  452   2HB   PRO  61          2HB       PRO  61   2.321   2.818   7.020
  453   1HG   PRO  61          1HG       PRO  61   4.032   0.487   7.637
  454   2HG   PRO  61          2HG       PRO  61   2.494   0.529   6.799
  455   1HD   PRO  61          1HD       PRO  61   5.088   0.237   5.611
  456   2HD   PRO  61          2HD       PRO  61   3.560   0.394   4.767
  457    H    ASN  62           H        ASN  62   6.094   1.682   7.303
  458    HA   ASN  62           HA       ASN  62   7.469   4.019   8.367
  459   1HB   ASN  62          1HB       ASN  62   8.311   2.457  10.143
  460   2HB   ASN  62          2HB       ASN  62   6.559   2.511  10.109
  461   1HD2  ASN  62          1HD2      ASN  62   8.238  -1.001  10.075
  462   2HD2  ASN  62          2HD2      ASN  62   8.769   0.480  10.801
  463    H    LYS  63           H        LYS  63   7.719   2.426   5.667
  464    HA   LYS  63           HA       LYS  63  10.545   2.904   5.683
  465   1HB   LYS  63          1HB       LYS  63  11.093   0.725   4.574
  466   2HB   LYS  63          2HB       LYS  63  10.698   0.606   6.277
  467   1HG   LYS  63          1HG       LYS  63   8.293   0.374   4.599
  468   2HG   LYS  63          2HG       LYS  63   9.491  -0.829   4.168
  469   1HD   LYS  63          1HD       LYS  63   9.627  -1.609   6.501
  470   2HD   LYS  63          2HD       LYS  63   8.570  -0.316   7.034
  471   1HE   LYS  63          1HE       LYS  63   6.847  -1.315   5.308
  472   2HE   LYS  63          2HE       LYS  63   7.868  -2.740   5.341
  473   1HZ   LYS  63          1HZ       LYS  63   7.592  -2.800   7.734
  474   2HZ   LYS  63          2HZ       LYS  63   6.621  -1.487   7.690
  475   3HZ   LYS  63          3HZ       LYS  63   6.145  -2.879   6.980
  476    H    ARG  64           H        ARG  64   8.831   4.603   4.626
  477    HA   ARG  64           HA       ARG  64   8.038   4.036   2.034
  478   1HB   ARG  64          1HB       ARG  64   8.056   6.583   1.787
  479   2HB   ARG  64          2HB       ARG  64   7.132   5.982   3.150
  480   1HG   ARG  64          1HG       ARG  64   8.563   6.897   4.698
  481   2HG   ARG  64          2HG       ARG  64   9.994   6.480   3.777
  482   1HD   ARG  64          1HD       ARG  64   8.218   8.625   2.634
  483   2HD   ARG  64          2HD       ARG  64   9.146   9.040   4.061
  484    HE   ARG  64           HE       ARG  64  10.249   8.298   1.402
  485   1HH1  ARG  64          2HH1      ARG  64  11.074   8.558   4.787
  486   2HH1  ARG  64          1HH1      ARG  64  12.571   9.383   4.510
  487   1HH2  ARG  64          1HH2      ARG  64  12.276   9.334   0.998
  488   2HH2  ARG  64          2HH2      ARG  64  13.307   9.731   2.332
  489    H    CYS  65           H        CYS  65   9.014   5.167   0.011
  490    HA   CYS  65           HA       CYS  65  11.577   4.067  -0.257
  491   1HB   CYS  65          1HB       CYS  65   9.785   4.277  -2.028
  492   2HB   CYS  65          2HB       CYS  65  10.217   5.969  -2.170
  493    H    SER  66           H        SER  66  13.622   5.155  -0.592
  494    HA   SER  66           HA       SER  66  14.040   7.377   0.975
  495   1HB   SER  66          1HB       SER  66  16.294   7.422  -0.036
  496   2HB   SER  66          2HB       SER  66  15.817   5.782   0.353
  497    HG   SER  66           HG       SER  66  16.754   5.887  -1.764
  498   1HN   NH2  67          1H        SER  66  14.417   7.186  -2.584
  499   2HN   NH2  67          2H        SER  66  13.829   8.775  -2.944
   
  No H/Q in entry =         499
  Start of MODEL    7
    1   1H    LYS   1          1H        LYS   1 -11.569   1.267   0.507
    2   2H    LYS   1          2H        LYS   1 -11.927   1.355   2.121
    3   3H    LYS   1          3H        LYS   1 -11.096   2.586   1.388
    4    HA   LYS   1           HA       LYS   1  -9.424   1.583   2.389
    5   1HB   LYS   1          1HB       LYS   1  -9.306  -0.931   2.599
    6   2HB   LYS   1          2HB       LYS   1 -10.587  -0.146   3.501
    7   1HG   LYS   1          1HG       LYS   1 -12.000  -0.604   1.270
    8   2HG   LYS   1          2HG       LYS   1 -10.786  -1.841   1.008
    9   1HD   LYS   1          1HD       LYS   1 -11.299  -2.892   3.166
   10   2HD   LYS   1          2HD       LYS   1 -12.371  -1.577   3.603
   11   1HE   LYS   1          1HE       LYS   1 -13.962  -2.175   1.861
   12   2HE   LYS   1          2HE       LYS   1 -12.836  -3.302   1.131
   13   1HZ   LYS   1          1HZ       LYS   1 -13.982  -3.577   3.824
   14   2HZ   LYS   1          2HZ       LYS   1 -14.454  -4.414   2.503
   15   3HZ   LYS   1          3HZ       LYS   1 -12.957  -4.635   3.118
   16    H    GLU   2           H        GLU   2  -9.336   2.730  -0.015
   17    HA   GLU   2           HA       GLU   2  -8.094   0.723  -1.731
   18   1HB   GLU   2          1HB       GLU   2  -9.100   3.345  -2.827
   19   2HB   GLU   2          2HB       GLU   2  -8.946   1.797  -3.632
   20   1HG   GLU   2          1HG       GLU   2 -11.034   2.569  -1.544
   21   2HG   GLU   2          2HG       GLU   2 -11.318   2.247  -3.243
   22    H    GLY   3           H        GLY   3  -6.513   2.097  -3.436
   23   1HA   GLY   3          1HA       GLY   3  -5.994   4.691  -3.220
   24   2HA   GLY   3          2HA       GLY   3  -4.970   4.065  -1.943
   25    H    TYR   4           H        TYR   4  -3.307   5.112  -3.523
   26    HA   TYR   4           HA       TYR   4  -2.536   3.643  -5.797
   27   1HB   TYR   4          1HB       TYR   4  -0.956   5.259  -3.700
   28   2HB   TYR   4          2HB       TYR   4  -0.372   4.894  -5.310
   29    HD1  TYR   4           HD1      TYR   4  -1.772   5.800  -7.309
   30    HD2  TYR   4           HD2      TYR   4  -2.160   7.235  -3.297
   31    HE1  TYR   4           HE1      TYR   4  -2.828   7.946  -8.171
   32    HE2  TYR   4           HE2      TYR   4  -3.215   9.376  -4.172
   33    HH   TYR   4           HH       TYR   4  -3.850  10.489  -5.903
   34    H    LEU   5           H        LEU   5  -2.399   1.398  -5.518
   35    HA   LEU   5           HA       LEU   5  -1.169  -0.020  -3.576
   36   1HB   LEU   5          1HB       LEU   5  -2.115  -1.200  -5.329
   37   2HB   LEU   5          2HB       LEU   5  -1.265  -0.282  -6.556
   38    HG   LEU   5           HG       LEU   5   0.202  -2.123  -4.666
   39   1HD1  LEU   5          1HD1      LEU   5  -1.134  -2.846  -7.285
   40   2HD1  LEU   5          2HD1      LEU   5   0.098  -3.842  -6.473
   41   3HD1  LEU   5          3HD1      LEU   5  -1.460  -3.525  -5.672
   42   1HD2  LEU   5          1HD2      LEU   5   0.934  -0.393  -6.874
   43   2HD2  LEU   5          2HD2      LEU   5   1.963  -1.249  -5.702
   44   3HD2  LEU   5          3HD2      LEU   5   1.420  -2.077  -7.181
   45    H    VAL   6           H        VAL   6   0.936  -0.517  -2.915
   46    HA   VAL   6           HA       VAL   6   2.927   1.389  -3.932
   47    HB   VAL   6           HB       VAL   6   2.173   1.799  -1.641
   48   1HG1  VAL   6          1HG1      VAL   6   3.165  -1.023  -1.118
   49   2HG1  VAL   6          2HG1      VAL   6   2.778   0.163   0.152
   50   3HG1  VAL   6          3HG1      VAL   6   1.502  -0.412  -0.946
   51   1HG2  VAL   6          1HG2      VAL   6   4.598   2.118  -2.465
   52   2HG2  VAL   6          2HG2      VAL   6   4.298   2.152  -0.712
   53   3HG2  VAL   6          3HG2      VAL   6   4.978   0.691  -1.469
   54    H    ASP   7           H        ASP   7   5.073   0.637  -4.309
   55    HA   ASP   7           HA       ASP   7   5.000  -1.929  -5.419
   56   1HB   ASP   7          1HB       ASP   7   6.446  -0.572  -6.610
   57   2HB   ASP   7          2HB       ASP   7   6.941   0.327  -5.190
   58    H    LYS   8           H        LYS   8   6.162  -3.877  -4.692
   59    HA   LYS   8           HA       LYS   8   6.070  -3.803  -1.783
   60   1HB   LYS   8          1HB       LYS   8   4.954  -5.481  -3.784
   61   2HB   LYS   8          2HB       LYS   8   6.104  -6.459  -2.892
   62   1HG   LYS   8          1HG       LYS   8   4.011  -4.704  -1.530
   63   2HG   LYS   8          2HG       LYS   8   3.729  -6.386  -1.929
   64   1HD   LYS   8          1HD       LYS   8   6.082  -5.452  -0.224
   65   2HD   LYS   8          2HD       LYS   8   4.545  -5.946   0.457
   66   1HE   LYS   8          1HE       LYS   8   5.197  -8.114   0.348
   67   2HE   LYS   8          2HE       LYS   8   5.301  -7.997  -1.396
   68   1HZ   LYS   8          1HZ       LYS   8   7.540  -7.108  -1.112
   69   2HZ   LYS   8          2HZ       LYS   8   7.435  -7.316   0.504
   70   3HZ   LYS   8          3HZ       LYS   8   7.400  -8.611  -0.489
   71    H    ASN   9           H        ASN   9   8.423  -3.438  -4.046
   72    HA   ASN   9           HA       ASN   9  10.321  -4.972  -2.486
   73   1HB   ASN   9          1HB       ASN   9  10.260  -3.771  -5.202
   74   2HB   ASN   9          2HB       ASN   9  11.768  -3.463  -4.363
   75   1HD2  ASN   9          1HD2      ASN   9  12.890  -6.806  -4.244
   76   2HD2  ASN   9          2HD2      ASN   9  12.967  -5.243  -3.502
   77    H    THR  10           H        THR  10  10.178  -1.628  -3.964
   78    HA   THR  10           HA       THR  10  11.756  -0.703  -1.658
   79    HB   THR  10           HB       THR  10  12.217   1.147  -3.585
   80    HG1  THR  10           HG1      THR  10  10.734   0.063  -5.062
   81   1HG2  THR  10          1HG2      THR  10  13.417  -1.673  -3.663
   82   2HG2  THR  10          2HG2      THR  10  14.139  -0.215  -4.386
   83   3HG2  THR  10          3HG2      THR  10  13.991  -0.351  -2.617
   84    H    GLY  11           H        GLY  11   8.662  -0.554  -3.146
   85   1HA   GLY  11          1HA       GLY  11   6.885   0.795  -2.851
   86   2HA   GLY  11          2HA       GLY  11   7.687   1.489  -1.455
   87    H    CYS  12           H        CYS  12   8.969   1.429  -4.825
   88    HA   CYS  12           HA       CYS  12   9.080   4.344  -4.637
   89   1HB   CYS  12          1HB       CYS  12  11.040   2.409  -5.261
   90   2HB   CYS  12          2HB       CYS  12  10.689   3.243  -6.761
   91    H    LYS  13           H        LYS  13   6.903   4.742  -5.461
   92    HA   LYS  13           HA       LYS  13   5.919   5.748  -7.180
   93   1HB   LYS  13          1HB       LYS  13   8.387   5.743  -8.105
   94   2HB   LYS  13          2HB       LYS  13   7.765   4.538  -9.214
   95   1HG   LYS  13          1HG       LYS  13   6.014   6.073  -9.998
   96   2HG   LYS  13          2HG       LYS  13   6.439   7.253  -8.775
   97   1HD   LYS  13          1HD       LYS  13   8.736   7.448  -9.806
   98   2HD   LYS  13          2HD       LYS  13   8.242   6.331 -11.063
   99   1HE   LYS  13          1HE       LYS  13   6.459   7.885 -11.796
  100   2HE   LYS  13          2HE       LYS  13   6.834   8.981 -10.482
  101   1HZ   LYS  13          1HZ       LYS  13   8.697   8.232 -12.628
  102   2HZ   LYS  13          2HZ       LYS  13   7.881   9.644 -12.533
  103   3HZ   LYS  13          3HZ       LYS  13   9.017   9.280 -11.417
  104    H    TYR  14           H        TYR  14   4.158   5.218  -8.559
  105    HA   TYR  14           HA       TYR  14   4.034   2.540  -9.628
  106   1HB   TYR  14          1HB       TYR  14   3.146   2.423  -7.244
  107   2HB   TYR  14          2HB       TYR  14   2.044   3.738  -7.599
  108    HD1  TYR  14           HD1      TYR  14   2.893   0.635  -9.534
  109    HD2  TYR  14           HD2      TYR  14  -0.124   2.902  -7.517
  110    HE1  TYR  14           HE1      TYR  14   1.128  -1.037 -10.280
  111    HE2  TYR  14           HE2      TYR  14  -1.879   1.222  -8.269
  112    HH   TYR  14           HH       TYR  14  -0.962  -1.560 -10.287
  113    H    GLU  15           H        GLU  15   4.213   4.087 -11.543
  114    HA   GLU  15           HA       GLU  15   1.730   5.573 -11.895
  115   1HB   GLU  15          1HB       GLU  15   4.593   6.551 -12.199
  116   2HB   GLU  15          2HB       GLU  15   3.258   7.369 -12.988
  117   1HG   GLU  15          1HG       GLU  15   2.158   7.793 -10.838
  118   2HG   GLU  15          2HG       GLU  15   3.322   6.796  -9.990
  119    H    CYS  16           H        CYS  16   1.390   6.263 -14.255
  120    HA   CYS  16           HA       CYS  16   2.236   3.981 -15.880
  121   1HB   CYS  16          1HB       CYS  16  -0.215   5.706 -16.269
  122   2HB   CYS  16          2HB       CYS  16   0.189   4.228 -17.118
  123    H    LEU  17           H        LEU  17   2.174   4.613 -18.370
  124    HA   LEU  17           HA       LEU  17   3.843   6.916 -18.703
  125   1HB   LEU  17          1HB       LEU  17   2.652   5.012 -20.724
  126   2HB   LEU  17          2HB       LEU  17   3.872   6.226 -21.055
  127    HG   LEU  17           HG       LEU  17   4.242   3.894 -19.154
  128   1HD1  LEU  17          1HD1      LEU  17   3.961   3.096 -21.441
  129   2HD1  LEU  17          2HD1      LEU  17   5.213   4.227 -22.006
  130   3HD1  LEU  17          3HD1      LEU  17   5.645   2.900 -20.902
  131   1HD2  LEU  17          1HD2      LEU  17   6.127   6.032 -20.161
  132   2HD2  LEU  17          2HD2      LEU  17   5.682   5.652 -18.481
  133   3HD2  LEU  17          3HD2      LEU  17   6.678   4.513 -19.418
  134    H    LYS  18           H        LYS  18   0.545   5.913 -19.861
  135    HA   LYS  18           HA       LYS  18  -0.157   8.749 -19.636
  136   1HB   LYS  18          1HB       LYS  18  -1.040   6.882 -21.856
  137   2HB   LYS  18          2HB       LYS  18  -1.621   8.516 -21.606
  138   1HG   LYS  18          1HG       LYS  18   0.772   9.340 -21.811
  139   2HG   LYS  18          2HG       LYS  18   1.264   7.702 -22.199
  140   1HD   LYS  18          1HD       LYS  18  -0.450   7.760 -24.117
  141   2HD   LYS  18          2HD       LYS  18  -0.639   9.473 -23.796
  142   1HE   LYS  18          1HE       LYS  18   1.998   8.098 -24.502
  143   2HE   LYS  18          2HE       LYS  18   1.023   9.039 -25.614
  144   1HZ   LYS  18          1HZ       LYS  18   1.280  10.894 -23.985
  145   2HZ   LYS  18          2HZ       LYS  18   2.413  10.000 -23.220
  146   3HZ   LYS  18          3HZ       LYS  18   2.645  10.461 -24.769
  147    H    LEU  19           H        LEU  19  -2.669   8.960 -19.486
  148    HA   LEU  19           HA       LEU  19  -3.588   6.997 -17.578
  149   1HB   LEU  19          1HB       LEU  19  -5.382   8.496 -17.168
  150   2HB   LEU  19          2HB       LEU  19  -3.887   9.408 -17.212
  151    HG   LEU  19           HG       LEU  19  -4.828   9.565 -19.832
  152   1HD1  LEU  19          1HD1      LEU  19  -6.982   8.628 -19.139
  153   2HD1  LEU  19          2HD1      LEU  19  -7.156   9.916 -17.923
  154   3HD1  LEU  19          3HD1      LEU  19  -7.140  10.323 -19.655
  155   1HD2  LEU  19          1HD2      LEU  19  -3.705  11.331 -18.552
  156   2HD2  LEU  19          2HD2      LEU  19  -5.199  11.918 -19.320
  157   3HD2  LEU  19          3HD2      LEU  19  -5.176  11.559 -17.576
  158    H    GLY  20           H        GLY  20  -5.428   5.645 -17.847
  159   1HA   GLY  20          1HA       GLY  20  -7.128   4.666 -19.087
  160   2HA   GLY  20          2HA       GLY  20  -6.555   5.462 -20.540
  161    H    ASP  21           H        ASP  21  -3.716   4.465 -19.224
  162    HA   ASP  21           HA       ASP  21  -3.583   2.258 -20.997
  163   1HB   ASP  21          1HB       ASP  21  -1.589   3.330 -18.945
  164   2HB   ASP  21          2HB       ASP  21  -1.213   2.101 -20.137
  165    H    ASN  22           H        ASN  22  -5.457   1.147 -19.548
  166    HA   ASN  22           HA       ASN  22  -4.642   0.858 -16.813
  167   1HB   ASN  22          1HB       ASN  22  -7.036   0.163 -16.470
  168   2HB   ASN  22          2HB       ASN  22  -6.913   1.708 -17.288
  169   1HD2  ASN  22          1HD2      ASN  22  -9.299  -0.855 -18.897
  170   2HD2  ASN  22          2HD2      ASN  22  -8.964  -0.470 -17.241
  171    H    ASP  23           H        ASP  23  -3.108  -0.806 -18.495
  172    HA   ASP  23           HA       ASP  23  -4.337  -3.415 -18.142
  173   1HB   ASP  23          1HB       ASP  23  -3.527  -3.410 -20.323
  174   2HB   ASP  23          2HB       ASP  23  -2.245  -2.272 -19.960
  175    H    TYR  24           H        TYR  24  -1.090  -1.757 -17.898
  176    HA   TYR  24           HA       TYR  24   0.110  -3.703 -16.318
  177   1HB   TYR  24          1HB       TYR  24   0.457  -0.647 -16.544
  178   2HB   TYR  24          2HB       TYR  24   1.663  -1.704 -15.835
  179    HD1  TYR  24           HD1      TYR  24   2.538  -3.649 -17.389
  180    HD2  TYR  24           HD2      TYR  24   0.592  -0.116 -18.813
  181    HE1  TYR  24           HE1      TYR  24   3.576  -3.994 -19.684
  182    HE2  TYR  24           HE2      TYR  24   1.636  -0.472 -21.103
  183    HH   TYR  24           HH       TYR  24   2.851  -1.751 -22.345
  184    H    CYS  25           H        CYS  25  -1.908  -0.862 -15.473
  185    HA   CYS  25           HA       CYS  25  -1.253  -0.814 -12.763
  186   1HB   CYS  25          1HB       CYS  25  -3.830   0.056 -14.089
  187   2HB   CYS  25          2HB       CYS  25  -3.283   0.518 -12.489
  188    H    LEU  26           H        LEU  26  -4.015  -2.310 -14.602
  189    HA   LEU  26           HA       LEU  26  -5.216  -3.545 -12.429
  190   1HB   LEU  26          1HB       LEU  26  -5.659  -3.310 -15.140
  191   2HB   LEU  26          2HB       LEU  26  -5.349  -5.025 -14.950
  192    HG   LEU  26           HG       LEU  26  -7.307  -3.670 -13.117
  193   1HD1  LEU  26          1HD1      LEU  26  -7.920  -4.585 -15.941
  194   2HD1  LEU  26          2HD1      LEU  26  -9.125  -4.135 -14.711
  195   3HD1  LEU  26          3HD1      LEU  26  -7.982  -2.916 -15.325
  196   1HD2  LEU  26          1HD2      LEU  26  -7.019  -6.474 -14.224
  197   2HD2  LEU  26          2HD2      LEU  26  -6.737  -5.928 -12.554
  198   3HD2  LEU  26          3HD2      LEU  26  -8.384  -5.920 -13.227
  199    H    ARG  27           H        ARG  27  -2.550  -4.655 -14.611
  200    HA   ARG  27           HA       ARG  27  -2.860  -7.303 -13.833
  201   1HB   ARG  27          1HB       ARG  27  -0.950  -5.705 -15.476
  202   2HB   ARG  27          2HB       ARG  27  -0.258  -7.164 -14.795
  203   1HG   ARG  27          1HG       ARG  27  -2.453  -8.333 -15.686
  204   2HG   ARG  27          2HG       ARG  27  -2.618  -6.902 -16.686
  205   1HD   ARG  27          1HD       ARG  27  -0.054  -8.557 -16.605
  206   2HD   ARG  27          2HD       ARG  27  -1.348  -8.880 -17.742
  207    HE   ARG  27           HE       ARG  27  -0.891  -6.169 -18.074
  208   1HH1  ARG  27          2HH1      ARG  27   1.002  -9.111 -18.414
  209   2HH1  ARG  27          1HH1      ARG  27   2.241  -8.361 -19.364
  210   1HH2  ARG  27          1HH2      ARG  27   0.711  -5.188 -19.386
  211   2HH2  ARG  27          2HH2      ARG  27   2.052  -6.123 -19.955
  212    H    GLU  28           H        GLU  28  -0.576  -4.677 -12.850
  213    HA   GLU  28           HA       GLU  28   0.997  -6.304 -11.226
  214   1HB   GLU  28          1HB       GLU  28   0.508  -3.303 -11.301
  215   2HB   GLU  28          2HB       GLU  28   1.642  -4.029 -10.179
  216   1HG   GLU  28          1HG       GLU  28   1.740  -4.313 -13.220
  217   2HG   GLU  28          2HG       GLU  28   2.770  -3.261 -12.269
  218    H    CYS  29           H        CYS  29  -1.914  -4.262 -10.590
  219    HA   CYS  29           HA       CYS  29  -2.098  -4.728  -7.871
  220   1HB   CYS  29          1HB       CYS  29  -3.520  -3.285  -9.601
  221   2HB   CYS  29          2HB       CYS  29  -4.581  -4.678  -9.522
  222    H    LYS  30           H        LYS  30  -2.830  -6.730 -10.742
  223    HA   LYS  30           HA       LYS  30  -4.455  -8.567  -9.263
  224   1HB   LYS  30          1HB       LYS  30  -4.105  -7.860 -11.962
  225   2HB   LYS  30          2HB       LYS  30  -3.552  -9.518 -11.853
  226   1HG   LYS  30          1HG       LYS  30  -5.667 -10.195 -10.762
  227   2HG   LYS  30          2HG       LYS  30  -6.217  -8.532 -10.730
  228   1HD   LYS  30          1HD       LYS  30  -6.136  -8.467 -13.239
  229   2HD   LYS  30          2HD       LYS  30  -5.615 -10.140 -13.259
  230   1HE   LYS  30          1HE       LYS  30  -7.919 -10.411 -13.544
  231   2HE   LYS  30          2HE       LYS  30  -7.798 -10.555 -11.801
  232   1HZ   LYS  30          1HZ       LYS  30  -8.215  -8.110 -11.749
  233   2HZ   LYS  30          2HZ       LYS  30  -8.599  -8.190 -13.334
  234   3HZ   LYS  30          3HZ       LYS  30  -9.479  -9.020 -12.238
  235    H    GLN  31           H        GLN  31  -1.053  -8.104  -9.923
  236    HA   GLN  31           HA       GLN  31  -0.542 -10.812  -9.011
  237   1HB   GLN  31          1HB       GLN  31   1.305  -8.680 -10.165
  238   2HB   GLN  31          2HB       GLN  31   1.866 -10.234  -9.581
  239   1HG   GLN  31          1HG       GLN  31   0.599 -11.435 -11.259
  240   2HG   GLN  31          2HG       GLN  31  -0.319 -10.006 -11.693
  241   1HE2  GLN  31          1HE2      GLN  31   2.362  -8.383 -13.452
  242   2HE2  GLN  31          2HE2      GLN  31   0.893  -8.153 -12.563
  243    H    GLN  32           H        GLN  32  -1.719  -8.862  -7.129
  244    HA   GLN  32           HA       GLN  32  -0.228 -10.198  -5.216
  245   1HB   GLN  32          1HB       GLN  32   0.403  -8.153  -3.804
  246   2HB   GLN  32          2HB       GLN  32   1.402  -8.458  -5.211
  247   1HG   GLN  32          1HG       GLN  32   0.090  -6.783  -6.517
  248   2HG   GLN  32          2HG       GLN  32  -0.931  -6.486  -5.124
  249   1HE2  GLN  32          1HE2      GLN  32   1.283  -4.426  -3.382
  250   2HE2  GLN  32          2HE2      GLN  32  -0.146  -5.403  -3.335
  251    H    TYR  33           H        TYR  33  -2.648  -7.689  -6.085
  252    HA   TYR  33           HA       TYR  33  -4.382  -9.071  -4.154
  253   1HB   TYR  33          1HB       TYR  33  -4.731  -6.526  -5.859
  254   2HB   TYR  33          2HB       TYR  33  -5.880  -7.085  -4.660
  255    HD1  TYR  33           HD1      TYR  33  -4.569  -7.592  -2.254
  256    HD2  TYR  33           HD2      TYR  33  -3.496  -4.687  -5.205
  257    HE1  TYR  33           HE1      TYR  33  -3.374  -6.220  -0.478
  258    HE2  TYR  33           HE2      TYR  33  -2.305  -3.324  -3.419
  259    HH   TYR  33           HH       TYR  33  -1.705  -4.599  -0.281
  260    H    GLY  34           H        GLY  34  -3.504 -10.528  -6.424
  261   1HA   GLY  34          1HA       GLY  34  -5.074 -10.580  -8.644
  262   2HA   GLY  34          2HA       GLY  34  -4.524 -12.006  -7.787
  263    H    LYS  35           H        LYS  35  -6.040 -11.161  -5.266
  264    HA   LYS  35           HA       LYS  35  -8.539 -12.348  -5.945
  265   1HB   LYS  35          1HB       LYS  35  -7.457 -11.124  -3.392
  266   2HB   LYS  35          2HB       LYS  35  -9.037 -11.871  -3.517
  267   1HG   LYS  35          1HG       LYS  35  -7.993 -14.009  -4.248
  268   2HG   LYS  35          2HG       LYS  35  -6.406 -13.268  -4.194
  269   1HD   LYS  35          1HD       LYS  35  -6.694 -12.837  -1.741
  270   2HD   LYS  35          2HD       LYS  35  -8.276 -13.587  -1.798
  271   1HE   LYS  35          1HE       LYS  35  -7.241 -15.735  -2.548
  272   2HE   LYS  35          2HE       LYS  35  -5.657 -14.987  -2.521
  273   1HZ   LYS  35          1HZ       LYS  35  -7.425 -15.281  -0.193
  274   2HZ   LYS  35          2HZ       LYS  35  -6.101 -16.184  -0.501
  275   3HZ   LYS  35          3HZ       LYS  35  -5.944 -14.593  -0.171
  276    H    GLY  36           H        GLY  36  -8.726 -10.511  -7.743
  277   1HA   GLY  36          1HA       GLY  36 -10.595  -9.368  -8.383
  278   2HA   GLY  36          2HA       GLY  36 -11.065  -9.164  -6.706
  279    H    ALA  37           H        ALA  37  -8.331  -8.147  -8.901
  280    HA   ALA  37           HA       ALA  37  -8.711  -5.432  -7.850
  281   1HB   ALA  37          1HB       ALA  37  -6.429  -6.446  -7.686
  282   2HB   ALA  37          2HB       ALA  37  -6.404  -6.600  -9.459
  283   3HB   ALA  37          3HB       ALA  37  -6.472  -4.988  -8.705
  284    H    GLY  38           H        GLY  38  -9.249  -3.738  -9.257
  285   1HA   GLY  38          1HA       GLY  38  -9.922  -4.554 -12.014
  286   2HA   GLY  38          2HA       GLY  38 -11.116  -3.804 -10.973
  287    H    GLY  39           H        GLY  39  -8.139  -2.536 -10.029
  288   1HA   GLY  39          1HA       GLY  39  -8.902   0.050 -10.843
  289   2HA   GLY  39          2HA       GLY  39  -7.384  -0.419 -10.104
  290    H    TYR  40           H        TYR  40  -6.391   1.236 -11.656
  291    HA   TYR  40           HA       TYR  40  -6.054   0.461 -14.354
  292   1HB   TYR  40          1HB       TYR  40  -7.715   2.439 -15.040
  293   2HB   TYR  40          2HB       TYR  40  -8.400   0.868 -14.673
  294    HD1  TYR  40           HD1      TYR  40  -7.390   3.974 -12.809
  295    HD2  TYR  40           HD2      TYR  40 -10.263   0.842 -13.301
  296    HE1  TYR  40           HE1      TYR  40  -8.852   5.022 -11.011
  297    HE2  TYR  40           HE2      TYR  40 -11.715   1.901 -11.501
  298    HH   TYR  40           HH       TYR  40 -10.679   4.893  -9.879
  299    H    CYS  41           H        CYS  41  -5.658   2.693 -15.708
  300    HA   CYS  41           HA       CYS  41  -3.732   4.088 -14.036
  301   1HB   CYS  41          1HB       CYS  41  -4.035   3.740 -17.011
  302   2HB   CYS  41          2HB       CYS  41  -2.998   4.983 -16.341
  303    H    TYR  42           H        TYR  42  -4.741   5.815 -12.992
  304    HA   TYR  42           HA       TYR  42  -6.584   7.495 -14.432
  305   1HB   TYR  42          1HB       TYR  42  -5.633   6.933 -11.737
  306   2HB   TYR  42          2HB       TYR  42  -5.333   8.633 -12.038
  307    HD1  TYR  42           HD1      TYR  42  -7.708   9.248 -13.804
  308    HD2  TYR  42           HD2      TYR  42  -7.394   7.011 -10.170
  309    HE1  TYR  42           HE1      TYR  42 -10.138   9.766 -13.266
  310    HE2  TYR  42           HE2      TYR  42  -9.825   7.538  -9.645
  311    HH   TYR  42           HH       TYR  42 -11.769   9.504 -11.883
  312    H    ALA  43           H        ALA  43  -5.756  10.057 -13.561
  313    HA   ALA  43           HA       ALA  43  -4.092  10.857 -15.599
  314   1HB   ALA  43          1HB       ALA  43  -4.633  12.125 -12.884
  315   2HB   ALA  43          2HB       ALA  43  -3.909  12.964 -14.276
  316   3HB   ALA  43          3HB       ALA  43  -5.580  12.359 -14.372
  317    H    PHE  44           H        PHE  44  -2.296   9.364 -15.711
  318    HA   PHE  44           HA       PHE  44  -0.175   8.842 -15.403
  319   1HB   PHE  44          1HB       PHE  44  -0.054  11.524 -13.906
  320   2HB   PHE  44          2HB       PHE  44   1.267  10.766 -14.773
  321    HD1  PHE  44           HD1      PHE  44   0.743  10.310 -17.350
  322    HD2  PHE  44           HD2      PHE  44  -1.186  13.236 -14.957
  323    HE1  PHE  44           HE1      PHE  44   0.124  11.593 -19.417
  324    HE2  PHE  44           HE2      PHE  44  -1.803  14.519 -17.023
  325    HZ   PHE  44           HZ       PHE  44  -1.141  13.683 -19.228
  326    H    ALA  45           H        ALA  45  -2.024   7.937 -13.304
  327    HA   ALA  45           HA       ALA  45   0.150   6.924 -11.759
  328   1HB   ALA  45          1HB       ALA  45  -2.049   8.535 -10.403
  329   2HB   ALA  45          2HB       ALA  45  -0.924   7.451  -9.550
  330   3HB   ALA  45          3HB       ALA  45  -0.304   8.886 -10.400
  331    H    CYS  46           H        CYS  46  -0.339   4.844 -10.945
  332    HA   CYS  46           HA       CYS  46  -2.818   3.751 -11.939
  333   1HB   CYS  46          1HB       CYS  46  -0.391   2.495 -10.651
  334   2HB   CYS  46          2HB       CYS  46  -1.831   1.592 -11.077
  335    H    TRP  47           H        TRP  47  -4.588   3.290 -10.633
  336    HA   TRP  47           HA       TRP  47  -4.174   3.530  -7.735
  337   1HB   TRP  47          1HB       TRP  47  -5.076   5.628  -8.401
  338   2HB   TRP  47          2HB       TRP  47  -6.276   4.872  -9.431
  339    HD1  TRP  47           HD1      TRP  47  -8.018   3.104  -7.797
  340    HE1  TRP  47           HE1      TRP  47  -9.299   3.708  -5.570
  341    HE3  TRP  47           HE3      TRP  47  -5.058   7.042  -6.544
  342    HZ2  TRP  47           HZ2      TRP  47  -8.939   5.721  -3.580
  343    HZ3  TRP  47           HZ3      TRP  47  -5.591   8.274  -4.443
  344    HH2  TRP  47           HH2      TRP  47  -7.455   7.671  -2.982
  345    H    CYS  48           H        CYS  48  -5.134   1.871  -6.581
  346    HA   CYS  48           HA       CYS  48  -6.624  -0.049  -8.198
  347   1HB   CYS  48          1HB       CYS  48  -5.004  -0.336  -5.671
  348   2HB   CYS  48          2HB       CYS  48  -6.117  -1.578  -6.208
  349    H    THR  49           H        THR  49  -8.649  -0.949  -7.277
  350    HA   THR  49           HA       THR  49  -9.955   0.663  -5.281
  351    HB   THR  49           HB       THR  49  -9.932   2.315  -7.061
  352    HG1  THR  49           HG1      THR  49 -12.219   2.406  -7.243
  353   1HG2  THR  49          1HG2      THR  49 -10.540  -0.091  -8.792
  354   2HG2  THR  49          2HG2      THR  49 -11.241   1.478  -9.253
  355   3HG2  THR  49          3HG2      THR  49  -9.474   1.294  -9.130
  356    H    HIS  50           H        HIS  50  -9.816  -1.833  -4.814
  357    HA   HIS  50           HA       HIS  50 -12.367  -2.883  -5.147
  358   1HB   HIS  50          1HB       HIS  50 -11.356  -3.095  -7.525
  359   2HB   HIS  50          2HB       HIS  50 -10.380  -4.384  -6.848
  360    HD1  HIS  50           HD1      HIS  50 -12.056  -6.213  -5.380
  361    HD2  HIS  50           HD2      HIS  50 -13.642  -4.075  -8.623
  362    HE1  HIS  50           HE1      HIS  50 -14.125  -7.499  -6.142
  363    H    LEU  51           H        LEU  51 -10.762  -2.452  -2.915
  364    HA   LEU  51           HA       LEU  51  -9.139  -4.885  -2.627
  365   1HB   LEU  51          1HB       LEU  51  -8.566  -2.085  -1.645
  366   2HB   LEU  51          2HB       LEU  51  -7.572  -3.498  -1.347
  367    HG   LEU  51           HG       LEU  51  -8.176  -2.691  -4.177
  368   1HD1  LEU  51          1HD1      LEU  51  -6.421  -1.237  -2.243
  369   2HD1  LEU  51          2HD1      LEU  51  -5.865  -1.436  -3.923
  370   3HD1  LEU  51          3HD1      LEU  51  -7.411  -0.620  -3.588
  371   1HD2  LEU  51          1HD2      LEU  51  -7.077  -4.839  -3.762
  372   2HD2  LEU  51          2HD2      LEU  51  -5.999  -3.706  -4.613
  373   3HD2  LEU  51          3HD2      LEU  51  -5.777  -4.008  -2.873
  374    H    TYR  52           H        TYR  52  -8.609  -5.327  -0.205
  375    HA   TYR  52           HA       TYR  52 -11.059  -4.856   1.346
  376   1HB   TYR  52          1HB       TYR  52  -9.433  -6.802   2.592
  377   2HB   TYR  52          2HB       TYR  52 -10.786  -7.164   1.539
  378    HD1  TYR  52           HD1      TYR  52  -7.103  -6.756   1.659
  379    HD2  TYR  52           HD2      TYR  52 -10.451  -8.067  -0.659
  380    HE1  TYR  52           HE1      TYR  52  -5.529  -7.890   0.015
  381    HE2  TYR  52           HE2      TYR  52  -8.866  -9.195  -2.296
  382    HH   TYR  52           HH       TYR  52  -6.630  -9.068  -3.012
  383    H    GLU  53           H        GLU  53 -10.197  -5.346   3.904
  384    HA   GLU  53           HA       GLU  53  -9.227  -2.852   4.545
  385   1HB   GLU  53          1HB       GLU  53  -9.388  -5.419   6.179
  386   2HB   GLU  53          2HB       GLU  53  -8.964  -3.868   6.877
  387   1HG   GLU  53          1HG       GLU  53 -11.244  -3.751   7.217
  388   2HG   GLU  53          2HG       GLU  53 -11.214  -3.097   5.592
  389    H    GLN  54           H        GLN  54  -7.566  -5.816   3.668
  390    HA   GLN  54           HA       GLN  54  -5.070  -4.797   4.694
  391   1HB   GLN  54          1HB       GLN  54  -5.949  -7.396   3.413
  392   2HB   GLN  54          2HB       GLN  54  -4.243  -6.998   3.495
  393   1HG   GLN  54          1HG       GLN  54  -6.085  -6.969   5.930
  394   2HG   GLN  54          2HG       GLN  54  -5.139  -8.367   5.460
  395   1HE2  GLN  54          1HE2      GLN  54  -3.348  -6.292   8.038
  396   2HE2  GLN  54          2HE2      GLN  54  -4.919  -7.011   7.904
  397    H    ALA  55           H        ALA  55  -6.618  -3.358   2.514
  398    HA   ALA  55           HA       ALA  55  -4.877  -3.330   0.303
  399   1HB   ALA  55          1HB       ALA  55  -7.062  -2.191   0.366
  400   2HB   ALA  55          2HB       ALA  55  -6.464  -1.099   1.639
  401   3HB   ALA  55          3HB       ALA  55  -5.754  -1.037   0.007
  402    H    ILE  56           H        ILE  56  -2.746  -2.790   0.180
  403    HA   ILE  56           HA       ILE  56  -1.750  -0.966   2.257
  404    HB   ILE  56           HB       ILE  56  -0.134  -2.890   0.588
  405   1HG1  ILE  56          1HG1      ILE  56  -1.782  -4.056   2.071
  406   2HG1  ILE  56          2HG1      ILE  56  -0.101  -4.419   2.409
  407   1HG2  ILE  56          1HG2      ILE  56   0.511  -1.141   2.970
  408   2HG2  ILE  56          2HG2      ILE  56   1.556  -2.468   2.407
  409   3HG2  ILE  56          3HG2      ILE  56   1.219  -1.085   1.338
  410   1HD1  ILE  56          1HD1      ILE  56  -1.718  -2.310   3.913
  411   2HD1  ILE  56          2HD1      ILE  56  -1.469  -3.979   4.480
  412   3HD1  ILE  56          3HD1      ILE  56  -0.079  -2.879   4.312
  413    H    VAL  57           H        VAL  57  -1.185   1.058   1.610
  414    HA   VAL  57           HA       VAL  57  -0.938   1.489  -1.274
  415    HB   VAL  57           HB       VAL  57  -3.061   2.165  -1.280
  416   1HG1  VAL  57          1HG1      VAL  57  -2.898   2.465   1.736
  417   2HG1  VAL  57          2HG1      VAL  57  -4.369   2.743   0.772
  418   3HG1  VAL  57          3HG1      VAL  57  -3.629   1.124   0.820
  419   1HG2  VAL  57          1HG2      VAL  57  -1.892   4.481   0.299
  420   2HG2  VAL  57          2HG2      VAL  57  -1.912   4.299  -1.472
  421   3HG2  VAL  57          3HG2      VAL  57  -3.439   4.514  -0.582
  422    H    TRP  58           H        TRP  58   0.123   3.565  -1.810
  423    HA   TRP  58           HA       TRP  58   2.480   3.551  -0.328
  424   1HB   TRP  58          1HB       TRP  58   2.444   4.010  -2.691
  425   2HB   TRP  58          2HB       TRP  58   1.465   5.444  -2.453
  426    HD1  TRP  58           HD1      TRP  58   5.092   4.268  -2.267
  427    HE1  TRP  58           HE1      TRP  58   6.755   6.278  -1.868
  428    HE3  TRP  58           HE3      TRP  58   1.501   7.731  -1.284
  429    HZ2  TRP  58           HZ2      TRP  58   6.389   9.029  -1.202
  430    HZ3  TRP  58           HZ3      TRP  58   2.238  10.056  -0.769
  431    HH2  TRP  58           HH2      TRP  58   4.589  10.726  -0.718
  432    HA   PRO  59           HA       PRO  59   3.970   4.525   0.191
  433   1HB   PRO  59          1HB       PRO  59   5.531   5.232   2.319
  434   2HB   PRO  59          2HB       PRO  59   5.505   6.124   0.812
  435   1HG   PRO  59          1HG       PRO  59   4.280   6.835   3.407
  436   2HG   PRO  59          2HG       PRO  59   4.632   7.872   2.039
  437   1HD   PRO  59          1HD       PRO  59   2.063   6.844   2.797
  438   2HD   PRO  59          2HD       PRO  59   2.435   7.784   1.366
  439    H    LEU  60           H        LEU  60   5.437   2.896   1.505
  440    HA   LEU  60           HA       LEU  60   3.709   1.300   3.120
  441   1HB   LEU  60          1HB       LEU  60   6.705   1.176   2.752
  442   2HB   LEU  60          2HB       LEU  60   5.694  -0.062   3.471
  443    HG   LEU  60           HG       LEU  60   4.941   0.752   0.722
  444   1HD1  LEU  60          1HD1      LEU  60   7.402   0.834   0.592
  445   2HD1  LEU  60          2HD1      LEU  60   7.477  -0.835   1.205
  446   3HD1  LEU  60          3HD1      LEU  60   6.711  -0.498  -0.366
  447   1HD2  LEU  60          1HD2      LEU  60   5.285  -1.925   2.100
  448   2HD2  LEU  60          2HD2      LEU  60   3.761  -1.033   1.874
  449   3HD2  LEU  60          3HD2      LEU  60   4.634  -1.675   0.463
  450    HA   PRO  61           HA       PRO  61   3.654   3.296   6.580
  451   1HB   PRO  61          1HB       PRO  61   3.401   1.438   8.568
  452   2HB   PRO  61          2HB       PRO  61   2.129   1.787   7.415
  453   1HG   PRO  61          1HG       PRO  61   3.935  -0.551   7.531
  454   2HG   PRO  61          2HG       PRO  61   2.415  -0.380   6.677
  455   1HD   PRO  61          1HD       PRO  61   5.044  -0.281   5.536
  456   2HD   PRO  61          2HD       PRO  61   3.529   0.005   4.703
  457    H    ASN  62           H        ASN  62   6.237   0.970   6.998
  458    HA   ASN  62           HA       ASN  62   7.760   3.199   7.998
  459   1HB   ASN  62          1HB       ASN  62   8.808   1.595   9.755
  460   2HB   ASN  62          2HB       ASN  62   7.210   2.217  10.117
  461   1HD2  ASN  62          1HD2      ASN  62   5.496  -0.823   9.923
  462   2HD2  ASN  62          2HD2      ASN  62   5.403   0.906   9.952
  463    H    LYS  63           H        LYS  63   7.818   2.056   5.413
  464    HA   LYS  63           HA       LYS  63  10.595   1.732   5.302
  465   1HB   LYS  63          1HB       LYS  63  10.558  -0.552   4.156
  466   2HB   LYS  63          2HB       LYS  63  10.436  -0.523   5.904
  467   1HG   LYS  63          1HG       LYS  63   7.872  -0.578   5.599
  468   2HG   LYS  63          2HG       LYS  63   8.167  -0.912   3.904
  469   1HD   LYS  63          1HD       LYS  63   8.198  -3.106   4.543
  470   2HD   LYS  63          2HD       LYS  63   9.831  -2.770   5.083
  471   1HE   LYS  63          1HE       LYS  63   7.350  -2.459   6.841
  472   2HE   LYS  63          2HE       LYS  63   8.378  -3.878   6.838
  473   1HZ   LYS  63          1HZ       LYS  63  10.233  -2.376   7.398
  474   2HZ   LYS  63          2HZ       LYS  63   9.171  -1.148   7.567
  475   3HZ   LYS  63          3HZ       LYS  63   9.082  -2.446   8.554
  476    H    ARG  64           H        ARG  64   9.228   3.717   4.262
  477    HA   ARG  64           HA       ARG  64   8.252   3.249   1.701
  478   1HB   ARG  64          1HB       ARG  64   8.554   5.710   1.395
  479   2HB   ARG  64          2HB       ARG  64   7.813   5.347   2.941
  480   1HG   ARG  64          1HG       ARG  64   9.745   5.890   4.163
  481   2HG   ARG  64          2HG       ARG  64  10.822   5.539   2.825
  482   1HD   ARG  64          1HD       ARG  64   9.353   7.620   1.760
  483   2HD   ARG  64          2HD       ARG  64   9.344   8.055   3.458
  484    HE   ARG  64           HE       ARG  64  11.723   7.873   1.699
  485   1HH1  ARG  64          2HH1      ARG  64  10.706   7.835   5.050
  486   2HH1  ARG  64          1HH1      ARG  64  11.982   8.871   5.597
  487   1HH2  ARG  64          1HH2      ARG  64  13.457   9.213   2.415
  488   2HH2  ARG  64          2HH2      ARG  64  13.630   9.551   4.104
  489    H    CYS  65           H        CYS  65   9.404   4.274  -0.347
  490    HA   CYS  65           HA       CYS  65  12.019   3.338  -0.670
  491   1HB   CYS  65          1HB       CYS  65  10.243   3.923  -2.436
  492   2HB   CYS  65          2HB       CYS  65  10.790   5.579  -2.265
  493    H    SER  66           H        SER  66  14.037   4.518  -0.643
  494    HA   SER  66           HA       SER  66  14.278   6.128   1.546
  495   1HB   SER  66          1HB       SER  66  16.587   6.535   0.774
  496   2HB   SER  66          2HB       SER  66  16.143   4.854   0.548
  497    HG   SER  66           HG       SER  66  16.226   5.066  -1.609
  498   1HN   NH2  67          1H        SER  66  14.742   7.109  -1.873
  499   2HN   NH2  67          2H        SER  66  14.346   8.781  -1.664
   
  No H/Q in entry =         499
  Start of MODEL    8
    1   1H    LYS   1          1H        LYS   1 -10.814   2.361   1.209
    2   2H    LYS   1          2H        LYS   1 -10.441   2.542   2.812
    3   3H    LYS   1          3H        LYS   1  -9.676   3.470   1.674
    4    HA   LYS   1           HA       LYS   1  -8.117   1.962   2.161
    5   1HB   LYS   1          1HB       LYS   1  -8.763  -0.531   2.263
    6   2HB   LYS   1          2HB       LYS   1  -9.168   0.497   3.623
    7   1HG   LYS   1          1HG       LYS   1 -11.123  -0.854   3.104
    8   2HG   LYS   1          2HG       LYS   1 -11.484   0.802   2.659
    9   1HD   LYS   1          1HD       LYS   1 -11.133   0.353   0.307
   10   2HD   LYS   1          2HD       LYS   1 -10.386  -1.197   0.639
   11   1HE   LYS   1          1HE       LYS   1 -12.533  -2.090   1.495
   12   2HE   LYS   1          2HE       LYS   1 -13.296  -0.525   1.295
   13   1HZ   LYS   1          1HZ       LYS   1 -12.797  -0.697  -1.078
   14   2HZ   LYS   1          2HZ       LYS   1 -12.198  -2.200  -0.855
   15   3HZ   LYS   1          3HZ       LYS   1 -13.777  -1.899  -0.566
   16    H    GLU   2           H        GLU   2  -9.387   3.143  -0.277
   17    HA   GLU   2           HA       GLU   2  -8.021   1.269  -2.044
   18   1HB   GLU   2          1HB       GLU   2 -10.465   2.985  -2.624
   19   2HB   GLU   2          2HB       GLU   2  -9.475   2.312  -3.904
   20   1HG   GLU   2          1HG       GLU   2 -10.050   0.082  -3.368
   21   2HG   GLU   2          2HG       GLU   2 -10.474   0.477  -1.714
   22    H    GLY   3           H        GLY   3  -6.815   2.335  -3.855
   23   1HA   GLY   3          1HA       GLY   3  -6.206   4.994  -4.076
   24   2HA   GLY   3          2HA       GLY   3  -5.279   4.455  -2.691
   25    H    TYR   4           H        TYR   4  -3.394   5.021  -4.142
   26    HA   TYR   4           HA       TYR   4  -3.045   3.468  -6.520
   27   1HB   TYR   4          1HB       TYR   4  -1.131   5.177  -4.813
   28   2HB   TYR   4          2HB       TYR   4  -0.866   4.747  -6.491
   29    HD1  TYR   4           HD1      TYR   4  -3.128   5.386  -7.997
   30    HD2  TYR   4           HD2      TYR   4  -1.720   7.388  -4.488
   31    HE1  TYR   4           HE1      TYR   4  -4.319   7.512  -8.723
   32    HE2  TYR   4           HE2      TYR   4  -2.915   9.507  -5.227
   33    HH   TYR   4           HH       TYR   4  -4.792   9.558  -8.247
   34    H    LEU   5           H        LEU   5  -2.034   1.524  -6.758
   35    HA   LEU   5           HA       LEU   5  -1.509   0.029  -4.449
   36   1HB   LEU   5          1HB       LEU   5  -1.272  -1.744  -5.852
   37   2HB   LEU   5          2HB       LEU   5  -2.246  -0.666  -6.833
   38    HG   LEU   5           HG       LEU   5   0.762  -0.931  -7.081
   39   1HD1  LEU   5          1HD1      LEU   5  -0.498  -3.036  -7.619
   40   2HD1  LEU   5          2HD1      LEU   5  -1.327  -2.133  -8.910
   41   3HD1  LEU   5          3HD1      LEU   5   0.438  -2.349  -8.968
   42   1HD2  LEU   5          1HD2      LEU   5  -1.309   0.475  -8.785
   43   2HD2  LEU   5          2HD2      LEU   5   0.024   1.212  -7.862
   44   3HD2  LEU   5          3HD2      LEU   5   0.378   0.190  -9.277
   45    H    VAL   6           H        VAL   6   0.660  -1.190  -4.117
   46    HA   VAL   6           HA       VAL   6   2.839   0.735  -4.399
   47    HB   VAL   6           HB       VAL   6   1.730   1.352  -2.355
   48   1HG1  VAL   6          1HG1      VAL   6   2.018  -1.558  -1.533
   49   2HG1  VAL   6          2HG1      VAL   6   1.460  -0.235  -0.479
   50   3HG1  VAL   6          3HG1      VAL   6   0.499  -0.704  -1.902
   51   1HG2  VAL   6          1HG2      VAL   6   4.271   1.232  -2.496
   52   2HG2  VAL   6          2HG2      VAL   6   3.571   1.266  -0.860
   53   3HG2  VAL   6          3HG2      VAL   6   4.157  -0.268  -1.546
   54    H    ASP   7           H        ASP   7   4.905  -0.217  -4.410
   55    HA   ASP   7           HA       ASP   7   4.949  -3.017  -4.809
   56   1HB   ASP   7          1HB       ASP   7   6.506  -1.580  -6.024
   57   2HB   ASP   7          2HB       ASP   7   7.126  -0.900  -4.533
   58    H    LYS   8           H        LYS   8   5.491  -4.611  -3.263
   59    HA   LYS   8           HA       LYS   8   5.382  -3.774  -0.547
   60   1HB   LYS   8          1HB       LYS   8   5.333  -6.337  -2.054
   61   2HB   LYS   8          2HB       LYS   8   5.907  -6.421  -0.402
   62   1HG   LYS   8          1HG       LYS   8   3.496  -6.749  -0.374
   63   2HG   LYS   8          2HG       LYS   8   3.836  -5.191   0.352
   64   1HD   LYS   8          1HD       LYS   8   3.092  -3.988  -1.566
   65   2HD   LYS   8          2HD       LYS   8   3.251  -5.378  -2.621
   66   1HE   LYS   8          1HE       LYS   8   1.299  -5.481  -0.302
   67   2HE   LYS   8          2HE       LYS   8   0.852  -4.633  -1.769
   68   1HZ   LYS   8          1HZ       LYS   8   1.778  -7.421  -1.686
   69   2HZ   LYS   8          2HZ       LYS   8   0.214  -6.962  -1.787
   70   3HZ   LYS   8          3HZ       LYS   8   1.247  -6.624  -3.008
   71    H    ASN   9           H        ASN   9   7.911  -4.319  -2.885
   72    HA   ASN   9           HA       ASN   9   9.868  -5.024  -0.963
   73   1HB   ASN   9          1HB       ASN   9   9.732  -4.533  -3.904
   74   2HB   ASN   9          2HB       ASN   9  11.270  -4.097  -3.185
   75   1HD2  ASN   9          1HD2      ASN   9  12.116  -7.442  -3.883
   76   2HD2  ASN   9          2HD2      ASN   9  12.159  -5.805  -4.446
   77    H    THR  10           H        THR  10   9.873  -2.259  -3.346
   78    HA   THR  10           HA       THR  10  11.657  -0.863  -1.537
   79    HB   THR  10           HB       THR  10  11.985   0.573  -3.568
   80    HG1  THR  10           HG1      THR  10  10.376  -1.221  -5.082
   81   1HG2  THR  10          1HG2      THR  10  11.841  -2.396  -4.307
   82   2HG2  THR  10          2HG2      THR  10  12.797  -1.151  -5.146
   83   3HG2  THR  10          3HG2      THR  10  13.223  -1.631  -3.487
   84    H    GLY  11           H        GLY  11   8.265  -0.927  -2.224
   85   1HA   GLY  11          1HA       GLY  11   6.600   0.580  -2.091
   86   2HA   GLY  11          2HA       GLY  11   7.458   1.211  -0.699
   87    H    CYS  12           H        CYS  12   8.611   1.154  -4.121
   88    HA   CYS  12           HA       CYS  12   8.872   4.038  -3.979
   89   1HB   CYS  12          1HB       CYS  12  10.304   1.907  -5.271
   90   2HB   CYS  12          2HB       CYS  12   9.763   3.053  -6.480
   91    H    LYS  13           H        LYS  13   8.142   5.301  -6.010
   92    HA   LYS  13           HA       LYS  13   5.379   4.994  -5.985
   93   1HB   LYS  13          1HB       LYS  13   6.617   7.134  -6.238
   94   2HB   LYS  13          2HB       LYS  13   7.081   6.663  -7.860
   95   1HG   LYS  13          1HG       LYS  13   4.661   6.480  -8.494
   96   2HG   LYS  13          2HG       LYS  13   4.205   6.968  -6.873
   97   1HD   LYS  13          1HD       LYS  13   5.510   9.123  -7.220
   98   2HD   LYS  13          2HD       LYS  13   5.791   8.638  -8.880
   99   1HE   LYS  13          1HE       LYS  13   3.042   9.043  -7.602
  100   2HE   LYS  13          2HE       LYS  13   3.832  10.175  -8.682
  101   1HZ   LYS  13          1HZ       LYS  13   3.913   8.227 -10.274
  102   2HZ   LYS  13          2HZ       LYS  13   2.811   7.510  -9.306
  103   3HZ   LYS  13          3HZ       LYS  13   2.460   8.931 -10.030
  104    H    TYR  14           H        TYR  14   3.909   4.013  -7.329
  105    HA   TYR  14           HA       TYR  14   5.059   2.612  -9.646
  106   1HB   TYR  14          1HB       TYR  14   4.137   1.575  -7.183
  107   2HB   TYR  14          2HB       TYR  14   2.706   1.458  -8.187
  108    HD1  TYR  14           HD1      TYR  14   2.645  -0.045 -10.130
  109    HD2  TYR  14           HD2      TYR  14   6.114   0.211  -7.637
  110    HE1  TYR  14           HE1      TYR  14   3.538  -2.200 -11.139
  111    HE2  TYR  14           HE2      TYR  14   6.995  -1.946  -8.655
  112    HH   TYR  14           HH       TYR  14   5.034  -3.795 -10.938
  113    H    GLU  15           H        GLU  15   3.858   2.761 -11.568
  114    HA   GLU  15           HA       GLU  15   1.415   4.232 -11.462
  115   1HB   GLU  15          1HB       GLU  15   2.356   6.285 -12.515
  116   2HB   GLU  15          2HB       GLU  15   2.976   6.028 -10.895
  117   1HG   GLU  15          1HG       GLU  15   5.036   4.965 -11.869
  118   2HG   GLU  15          2HG       GLU  15   4.418   5.269 -13.481
  119    H    CYS  16           H        CYS  16   1.072   5.193 -13.920
  120    HA   CYS  16           HA       CYS  16   1.026   2.684 -15.302
  121   1HB   CYS  16          1HB       CYS  16  -0.871   4.458 -15.018
  122   2HB   CYS  16          2HB       CYS  16  -0.110   5.241 -16.387
  123    H    LEU  17           H        LEU  17   2.716   5.901 -15.572
  124    HA   LEU  17           HA       LEU  17   3.268   7.072 -17.359
  125   1HB   LEU  17          1HB       LEU  17   4.012   4.463 -18.675
  126   2HB   LEU  17          2HB       LEU  17   4.640   6.060 -19.027
  127    HG   LEU  17           HG       LEU  17   5.068   4.571 -16.422
  128   1HD1  LEU  17          1HD1      LEU  17   6.184   3.431 -18.263
  129   2HD1  LEU  17          2HD1      LEU  17   6.951   4.957 -18.765
  130   3HD1  LEU  17          3HD1      LEU  17   7.369   4.225 -17.198
  131   1HD2  LEU  17          1HD2      LEU  17   6.197   7.184 -17.457
  132   2HD2  LEU  17          2HD2      LEU  17   5.146   6.938 -16.041
  133   3HD2  LEU  17          3HD2      LEU  17   6.811   6.309 -16.033
  134    H    LYS  18           H        LYS  18   1.918   8.119 -18.724
  135    HA   LYS  18           HA       LYS  18   0.195   8.514 -20.045
  136   1HB   LYS  18          1HB       LYS  18   1.422   6.915 -21.553
  137   2HB   LYS  18          2HB       LYS  18   0.386   5.631 -20.961
  138   1HG   LYS  18          1HG       LYS  18  -1.301   7.861 -21.683
  139   2HG   LYS  18          2HG       LYS  18  -0.183   7.586 -23.005
  140   1HD   LYS  18          1HD       LYS  18  -0.831   5.209 -23.124
  141   2HD   LYS  18          2HD       LYS  18  -1.846   5.378 -21.706
  142   1HE   LYS  18          1HE       LYS  18  -2.349   7.198 -24.070
  143   2HE   LYS  18          2HE       LYS  18  -2.888   5.533 -24.164
  144   1HZ   LYS  18          1HZ       LYS  18  -3.532   7.211 -21.853
  145   2HZ   LYS  18          2HZ       LYS  18  -4.469   7.199 -23.191
  146   3HZ   LYS  18          3HZ       LYS  18  -4.257   5.827 -22.330
  147    H    LEU  19           H        LEU  19  -1.414   9.004 -18.595
  148    HA   LEU  19           HA       LEU  19  -2.752   7.071 -17.060
  149   1HB   LEU  19          1HB       LEU  19  -4.265   8.828 -16.506
  150   2HB   LEU  19          2HB       LEU  19  -2.628   9.452 -16.511
  151    HG   LEU  19           HG       LEU  19  -3.725   9.892 -19.112
  152   1HD1  LEU  19          1HD1      LEU  19  -5.937   9.643 -18.114
  153   2HD1  LEU  19          2HD1      LEU  19  -5.530  10.856 -16.876
  154   3HD1  LEU  19          3HD1      LEU  19  -5.636  11.332 -18.588
  155   1HD2  LEU  19          1HD2      LEU  19  -1.939  11.187 -18.016
  156   2HD2  LEU  19          2HD2      LEU  19  -3.262  12.220 -18.609
  157   3HD2  LEU  19          3HD2      LEU  19  -3.134  11.848 -16.873
  158    H    GLY  20           H        GLY  20  -5.178   6.613 -17.285
  159   1HA   GLY  20          1HA       GLY  20  -7.096   6.582 -18.652
  160   2HA   GLY  20          2HA       GLY  20  -6.088   6.689 -20.083
  161    H    ASP  21           H        ASP  21  -4.188   4.700 -19.815
  162    HA   ASP  21           HA       ASP  21  -5.906   2.694 -20.773
  163   1HB   ASP  21          1HB       ASP  21  -2.879   2.808 -20.395
  164   2HB   ASP  21          2HB       ASP  21  -3.692   1.474 -21.189
  165    H    ASN  22           H        ASN  22  -7.029   1.618 -19.064
  166    HA   ASN  22           HA       ASN  22  -5.619   1.103 -16.641
  167   1HB   ASN  22          1HB       ASN  22  -7.878   0.080 -15.966
  168   2HB   ASN  22          2HB       ASN  22  -7.936   1.772 -16.417
  169   1HD2  ASN  22          1HD2      ASN  22  -9.990  -1.085 -18.442
  170   2HD2  ASN  22          2HD2      ASN  22  -8.798  -1.477 -17.248
  171    H    ASP  23           H        ASP  23  -4.232  -0.314 -18.508
  172    HA   ASP  23           HA       ASP  23  -5.454  -2.948 -18.643
  173   1HB   ASP  23          1HB       ASP  23  -4.772  -1.894 -20.798
  174   2HB   ASP  23          2HB       ASP  23  -3.131  -1.723 -20.206
  175    H    TYR  24           H        TYR  24  -2.225  -1.286 -18.258
  176    HA   TYR  24           HA       TYR  24  -1.003  -3.602 -17.136
  177   1HB   TYR  24          1HB       TYR  24  -0.272  -0.608 -17.095
  178   2HB   TYR  24          2HB       TYR  24   0.861  -1.921 -16.842
  179    HD1  TYR  24           HD1      TYR  24   0.938  -3.700 -18.853
  180    HD2  TYR  24           HD2      TYR  24  -0.365   0.360 -19.204
  181    HE1  TYR  24           HE1      TYR  24   1.427  -3.749 -21.347
  182    HE2  TYR  24           HE2      TYR  24   0.130   0.297 -21.696
  183    HH   TYR  24           HH       TYR  24   0.729  -0.921 -23.379
  184    H    CYS  25           H        CYS  25  -2.644  -0.687 -15.879
  185    HA   CYS  25           HA       CYS  25  -1.833  -0.888 -13.240
  186   1HB   CYS  25          1HB       CYS  25  -4.451   0.072 -14.408
  187   2HB   CYS  25          2HB       CYS  25  -3.987   0.273 -12.731
  188    H    LEU  26           H        LEU  26  -4.511  -2.458 -15.101
  189    HA   LEU  26           HA       LEU  26  -5.662  -3.765 -12.913
  190   1HB   LEU  26          1HB       LEU  26  -6.193  -3.430 -15.608
  191   2HB   LEU  26          2HB       LEU  26  -5.883  -5.150 -15.472
  192    HG   LEU  26           HG       LEU  26  -7.870  -3.663 -13.735
  193   1HD1  LEU  26          1HD1      LEU  26  -8.366  -5.231 -16.281
  194   2HD1  LEU  26          2HD1      LEU  26  -9.622  -4.620 -15.177
  195   3HD1  LEU  26          3HD1      LEU  26  -8.573  -3.478 -16.051
  196   1HD2  LEU  26          1HD2      LEU  26  -7.034  -5.732 -12.747
  197   2HD2  LEU  26          2HD2      LEU  26  -8.739  -5.897 -13.229
  198   3HD2  LEU  26          3HD2      LEU  26  -7.458  -6.626 -14.227
  199    H    ARG  27           H        ARG  27  -3.120  -4.758 -15.282
  200    HA   ARG  27           HA       ARG  27  -3.011  -7.376 -14.491
  201   1HB   ARG  27          1HB       ARG  27  -1.181  -5.467 -15.911
  202   2HB   ARG  27          2HB       ARG  27  -0.423  -6.917 -15.282
  203   1HG   ARG  27          1HG       ARG  27  -1.646  -8.344 -16.679
  204   2HG   ARG  27          2HG       ARG  27  -3.011  -7.251 -16.787
  205   1HD   ARG  27          1HD       ARG  27  -1.439  -5.664 -18.118
  206   2HD   ARG  27          2HD       ARG  27  -0.331  -7.017 -18.220
  207    HE   ARG  27           HE       ARG  27  -1.837  -8.151 -19.666
  208   1HH1  ARG  27          2HH1      ARG  27  -3.679  -5.672 -18.048
  209   2HH1  ARG  27          1HH1      ARG  27  -4.846  -5.519 -19.319
  210   1HH2  ARG  27          1HH2      ARG  27  -3.214  -7.741 -21.501
  211   2HH2  ARG  27          2HH2      ARG  27  -4.437  -6.520 -21.384
  212    H    GLU  28           H        GLU  28  -1.080  -4.505 -13.386
  213    HA   GLU  28           HA       GLU  28   0.611  -6.042 -11.780
  214   1HB   GLU  28          1HB       GLU  28  -0.017  -3.068 -11.892
  215   2HB   GLU  28          2HB       GLU  28   1.162  -3.722 -10.772
  216   1HG   GLU  28          1HG       GLU  28   1.254  -4.154 -13.796
  217   2HG   GLU  28          2HG       GLU  28   2.157  -2.909 -12.956
  218    H    CYS  29           H        CYS  29  -2.389  -4.142 -11.135
  219    HA   CYS  29           HA       CYS  29  -2.488  -4.451  -8.405
  220   1HB   CYS  29          1HB       CYS  29  -4.451  -3.992 -10.572
  221   2HB   CYS  29          2HB       CYS  29  -5.107  -4.637  -9.080
  222    H    LYS  30           H        LYS  30  -3.330  -6.680 -11.110
  223    HA   LYS  30           HA       LYS  30  -4.772  -8.488  -9.504
  224   1HB   LYS  30          1HB       LYS  30  -4.851  -8.106 -12.053
  225   2HB   LYS  30          2HB       LYS  30  -3.443  -9.147 -12.135
  226   1HG   LYS  30          1HG       LYS  30  -5.220 -10.677 -12.395
  227   2HG   LYS  30          2HG       LYS  30  -4.841 -10.825 -10.690
  228   1HD   LYS  30          1HD       LYS  30  -7.172 -10.583 -10.621
  229   2HD   LYS  30          2HD       LYS  30  -6.649  -8.931 -10.363
  230   1HE   LYS  30          1HE       LYS  30  -6.820  -8.624 -12.931
  231   2HE   LYS  30          2HE       LYS  30  -7.646 -10.170 -12.964
  232   1HZ   LYS  30          1HZ       LYS  30  -9.222  -9.234 -11.353
  233   2HZ   LYS  30          2HZ       LYS  30  -8.492  -7.780 -11.481
  234   3HZ   LYS  30          3HZ       LYS  30  -9.231  -8.439 -12.780
  235    H    GLN  31           H        GLN  31  -1.403  -8.565 -10.861
  236    HA   GLN  31           HA       GLN  31  -0.938 -10.867  -9.161
  237   1HB   GLN  31          1HB       GLN  31   0.730  -9.729 -11.449
  238   2HB   GLN  31          2HB       GLN  31   1.099 -11.198 -10.568
  239   1HG   GLN  31          1HG       GLN  31  -1.137 -12.142 -11.277
  240   2HG   GLN  31          2HG       GLN  31  -1.417 -10.696 -12.226
  241   1HE2  GLN  31          1HE2      GLN  31  -0.188 -12.923 -14.747
  242   2HE2  GLN  31          2HE2      GLN  31  -1.607 -12.477 -13.859
  243    H    GLN  32           H        GLN  32  -1.168  -8.417  -7.764
  244    HA   GLN  32           HA       GLN  32   1.173  -8.897  -6.299
  245   1HB   GLN  32          1HB       GLN  32   2.430  -7.004  -6.576
  246   2HB   GLN  32          2HB       GLN  32   1.646  -6.960  -8.142
  247   1HG   GLN  32          1HG       GLN  32   1.167  -4.804  -7.420
  248   2HG   GLN  32          2HG       GLN  32  -0.254  -5.629  -6.812
  249   1HE2  GLN  32          1HE2      GLN  32   1.061  -3.512  -4.100
  250   2HE2  GLN  32          2HE2      GLN  32   0.113  -3.452  -5.548
  251    H    TYR  33           H        TYR  33  -1.818  -6.960  -6.877
  252    HA   TYR  33           HA       TYR  33  -2.427  -7.790  -4.118
  253   1HB   TYR  33          1HB       TYR  33  -3.038  -5.387  -5.847
  254   2HB   TYR  33          2HB       TYR  33  -4.392  -5.977  -4.905
  255    HD1  TYR  33           HD1      TYR  33  -3.246  -6.765  -2.359
  256    HD2  TYR  33           HD2      TYR  33  -2.226  -3.448  -4.861
  257    HE1  TYR  33           HE1      TYR  33  -2.383  -5.492  -0.334
  258    HE2  TYR  33           HE2      TYR  33  -1.367  -2.187  -2.827
  259    HH   TYR  33           HH       TYR  33  -1.268  -2.149  -0.646
  260    H    GLY  34           H        GLY  34  -2.612  -9.880  -5.950
  261   1HA   GLY  34          1HA       GLY  34  -4.067 -11.466  -5.116
  262   2HA   GLY  34          2HA       GLY  34  -5.289 -10.239  -4.851
  263    H    LYS  35           H        LYS  35  -5.179 -12.956  -6.378
  264    HA   LYS  35           HA       LYS  35  -5.627 -12.233  -9.099
  265   1HB   LYS  35          1HB       LYS  35  -6.045 -14.782  -7.519
  266   2HB   LYS  35          2HB       LYS  35  -6.416 -14.644  -9.227
  267   1HG   LYS  35          1HG       LYS  35  -3.690 -13.786  -8.211
  268   2HG   LYS  35          2HG       LYS  35  -4.024 -15.488  -8.463
  269   1HD   LYS  35          1HD       LYS  35  -4.894 -13.774 -10.723
  270   2HD   LYS  35          2HD       LYS  35  -3.168 -13.705 -10.426
  271   1HE   LYS  35          1HE       LYS  35  -3.576 -15.522 -11.990
  272   2HE   LYS  35          2HE       LYS  35  -3.099 -16.234 -10.462
  273   1HZ   LYS  35          1HZ       LYS  35  -5.892 -15.876 -11.298
  274   2HZ   LYS  35          2HZ       LYS  35  -5.055 -17.268 -11.458
  275   3HZ   LYS  35          3HZ       LYS  35  -5.371 -16.672  -9.971
  276    H    GLY  36           H        GLY  36  -7.151 -10.396  -8.239
  277   1HA   GLY  36          1HA       GLY  36  -9.785 -11.232  -8.998
  278   2HA   GLY  36          2HA       GLY  36  -9.687 -10.816  -7.299
  279    H    ALA  37           H        ALA  37  -7.759  -8.676  -7.338
  280    HA   ALA  37           HA       ALA  37  -9.941  -6.878  -7.525
  281   1HB   ALA  37          1HB       ALA  37  -8.301  -6.958  -5.651
  282   2HB   ALA  37          2HB       ALA  37  -7.031  -6.395  -6.764
  283   3HB   ALA  37          3HB       ALA  37  -8.414  -5.340  -6.385
  284    H    GLY  38           H        GLY  38  -9.200  -4.446  -8.274
  285   1HA   GLY  38          1HA       GLY  38  -7.778  -4.481 -10.792
  286   2HA   GLY  38          2HA       GLY  38  -9.518  -4.341 -10.947
  287    H    GLY  39           H        GLY  39  -8.947  -2.100 -11.889
  288   1HA   GLY  39          1HA       GLY  39  -8.462   0.052 -10.177
  289   2HA   GLY  39          2HA       GLY  39  -6.910  -0.654 -10.582
  290    H    TYR  40           H        TYR  40  -7.052   1.813 -11.494
  291    HA   TYR  40           HA       TYR  40  -6.938   1.332 -14.321
  292   1HB   TYR  40          1HB       TYR  40  -8.371   3.601 -14.502
  293   2HB   TYR  40          2HB       TYR  40  -9.211   2.070 -14.356
  294    HD1  TYR  40           HD1      TYR  40  -7.835   4.835 -12.231
  295    HD2  TYR  40           HD2      TYR  40 -10.813   1.796 -12.680
  296    HE1  TYR  40           HE1      TYR  40  -9.016   5.674 -10.143
  297    HE2  TYR  40           HE2      TYR  40 -11.985   2.646 -10.590
  298    HH   TYR  40           HH       TYR  40 -11.873   3.989  -8.887
  299    H    CYS  41           H        CYS  41  -6.208   3.516 -15.449
  300    HA   CYS  41           HA       CYS  41  -3.956   4.301 -13.793
  301   1HB   CYS  41          1HB       CYS  41  -4.449   4.383 -16.769
  302   2HB   CYS  41          2HB       CYS  41  -3.072   5.164 -16.017
  303    H    TYR  42           H        TYR  42  -4.596   6.076 -12.526
  304    HA   TYR  42           HA       TYR  42  -5.913   8.312 -13.784
  305   1HB   TYR  42          1HB       TYR  42  -5.075   7.283 -11.144
  306   2HB   TYR  42          2HB       TYR  42  -4.570   8.954 -11.310
  307    HD1  TYR  42           HD1      TYR  42  -6.738  10.214 -12.802
  308    HD2  TYR  42           HD2      TYR  42  -6.929   7.231  -9.740
  309    HE1  TYR  42           HE1      TYR  42  -9.085  10.978 -12.193
  310    HE2  TYR  42           HE2      TYR  42  -9.275   8.005  -9.141
  311    HH   TYR  42           HH       TYR  42 -10.888   9.362  -9.588
  312    H    ALA  43           H        ALA  43  -4.553  10.512 -12.787
  313    HA   ALA  43           HA       ALA  43  -2.680  10.962 -14.756
  314   1HB   ALA  43          1HB       ALA  43  -3.048  12.286 -12.039
  315   2HB   ALA  43          2HB       ALA  43  -2.106  12.966 -13.388
  316   3HB   ALA  43          3HB       ALA  43  -3.863  12.734 -13.557
  317    H    PHE  44           H        PHE  44  -1.187   9.208 -14.883
  318    HA   PHE  44           HA       PHE  44   0.643   8.068 -14.396
  319   1HB   PHE  44          1HB       PHE  44   1.363  10.613 -12.829
  320   2HB   PHE  44          2HB       PHE  44   2.503   9.509 -13.572
  321    HD1  PHE  44           HD1      PHE  44   2.307   9.245 -16.164
  322    HD2  PHE  44           HD2      PHE  44   0.693  12.510 -13.985
  323    HE1  PHE  44           HE1      PHE  44   2.282  10.631 -18.257
  324    HE2  PHE  44           HE2      PHE  44   0.668  13.895 -16.079
  325    HZ   PHE  44           HZ       PHE  44   1.463  12.938 -18.190
  326    H    ALA  45           H        ALA  45  -1.481   7.502 -12.558
  327    HA   ALA  45           HA       ALA  45   0.285   6.047 -10.860
  328   1HB   ALA  45          1HB       ALA  45  -1.742   7.947  -9.612
  329   2HB   ALA  45          2HB       ALA  45  -0.846   6.683  -8.735
  330   3HB   ALA  45          3HB       ALA  45   0.030   8.047  -9.470
  331    H    CYS  46           H        CYS  46  -0.724   4.103 -10.091
  332    HA   CYS  46           HA       CYS  46  -3.076   3.536 -11.713
  333   1HB   CYS  46          1HB       CYS  46  -0.846   1.842 -10.619
  334   2HB   CYS  46          2HB       CYS  46  -2.362   1.111 -11.108
  335    H    TRP  47           H        TRP  47  -4.939   3.887 -10.523
  336    HA   TRP  47           HA       TRP  47  -4.854   3.479  -7.656
  337   1HB   TRP  47          1HB       TRP  47  -5.876   5.496  -8.459
  338   2HB   TRP  47          2HB       TRP  47  -6.942   4.604  -9.525
  339    HD1  TRP  47           HD1      TRP  47  -8.611   2.731  -7.951
  340    HE1  TRP  47           HE1      TRP  47 -10.053   3.254  -5.804
  341    HE3  TRP  47           HE3      TRP  47  -6.061   6.923  -6.617
  342    HZ2  TRP  47           HZ2      TRP  47  -9.967   5.315  -3.832
  343    HZ3  TRP  47           HZ3      TRP  47  -6.806   8.132  -4.567
  344    HH2  TRP  47           HH2      TRP  47  -8.686   7.391  -3.193
  345    H    CYS  48           H        CYS  48  -5.318   1.486  -6.805
  346    HA   CYS  48           HA       CYS  48  -6.975  -0.323  -8.334
  347   1HB   CYS  48          1HB       CYS  48  -4.917  -0.636  -6.452
  348   2HB   CYS  48          2HB       CYS  48  -6.368  -1.185  -5.636
  349    H    THR  49           H        THR  49  -9.072  -1.067  -7.540
  350    HA   THR  49           HA       THR  49 -10.300   0.600  -5.493
  351    HB   THR  49           HB       THR  49 -10.480   2.015  -7.481
  352    HG1  THR  49           HG1      THR  49 -12.421   1.493  -6.092
  353   1HG2  THR  49          1HG2      THR  49 -10.986  -0.607  -8.814
  354   2HG2  THR  49          2HG2      THR  49 -12.104   0.693  -9.291
  355   3HG2  THR  49          3HG2      THR  49 -10.350   0.905  -9.504
  356    H    HIS  50           H        HIS  50  -9.611  -2.246  -5.677
  357    HA   HIS  50           HA       HIS  50 -12.246  -2.994  -4.796
  358   1HB   HIS  50          1HB       HIS  50 -10.763  -4.617  -6.882
  359   2HB   HIS  50          2HB       HIS  50 -12.140  -5.199  -5.967
  360    HD1  HIS  50           HD1      HIS  50 -14.457  -3.792  -6.342
  361    HD2  HIS  50           HD2      HIS  50 -11.403  -3.194  -9.154
  362    HE1  HIS  50           HE1      HIS  50 -15.562  -2.731  -8.382
  363    H    LEU  51           H        LEU  51 -10.713  -2.429  -2.880
  364    HA   LEU  51           HA       LEU  51  -8.797  -4.616  -2.444
  365   1HB   LEU  51          1HB       LEU  51  -8.606  -1.724  -1.590
  366   2HB   LEU  51          2HB       LEU  51  -7.447  -2.982  -1.211
  367    HG   LEU  51           HG       LEU  51  -8.115  -2.223  -4.059
  368   1HD1  LEU  51          1HD1      LEU  51  -6.546  -0.731  -2.075
  369   2HD1  LEU  51          2HD1      LEU  51  -5.667  -1.083  -3.582
  370   3HD1  LEU  51          3HD1      LEU  51  -7.220  -0.216  -3.640
  371   1HD2  LEU  51          1HD2      LEU  51  -5.764  -3.662  -2.800
  372   2HD2  LEU  51          2HD2      LEU  51  -7.037  -4.372  -3.822
  373   3HD2  LEU  51          3HD2      LEU  51  -5.888  -3.202  -4.515
  374    H    TYR  52           H        TYR  52  -8.378  -5.103  -0.072
  375    HA   TYR  52           HA       TYR  52 -10.657  -4.309   1.603
  376   1HB   TYR  52          1HB       TYR  52  -9.075  -6.152   2.991
  377   2HB   TYR  52          2HB       TYR  52 -10.449  -6.606   2.001
  378    HD1  TYR  52           HD1      TYR  52  -6.760  -6.331   2.080
  379    HD2  TYR  52           HD2      TYR  52 -10.157  -7.731  -0.111
  380    HE1  TYR  52           HE1      TYR  52  -5.234  -7.698   0.576
  381    HE2  TYR  52           HE2      TYR  52  -8.619  -9.094  -1.609
  382    HH   TYR  52           HH       TYR  52  -6.590  -9.650  -2.070
  383    H    GLU  53           H        GLU  53  -9.723  -4.349   4.105
  384    HA   GLU  53           HA       GLU  53  -8.437  -1.896   4.201
  385   1HB   GLU  53          1HB       GLU  53  -8.986  -4.001   6.330
  386   2HB   GLU  53          2HB       GLU  53  -8.276  -2.446   6.711
  387   1HG   GLU  53          1HG       GLU  53 -10.247  -1.283   5.733
  388   2HG   GLU  53          2HG       GLU  53 -10.951  -2.823   5.284
  389    H    GLN  54           H        GLN  54  -7.228  -5.187   4.032
  390    HA   GLN  54           HA       GLN  54  -4.608  -4.324   4.893
  391   1HB   GLN  54          1HB       GLN  54  -5.856  -7.010   4.248
  392   2HB   GLN  54          2HB       GLN  54  -4.112  -6.847   4.332
  393   1HG   GLN  54          1HG       GLN  54  -4.290  -5.941   6.645
  394   2HG   GLN  54          2HG       GLN  54  -6.038  -6.040   6.565
  395   1HE2  GLN  54          1HE2      GLN  54  -4.793  -9.007   8.392
  396   2HE2  GLN  54          2HE2      GLN  54  -4.772  -7.285   8.569
  397    H    ALA  55           H        ALA  55  -5.963  -3.335   2.287
  398    HA   ALA  55           HA       ALA  55  -3.425  -3.772   0.880
  399   1HB   ALA  55          1HB       ALA  55  -5.542  -3.872  -0.447
  400   2HB   ALA  55          2HB       ALA  55  -5.888  -2.194   0.034
  401   3HB   ALA  55          3HB       ALA  55  -4.461  -2.556  -0.965
  402    H    ILE  56           H        ILE  56  -1.769  -2.438   1.476
  403    HA   ILE  56           HA       ILE  56  -2.384   0.211   2.460
  404    HB   ILE  56           HB       ILE  56   0.217  -1.207   1.875
  405   1HG1  ILE  56          1HG1      ILE  56  -0.911  -0.473   4.578
  406   2HG1  ILE  56          2HG1      ILE  56  -1.312  -1.991   3.798
  407   1HG2  ILE  56          1HG2      ILE  56  -0.317   1.537   3.035
  408   2HG2  ILE  56          2HG2      ILE  56   1.234   0.676   3.184
  409   3HG2  ILE  56          3HG2      ILE  56   0.617   1.126   1.576
  410   1HD1  ILE  56          1HD1      ILE  56   1.198  -2.417   3.540
  411   2HD1  ILE  56          2HD1      ILE  56   1.461  -0.997   4.581
  412   3HD1  ILE  56          3HD1      ILE  56   0.594  -2.418   5.214
  413    H    VAL  57           H        VAL  57  -1.781   2.175   1.357
  414    HA   VAL  57           HA       VAL  57  -1.367   1.786  -1.527
  415    HB   VAL  57           HB       VAL  57  -3.396   2.682  -1.723
  416   1HG1  VAL  57          1HG1      VAL  57  -3.141   3.785   1.095
  417   2HG1  VAL  57          2HG1      VAL  57  -4.603   3.884   0.083
  418   3HG1  VAL  57          3HG1      VAL  57  -3.985   2.297   0.603
  419   1HG2  VAL  57          1HG2      VAL  57  -1.945   4.544  -2.419
  420   2HG2  VAL  57          2HG2      VAL  57  -3.484   5.130  -1.745
  421   3HG2  VAL  57          3HG2      VAL  57  -1.999   5.204  -0.767
  422    H    TRP  58           H        TRP  58   0.007   3.427  -2.574
  423    HA   TRP  58           HA       TRP  58   2.339   3.264  -1.120
  424   1HB   TRP  58          1HB       TRP  58   2.372   3.243  -3.498
  425   2HB   TRP  58          2HB       TRP  58   1.625   4.825  -3.600
  426    HD1  TRP  58           HD1      TRP  58   5.032   3.188  -3.213
  427    HE1  TRP  58           HE1      TRP  58   6.988   4.958  -3.213
  428    HE3  TRP  58           HE3      TRP  58   2.034   7.278  -2.826
  429    HZ2  TRP  58           HZ2      TRP  58   7.060   7.807  -3.056
  430    HZ3  TRP  58           HZ3      TRP  58   3.128   9.517  -2.756
  431    HH2  TRP  58           HH2      TRP  58   5.551   9.819  -2.864
  432    HA   PRO  59           HA       PRO  59   4.048   4.007  -0.857
  433   1HB   PRO  59          1HB       PRO  59   5.798   4.686   1.128
  434   2HB   PRO  59          2HB       PRO  59   5.896   5.333  -0.497
  435   1HG   PRO  59          1HG       PRO  59   4.936   6.653   1.969
  436   2HG   PRO  59          2HG       PRO  59   5.438   7.383   0.456
  437   1HD   PRO  59          1HD       PRO  59   2.746   7.025   1.379
  438   2HD   PRO  59          2HD       PRO  59   3.245   7.649  -0.180
  439    H    LEU  60           H        LEU  60   5.350   2.496   1.006
  440    HA   LEU  60           HA       LEU  60   3.475   1.723   2.987
  441   1HB   LEU  60          1HB       LEU  60   6.472   1.434   2.770
  442   2HB   LEU  60          2HB       LEU  60   5.517   0.750   4.071
  443    HG   LEU  60           HG       LEU  60   5.555  -1.082   2.761
  444   1HD1  LEU  60          1HD1      LEU  60   3.191  -0.407   2.812
  445   2HD1  LEU  60          2HD1      LEU  60   3.406   0.442   1.264
  446   3HD1  LEU  60          3HD1      LEU  60   3.596  -1.325   1.343
  447   1HD2  LEU  60          1HD2      LEU  60   7.110   0.084   1.152
  448   2HD2  LEU  60          2HD2      LEU  60   6.078  -1.184   0.447
  449   3HD2  LEU  60          3HD2      LEU  60   5.671   0.532   0.205
  450    HA   PRO  61           HA       PRO  61   4.377   4.842   5.983
  451   1HB   PRO  61          1HB       PRO  61   3.778   3.503   8.288
  452   2HB   PRO  61          2HB       PRO  61   2.571   4.313   7.308
  453   1HG   PRO  61          1HG       PRO  61   3.121   1.418   7.554
  454   2HG   PRO  61          2HG       PRO  61   1.687   2.214   6.938
  455   1HD   PRO  61          1HD       PRO  61   3.753   0.960   5.392
  456   2HD   PRO  61          2HD       PRO  61   2.379   1.857   4.774
  457    H    ASN  62           H        ASN  62   5.618   1.590   6.704
  458    HA   ASN  62           HA       ASN  62   7.368   2.983   8.550
  459   1HB   ASN  62          1HB       ASN  62   7.559   0.737   9.667
  460   2HB   ASN  62          2HB       ASN  62   5.894   1.274   9.554
  461   1HD2  ASN  62          1HD2      ASN  62   6.582  -2.337   8.385
  462   2HD2  ASN  62          2HD2      ASN  62   7.220  -1.408   9.701
  463    H    LYS  63           H        LYS  63   7.486   1.997   5.433
  464    HA   LYS  63           HA       LYS  63  10.319   1.831   5.485
  465   1HB   LYS  63          1HB       LYS  63  10.465  -0.381   4.317
  466   2HB   LYS  63          2HB       LYS  63  10.034  -0.470   6.013
  467   1HG   LYS  63          1HG       LYS  63   7.766  -0.996   5.552
  468   2HG   LYS  63          2HG       LYS  63   7.838  -0.339   3.929
  469   1HD   LYS  63          1HD       LYS  63   9.519  -2.749   4.720
  470   2HD   LYS  63          2HD       LYS  63   7.853  -2.938   4.209
  471   1HE   LYS  63          1HE       LYS  63   8.398  -1.724   2.067
  472   2HE   LYS  63          2HE       LYS  63  10.071  -1.613   2.576
  473   1HZ   LYS  63          1HZ       LYS  63   9.939  -4.106   2.792
  474   2HZ   LYS  63          2HZ       LYS  63   8.549  -4.027   1.938
  475   3HZ   LYS  63          3HZ       LYS  63   9.947  -3.502   1.274
  476    H    ARG  64           H        ARG  64   8.920   3.840   4.468
  477    HA   ARG  64           HA       ARG  64   8.122   3.497   1.838
  478   1HB   ARG  64          1HB       ARG  64   8.501   5.995   1.675
  479   2HB   ARG  64          2HB       ARG  64   7.546   5.527   3.069
  480   1HG   ARG  64          1HG       ARG  64   9.208   6.093   4.583
  481   2HG   ARG  64          2HG       ARG  64  10.507   5.616   3.507
  482   1HD   ARG  64          1HD       ARG  64  10.125   7.668   2.128
  483   2HD   ARG  64          2HD       ARG  64   8.814   8.143   3.188
  484    HE   ARG  64           HE       ARG  64  10.393   8.935   4.712
  485   1HH1  ARG  64          2HH1      ARG  64  12.017   6.882   2.372
  486   2HH1  ARG  64          1HH1      ARG  64  13.540   6.921   3.194
  487   1HH2  ARG  64          1HH2      ARG  64  12.419   9.029   5.786
  488   2HH2  ARG  64          2HH2      ARG  64  13.800   8.259   5.076
  489    H    CYS  65           H        CYS  65   9.367   4.686  -0.068
  490    HA   CYS  65           HA       CYS  65  11.731   3.207  -0.399
  491   1HB   CYS  65          1HB       CYS  65   9.942   4.183  -2.105
  492   2HB   CYS  65          2HB       CYS  65  11.089   5.506  -2.191
  493    H    SER  66           H        SER  66  13.925   4.111  -0.793
  494    HA   SER  66           HA       SER  66  14.564   6.099   1.091
  495   1HB   SER  66          1HB       SER  66  16.883   5.829   0.198
  496   2HB   SER  66          2HB       SER  66  16.135   4.299   0.604
  497    HG   SER  66           HG       SER  66  16.308   5.443  -2.054
  498   1HN   NH2  67          1H        SER  66  13.378   7.929   0.447
  499   2HN   NH2  67          2H        SER  66  13.855   8.925  -0.888
   
  No H/Q in entry =         499
  Start of MODEL    9
    1   1H    LYS   1          1H        LYS   1 -10.383  -0.606   0.717
    2   2H    LYS   1          2H        LYS   1 -11.315  -0.180   2.017
    3   3H    LYS   1          3H        LYS   1 -11.444   0.659   0.596
    4    HA   LYS   1           HA       LYS   1 -10.255   2.011   1.960
    5   1HB   LYS   1          1HB       LYS   1  -9.785   0.066   3.561
    6   2HB   LYS   1          2HB       LYS   1  -8.360  -0.257   2.594
    7   1HG   LYS   1          1HG       LYS   1  -7.699   2.201   2.932
    8   2HG   LYS   1          2HG       LYS   1  -9.013   2.323   4.085
    9   1HD   LYS   1          1HD       LYS   1  -7.280   1.763   5.532
   10   2HD   LYS   1          2HD       LYS   1  -7.874   0.158   5.155
   11   1HE   LYS   1          1HE       LYS   1  -6.150   0.182   3.190
   12   2HE   LYS   1          2HE       LYS   1  -5.440   1.569   3.992
   13   1HZ   LYS   1          1HZ       LYS   1  -5.879  -1.039   5.274
   14   2HZ   LYS   1          2HZ       LYS   1  -4.451  -0.525   4.673
   15   3HZ   LYS   1          3HZ       LYS   1  -5.127   0.247   5.943
   16    H    GLU   2           H        GLU   2 -10.209   2.596  -0.438
   17    HA   GLU   2           HA       GLU   2  -8.231   1.066  -1.885
   18   1HB   GLU   2          1HB       GLU   2 -10.366   2.937  -2.994
   19   2HB   GLU   2          2HB       GLU   2  -9.440   1.751  -3.893
   20   1HG   GLU   2          1HG       GLU   2 -11.542   1.219  -1.752
   21   2HG   GLU   2          2HG       GLU   2 -11.615   0.779  -3.447
   22    H    GLY   3           H        GLY   3  -6.878   2.200  -3.576
   23   1HA   GLY   3          1HA       GLY   3  -6.481   4.929  -3.720
   24   2HA   GLY   3          2HA       GLY   3  -5.498   4.381  -2.378
   25    H    TYR   4           H        TYR   4  -3.751   5.217  -3.951
   26    HA   TYR   4           HA       TYR   4  -3.138   3.516  -6.169
   27   1HB   TYR   4          1HB       TYR   4  -1.503   5.542  -4.519
   28   2HB   TYR   4          2HB       TYR   4  -1.068   4.980  -6.120
   29    HD1  TYR   4           HD1      TYR   4  -2.922   5.394  -7.990
   30    HD2  TYR   4           HD2      TYR   4  -2.638   7.563  -4.314
   31    HE1  TYR   4           HE1      TYR   4  -4.236   7.314  -9.014
   32    HE2  TYR   4           HE2      TYR   4  -3.953   9.476  -5.350
   33    HH   TYR   4           HH       TYR   4  -5.034  10.186  -7.078
   34    H    LEU   5           H        LEU   5  -2.596   1.409  -5.765
   35    HA   LEU   5           HA       LEU   5  -1.553   0.444  -3.414
   36   1HB   LEU   5          1HB       LEU   5  -1.335  -1.564  -4.500
   37   2HB   LEU   5          2HB       LEU   5  -2.578  -0.753  -5.432
   38    HG   LEU   5           HG       LEU   5   0.339  -0.827  -6.240
   39   1HD1  LEU   5          1HD1      LEU   5  -1.928  -2.704  -6.902
   40   2HD1  LEU   5          2HD1      LEU   5  -0.519  -2.504  -7.970
   41   3HD1  LEU   5          3HD1      LEU   5  -0.296  -3.084  -6.302
   42   1HD2  LEU   5          1HD2      LEU   5  -2.179   0.040  -7.675
   43   2HD2  LEU   5          2HD2      LEU   5  -0.760   1.026  -7.254
   44   3HD2  LEU   5          3HD2      LEU   5  -0.622  -0.248  -8.489
   45    H    VAL   6           H        VAL   6   0.551  -0.073  -2.665
   46    HA   VAL   6           HA       VAL   6   2.638   1.489  -4.018
   47    HB   VAL   6           HB       VAL   6   1.903   2.187  -1.729
   48   1HG1  VAL   6          1HG1      VAL   6   1.457  -0.035  -0.790
   49   2HG1  VAL   6          2HG1      VAL   6   3.188  -0.437  -0.897
   50   3HG1  VAL   6          3HG1      VAL   6   2.640   0.853   0.201
   51   1HG2  VAL   6          1HG2      VAL   6   4.258   2.472  -2.811
   52   2HG2  VAL   6          2HG2      VAL   6   4.051   2.808  -1.075
   53   3HG2  VAL   6          3HG2      VAL   6   4.770   1.268  -1.604
   54    H    ASP   7           H        ASP   7   4.820   0.556  -4.059
   55    HA   ASP   7           HA       ASP   7   4.641  -2.255  -4.539
   56   1HB   ASP   7          1HB       ASP   7   5.915  -0.661  -6.023
   57   2HB   ASP   7          2HB       ASP   7   7.025  -0.352  -4.703
   58    H    LYS   8           H        LYS   8   6.214  -3.813  -3.502
   59    HA   LYS   8           HA       LYS   8   7.190  -2.848  -0.911
   60   1HB   LYS   8          1HB       LYS   8   5.772  -5.182  -1.664
   61   2HB   LYS   8          2HB       LYS   8   7.396  -5.706  -1.266
   62   1HG   LYS   8          1HG       LYS   8   5.806  -3.822   0.530
   63   2HG   LYS   8          2HG       LYS   8   5.717  -5.566   0.691
   64   1HD   LYS   8          1HD       LYS   8   8.256  -5.598   0.941
   65   2HD   LYS   8          2HD       LYS   8   8.227  -3.846   0.963
   66   1HE   LYS   8          1HE       LYS   8   6.779  -3.856   2.973
   67   2HE   LYS   8          2HE       LYS   8   6.672  -5.605   2.922
   68   1HZ   LYS   8          1HZ       LYS   8   9.158  -4.077   3.285
   69   2HZ   LYS   8          2HZ       LYS   8   8.343  -4.860   4.465
   70   3HZ   LYS   8          3HZ       LYS   8   9.045  -5.707   3.257
   71    H    ASN   9           H        ASN   9   8.087  -4.058  -4.113
   72    HA   ASN   9           HA       ASN   9  10.459  -5.255  -3.432
   73   1HB   ASN   9          1HB       ASN   9   9.079  -4.385  -5.869
   74   2HB   ASN   9          2HB       ASN   9  10.803  -4.103  -6.026
   75   1HD2  ASN   9          1HD2      ASN   9  11.213  -7.379  -7.083
   76   2HD2  ASN   9          2HD2      ASN   9  11.310  -5.682  -7.418
   77    H    THR  10           H        THR  10  10.057  -2.083  -5.201
   78    HA   THR  10           HA       THR  10  12.568  -1.129  -4.112
   79    HB   THR  10           HB       THR  10  11.962   0.851  -5.609
   80    HG1  THR  10           HG1      THR  10  10.009   0.319  -6.950
   81   1HG2  THR  10          1HG2      THR  10  13.168  -1.223  -6.538
   82   2HG2  THR  10          2HG2      THR  10  11.570  -1.827  -7.035
   83   3HG2  THR  10          3HG2      THR  10  12.207  -0.320  -7.732
   84    H    GLY  11           H        GLY  11   9.119  -0.924  -3.432
   85   1HA   GLY  11          1HA       GLY  11   8.071   0.045  -1.666
   86   2HA   GLY  11          2HA       GLY  11   9.606   0.655  -1.078
   87    H    CYS  12           H        CYS  12   8.706   1.248  -4.458
   88    HA   CYS  12           HA       CYS  12   8.802   4.078  -3.742
   89   1HB   CYS  12          1HB       CYS  12  10.066   2.479  -5.796
   90   2HB   CYS  12          2HB       CYS  12   9.154   3.792  -6.515
   91    H    LYS  13           H        LYS  13   7.450   5.533  -5.285
   92    HA   LYS  13           HA       LYS  13   4.829   4.658  -5.658
   93   1HB   LYS  13          1HB       LYS  13   5.676   7.033  -5.531
   94   2HB   LYS  13          2HB       LYS  13   6.256   6.858  -7.175
   95   1HG   LYS  13          1HG       LYS  13   3.722   5.966  -7.553
   96   2HG   LYS  13          2HG       LYS  13   3.428   6.986  -6.159
   97   1HD   LYS  13          1HD       LYS  13   4.384   8.936  -7.305
   98   2HD   LYS  13          2HD       LYS  13   4.903   7.945  -8.654
   99   1HE   LYS  13          1HE       LYS  13   2.480   7.358  -9.102
  100   2HE   LYS  13          2HE       LYS  13   2.009   8.455  -7.818
  101   1HZ   LYS  13          1HZ       LYS  13   3.687   9.353 -10.041
  102   2HZ   LYS  13          2HZ       LYS  13   2.057   9.356 -10.147
  103   3HZ   LYS  13          3HZ       LYS  13   2.804  10.261  -9.011
  104    H    TYR  14           H        TYR  14   3.763   3.622  -7.318
  105    HA   TYR  14           HA       TYR  14   5.183   1.985  -9.039
  106   1HB   TYR  14          1HB       TYR  14   2.414   3.049  -8.573
  107   2HB   TYR  14          2HB       TYR  14   2.678   2.517 -10.222
  108    HD1  TYR  14           HD1      TYR  14   3.791   1.160  -6.897
  109    HD2  TYR  14           HD2      TYR  14   1.693   0.445 -10.557
  110    HE1  TYR  14           HE1      TYR  14   3.369  -1.246  -6.193
  111    HE2  TYR  14           HE2      TYR  14   1.277  -1.959  -9.840
  112    HH   TYR  14           HH       TYR  14   2.465  -3.135  -6.700
  113    H    GLU  15           H        GLU  15   3.685   5.232  -9.608
  114    HA   GLU  15           HA       GLU  15   3.861   6.656 -11.237
  115   1HB   GLU  15          1HB       GLU  15   6.404   6.126 -10.733
  116   2HB   GLU  15          2HB       GLU  15   6.373   5.349 -12.303
  117   1HG   GLU  15          1HG       GLU  15   7.049   7.601 -12.741
  118   2HG   GLU  15          2HG       GLU  15   5.371   7.526 -13.239
  119    H    CYS  16           H        CYS  16   1.925   5.668 -12.194
  120    HA   CYS  16           HA       CYS  16   2.155   3.479 -13.938
  121   1HB   CYS  16          1HB       CYS  16   0.116   4.140 -12.649
  122   2HB   CYS  16          2HB       CYS  16  -0.100   5.485 -13.753
  123    H    LEU  17           H        LEU  17   1.641   3.556 -16.325
  124    HA   LEU  17           HA       LEU  17   3.266   5.508 -17.577
  125   1HB   LEU  17          1HB       LEU  17   2.781   4.335 -19.596
  126   2HB   LEU  17          2HB       LEU  17   3.101   3.182 -18.317
  127    HG   LEU  17           HG       LEU  17   0.262   3.695 -18.471
  128   1HD1  LEU  17          1HD1      LEU  17   1.602   2.895 -21.066
  129   2HD1  LEU  17          2HD1      LEU  17  -0.129   2.682 -20.712
  130   3HD1  LEU  17          3HD1      LEU  17   0.573   4.316 -20.769
  131   1HD2  LEU  17          1HD2      LEU  17   1.363   1.733 -17.442
  132   2HD2  LEU  17          2HD2      LEU  17   0.130   1.288 -18.646
  133   3HD2  LEU  17          3HD2      LEU  17   1.857   1.188 -19.063
  134    H    LYS  18           H        LYS  18   1.964   6.233 -19.920
  135    HA   LYS  18           HA       LYS  18   0.518   8.426 -19.426
  136   1HB   LYS  18          1HB       LYS  18   1.176   7.975 -21.642
  137   2HB   LYS  18          2HB       LYS  18   0.358   6.425 -21.678
  138   1HG   LYS  18          1HG       LYS  18  -1.433   8.727 -21.083
  139   2HG   LYS  18          2HG       LYS  18  -0.689   8.792 -22.668
  140   1HD   LYS  18          1HD       LYS  18  -1.483   6.439 -23.108
  141   2HD   LYS  18          2HD       LYS  18  -2.280   6.436 -21.547
  142   1HE   LYS  18          1HE       LYS  18  -3.619   8.464 -22.285
  143   2HE   LYS  18          2HE       LYS  18  -2.888   8.325 -23.871
  144   1HZ   LYS  18          1HZ       LYS  18  -4.416   6.174 -22.578
  145   2HZ   LYS  18          2HZ       LYS  18  -5.032   7.207 -23.683
  146   3HZ   LYS  18          3HZ       LYS  18  -3.843   6.172 -24.107
  147    H    LEU  19           H        LEU  19  -1.479   8.998 -18.661
  148    HA   LEU  19           HA       LEU  19  -2.784   6.993 -17.163
  149   1HB   LEU  19          1HB       LEU  19  -4.166   8.754 -16.361
  150   2HB   LEU  19          2HB       LEU  19  -2.509   9.321 -16.443
  151    HG   LEU  19           HG       LEU  19  -3.698  10.035 -18.909
  152   1HD1  LEU  19          1HD1      LEU  19  -5.894   9.659 -17.905
  153   2HD1  LEU  19          2HD1      LEU  19  -5.480  10.757 -16.567
  154   3HD1  LEU  19          3HD1      LEU  19  -5.618  11.388 -18.225
  155   1HD2  LEU  19          1HD2      LEU  19  -1.908  11.229 -17.710
  156   2HD2  LEU  19          2HD2      LEU  19  -3.249  12.304 -18.175
  157   3HD2  LEU  19          3HD2      LEU  19  -3.092  11.755 -16.489
  158    H    GLY  20           H        GLY  20  -5.130   6.463 -17.290
  159   1HA   GLY  20          1HA       GLY  20  -7.129   6.349 -18.515
  160   2HA   GLY  20          2HA       GLY  20  -6.266   6.752 -19.985
  161    H    ASP  21           H        ASP  21  -4.014   4.919 -19.658
  162    HA   ASP  21           HA       ASP  21  -5.331   2.764 -20.904
  163   1HB   ASP  21          1HB       ASP  21  -2.411   3.144 -20.090
  164   2HB   ASP  21          2HB       ASP  21  -2.984   1.849 -21.122
  165    H    ASN  22           H        ASN  22  -6.566   1.599 -19.296
  166    HA   ASN  22           HA       ASN  22  -5.245   1.125 -16.780
  167   1HB   ASN  22          1HB       ASN  22  -7.587   0.280 -16.122
  168   2HB   ASN  22          2HB       ASN  22  -7.502   1.973 -16.571
  169   1HD2  ASN  22          1HD2      ASN  22  -9.358   1.735 -19.546
  170   2HD2  ASN  22          2HD2      ASN  22  -8.249   2.662 -18.591
  171    H    ASP  23           H        ASP  23  -3.970  -0.405 -18.647
  172    HA   ASP  23           HA       ASP  23  -5.356  -2.957 -18.710
  173   1HB   ASP  23          1HB       ASP  23  -4.605  -2.127 -20.893
  174   2HB   ASP  23          2HB       ASP  23  -2.984  -1.855 -20.283
  175    H    TYR  24           H        TYR  24  -2.023  -1.515 -18.314
  176    HA   TYR  24           HA       TYR  24  -0.977  -3.897 -17.161
  177   1HB   TYR  24          1HB       TYR  24  -0.127  -0.944 -17.374
  178   2HB   TYR  24          2HB       TYR  24   0.939  -2.172 -16.717
  179    HD1  TYR  24           HD1      TYR  24   1.792  -4.006 -18.197
  180    HD2  TYR  24           HD2      TYR  24  -0.446  -0.704 -19.742
  181    HE1  TYR  24           HE1      TYR  24   2.617  -4.536 -20.543
  182    HE2  TYR  24           HE2      TYR  24   0.387  -1.245 -22.083
  183    HH   TYR  24           HH       TYR  24   2.633  -3.948 -22.617
  184    H    CYS  25           H        CYS  25  -2.371  -0.840 -15.917
  185    HA   CYS  25           HA       CYS  25  -1.737  -1.146 -13.255
  186   1HB   CYS  25          1HB       CYS  25  -2.835   0.825 -14.208
  187   2HB   CYS  25          2HB       CYS  25  -4.297  -0.101 -14.481
  188    H    LEU  26           H        LEU  26  -4.588  -2.392 -15.147
  189    HA   LEU  26           HA       LEU  26  -5.789  -3.718 -13.030
  190   1HB   LEU  26          1HB       LEU  26  -6.322  -3.232 -15.687
  191   2HB   LEU  26          2HB       LEU  26  -6.116  -4.971 -15.657
  192    HG   LEU  26           HG       LEU  26  -8.002  -3.461 -13.829
  193   1HD1  LEU  26          1HD1      LEU  26  -8.601  -4.904 -16.426
  194   2HD1  LEU  26          2HD1      LEU  26  -9.812  -4.261 -15.291
  195   3HD1  LEU  26          3HD1      LEU  26  -8.705  -3.151 -16.134
  196   1HD2  LEU  26          1HD2      LEU  26  -7.708  -6.418 -14.426
  197   2HD2  LEU  26          2HD2      LEU  26  -7.305  -5.590 -12.903
  198   3HD2  LEU  26          3HD2      LEU  26  -8.998  -5.685 -13.443
  199    H    ARG  27           H        ARG  27  -3.384  -4.877 -15.474
  200    HA   ARG  27           HA       ARG  27  -3.491  -7.507 -14.787
  201   1HB   ARG  27          1HB       ARG  27  -1.356  -5.722 -15.979
  202   2HB   ARG  27          2HB       ARG  27  -0.922  -7.368 -15.564
  203   1HG   ARG  27          1HG       ARG  27  -3.220  -7.912 -16.875
  204   2HG   ARG  27          2HG       ARG  27  -2.862  -6.381 -17.646
  205   1HD   ARG  27          1HD       ARG  27  -0.409  -7.457 -17.884
  206   2HD   ARG  27          2HD       ARG  27  -1.294  -8.961 -17.732
  207    HE   ARG  27           HE       ARG  27  -2.193  -8.625 -19.868
  208   1HH1  ARG  27          2HH1      ARG  27  -0.746  -5.629 -18.724
  209   2HH1  ARG  27          1HH1      ARG  27  -1.069  -4.764 -20.189
  210   1HH2  ARG  27          1HH2      ARG  27  -2.555  -7.503 -21.828
  211   2HH2  ARG  27          2HH2      ARG  27  -2.179  -5.815 -21.938
  212    H    GLU  28           H        GLU  28  -1.345  -4.874 -13.499
  213    HA   GLU  28           HA       GLU  28   0.212  -6.617 -11.987
  214   1HB   GLU  28          1HB       GLU  28   0.612  -4.131 -12.790
  215   2HB   GLU  28          2HB       GLU  28  -0.148  -3.698 -11.271
  216   1HG   GLU  28          1HG       GLU  28   2.200  -3.794 -10.801
  217   2HG   GLU  28          2HG       GLU  28   1.527  -5.255 -10.105
  218    H    CYS  29           H        CYS  29  -2.572  -4.458 -11.141
  219    HA   CYS  29           HA       CYS  29  -2.615  -4.922  -8.440
  220   1HB   CYS  29          1HB       CYS  29  -4.043  -3.370  -9.984
  221   2HB   CYS  29          2HB       CYS  29  -5.163  -4.717 -10.013
  222    H    LYS  30           H        LYS  30  -3.908  -6.844 -11.206
  223    HA   LYS  30           HA       LYS  30  -5.424  -8.591  -9.592
  224   1HB   LYS  30          1HB       LYS  30  -5.662  -8.013 -12.097
  225   2HB   LYS  30          2HB       LYS  30  -4.407  -9.205 -12.368
  226   1HG   LYS  30          1HG       LYS  30  -5.744 -10.994 -11.623
  227   2HG   LYS  30          2HG       LYS  30  -6.749  -9.969 -10.619
  228   1HD   LYS  30          1HD       LYS  30  -6.772  -9.593 -13.627
  229   2HD   LYS  30          2HD       LYS  30  -7.690 -10.907 -12.915
  230   1HE   LYS  30          1HE       LYS  30  -8.864  -9.258 -11.421
  231   2HE   LYS  30          2HE       LYS  30  -7.969  -7.954 -12.176
  232   1HZ   LYS  30          1HZ       LYS  30  -8.942  -8.622 -14.291
  233   2HZ   LYS  30          2HZ       LYS  30  -9.820  -9.780 -13.544
  234   3HZ   LYS  30          3HZ       LYS  30 -10.089  -8.206 -13.204
  235    H    GLN  31           H        GLN  31  -2.198  -8.900 -11.226
  236    HA   GLN  31           HA       GLN  31  -1.833 -11.346  -9.709
  237   1HB   GLN  31          1HB       GLN  31  -0.258 -10.221 -12.067
  238   2HB   GLN  31          2HB       GLN  31   0.061 -11.760 -11.294
  239   1HG   GLN  31          1HG       GLN  31  -2.269 -12.514 -11.863
  240   2HG   GLN  31          2HG       GLN  31  -2.555 -10.986 -12.669
  241   1HE2  GLN  31          1HE2      GLN  31  -1.719 -13.131 -15.431
  242   2HE2  GLN  31          2HE2      GLN  31  -3.010 -12.722 -14.352
  243    H    GLN  32           H        GLN  32  -1.719  -9.017  -8.134
  244    HA   GLN  32           HA       GLN  32   0.710  -9.803  -6.955
  245   1HB   GLN  32          1HB       GLN  32   2.007  -7.882  -7.041
  246   2HB   GLN  32          2HB       GLN  32   1.240  -7.795  -8.614
  247   1HG   GLN  32          1HG       GLN  32   0.793  -5.644  -7.855
  248   2HG   GLN  32          2HG       GLN  32  -0.649  -6.455  -7.279
  249   1HE2  GLN  32          1HE2      GLN  32   2.395  -5.403  -4.664
  250   2HE2  GLN  32          2HE2      GLN  32   2.683  -5.649  -6.353
  251    H    TYR  33           H        TYR  33  -2.167  -7.676  -7.076
  252    HA   TYR  33           HA       TYR  33  -2.416  -8.119  -4.176
  253   1HB   TYR  33          1HB       TYR  33  -2.530  -5.779  -5.891
  254   2HB   TYR  33          2HB       TYR  33  -4.172  -6.084  -5.363
  255    HD1  TYR  33           HD1      TYR  33  -3.893  -7.010  -2.617
  256    HD2  TYR  33           HD2      TYR  33  -1.698  -3.976  -4.684
  257    HE1  TYR  33           HE1      TYR  33  -3.390  -5.860  -0.407
  258    HE2  TYR  33           HE2      TYR  33  -1.202  -2.835  -2.467
  259    HH   TYR  33           HH       TYR  33  -2.120  -4.342   0.580
  260    H    GLY  34           H        GLY  34  -3.197  -9.995  -6.434
  261   1HA   GLY  34          1HA       GLY  34  -4.580 -11.665  -5.469
  262   2HA   GLY  34          2HA       GLY  34  -5.724 -10.431  -4.978
  263    H    LYS  35           H        LYS  35  -5.887 -12.950  -6.798
  264    HA   LYS  35           HA       LYS  35  -6.067 -11.873  -9.447
  265   1HB   LYS  35          1HB       LYS  35  -6.590 -14.636  -8.315
  266   2HB   LYS  35          2HB       LYS  35  -6.678 -14.236 -10.019
  267   1HG   LYS  35          1HG       LYS  35  -4.273 -13.339  -9.816
  268   2HG   LYS  35          2HG       LYS  35  -4.227 -14.042  -8.212
  269   1HD   LYS  35          1HD       LYS  35  -4.914 -15.650 -10.714
  270   2HD   LYS  35          2HD       LYS  35  -3.283 -15.511 -10.086
  271   1HE   LYS  35          1HE       LYS  35  -4.149 -16.405  -7.855
  272   2HE   LYS  35          2HE       LYS  35  -5.693 -16.697  -8.631
  273   1HZ   LYS  35          1HZ       LYS  35  -4.551 -18.112 -10.213
  274   2HZ   LYS  35          2HZ       LYS  35  -3.123 -17.854  -9.465
  275   3HZ   LYS  35          3HZ       LYS  35  -4.322 -18.644  -8.686
  276    H    GLY  36           H        GLY  36  -7.730 -10.210  -8.553
  277   1HA   GLY  36          1HA       GLY  36 -10.296 -10.883  -9.493
  278   2HA   GLY  36          2HA       GLY  36 -10.286 -11.011  -7.745
  279    H    ALA  37           H        ALA  37  -8.334  -8.950  -7.151
  280    HA   ALA  37           HA       ALA  37  -9.970  -6.687  -7.164
  281   1HB   ALA  37          1HB       ALA  37  -8.171  -7.177  -5.522
  282   2HB   ALA  37          2HB       ALA  37  -6.955  -6.913  -6.795
  283   3HB   ALA  37          3HB       ALA  37  -7.986  -5.565  -6.256
  284    H    GLY  38           H        GLY  38  -9.018  -4.471  -8.064
  285   1HA   GLY  38          1HA       GLY  38  -7.843  -4.707 -10.696
  286   2HA   GLY  38          2HA       GLY  38  -9.558  -4.342 -10.702
  287    H    GLY  39           H        GLY  39  -8.834  -2.244 -11.731
  288   1HA   GLY  39          1HA       GLY  39  -8.419  -0.039 -10.133
  289   2HA   GLY  39          2HA       GLY  39  -6.824  -0.703 -10.422
  290    H    TYR  40           H        TYR  40  -6.924   1.680 -11.476
  291    HA   TYR  40           HA       TYR  40  -6.655   1.033 -14.256
  292   1HB   TYR  40          1HB       TYR  40  -8.071   3.317 -14.613
  293   2HB   TYR  40          2HB       TYR  40  -8.899   1.775 -14.518
  294    HD1  TYR  40           HD1      TYR  40  -7.716   4.551 -12.287
  295    HD2  TYR  40           HD2      TYR  40 -10.661   1.533 -13.013
  296    HE1  TYR  40           HE1      TYR  40  -9.080   5.398 -10.316
  297    HE2  TYR  40           HE2      TYR  40 -12.015   2.390 -11.039
  298    HH   TYR  40           HH       TYR  40 -12.136   3.812  -9.426
  299    H    CYS  41           H        CYS  41  -5.809   3.094 -15.475
  300    HA   CYS  41           HA       CYS  41  -3.633   3.928 -13.769
  301   1HB   CYS  41          1HB       CYS  41  -3.294   2.888 -16.032
  302   2HB   CYS  41          2HB       CYS  41  -3.970   4.338 -16.746
  303    H    TYR  42           H        TYR  42  -4.309   5.690 -12.508
  304    HA   TYR  42           HA       TYR  42  -5.713   7.881 -13.744
  305   1HB   TYR  42          1HB       TYR  42  -5.066   6.790 -11.139
  306   2HB   TYR  42          2HB       TYR  42  -4.339   8.384 -11.187
  307    HD1  TYR  42           HD1      TYR  42  -7.601   6.856 -12.277
  308    HD2  TYR  42           HD2      TYR  42  -5.623  10.053 -10.236
  309    HE1  TYR  42           HE1      TYR  42  -9.850   7.904 -11.725
  310    HE2  TYR  42           HE2      TYR  42  -7.880  11.091  -9.691
  311    HH   TYR  42           HH       TYR  42 -10.889   9.514 -10.739
  312    H    ALA  43           H        ALA  43  -4.426  10.086 -12.518
  313    HA   ALA  43           HA       ALA  43  -2.600  10.776 -14.464
  314   1HB   ALA  43          1HB       ALA  43  -2.966  11.831 -11.631
  315   2HB   ALA  43          2HB       ALA  43  -2.065  12.663 -12.921
  316   3HB   ALA  43          3HB       ALA  43  -3.816  12.392 -13.091
  317    H    PHE  44           H        PHE  44  -1.097   9.025 -14.742
  318    HA   PHE  44           HA       PHE  44   0.677   7.770 -14.300
  319   1HB   PHE  44          1HB       PHE  44   1.542  10.292 -12.766
  320   2HB   PHE  44          2HB       PHE  44   2.618   9.145 -13.541
  321    HD1  PHE  44           HD1      PHE  44   2.299   8.869 -16.129
  322    HD2  PHE  44           HD2      PHE  44   0.928  12.213 -13.906
  323    HE1  PHE  44           HE1      PHE  44   2.254  10.244 -18.227
  324    HE2  PHE  44           HE2      PHE  44   0.882  13.589 -16.005
  325    HZ   PHE  44           HZ       PHE  44   1.545  12.588 -18.141
  326    H    ALA  45           H        ALA  45  -1.371   7.232 -12.416
  327    HA   ALA  45           HA       ALA  45   0.373   5.882 -10.598
  328   1HB   ALA  45          1HB       ALA  45   0.032   8.009  -9.386
  329   2HB   ALA  45          2HB       ALA  45  -1.731   7.792  -9.501
  330   3HB   ALA  45          3HB       ALA  45  -0.755   6.652  -8.544
  331    H    CYS  46           H        CYS  46  -0.548   3.915  -9.927
  332    HA   CYS  46           HA       CYS  46  -2.867   3.250 -11.521
  333   1HB   CYS  46          1HB       CYS  46  -1.039   1.780 -11.807
  334   2HB   CYS  46          2HB       CYS  46  -0.784   1.618 -10.080
  335    H    TRP  47           H        TRP  47  -4.768   3.825 -10.466
  336    HA   TRP  47           HA       TRP  47  -4.918   3.587  -7.593
  337   1HB   TRP  47          1HB       TRP  47  -5.870   5.537  -8.612
  338   2HB   TRP  47          2HB       TRP  47  -6.850   4.567  -9.696
  339    HD1  TRP  47           HD1      TRP  47  -8.855   3.035  -8.365
  340    HE1  TRP  47           HE1      TRP  47 -10.385   3.617  -6.297
  341    HE3  TRP  47           HE3      TRP  47  -5.910   6.773  -6.574
  342    HZ2  TRP  47           HZ2      TRP  47 -10.197   5.534  -4.191
  343    HZ3  TRP  47           HZ3      TRP  47  -6.656   7.949  -4.506
  344    HH2  TRP  47           HH2      TRP  47  -8.720   7.384  -3.323
  345    H    CYS  48           H        CYS  48  -5.329   1.612  -6.694
  346    HA   CYS  48           HA       CYS  48  -6.837  -0.304  -8.273
  347   1HB   CYS  48          1HB       CYS  48  -5.080  -0.508  -5.846
  348   2HB   CYS  48          2HB       CYS  48  -6.229  -1.780  -6.213
  349    H    THR  49           H        THR  49  -8.761  -1.386  -7.257
  350    HA   THR  49           HA       THR  49 -10.155   0.209  -5.305
  351    HB   THR  49           HB       THR  49 -10.150   1.705  -7.310
  352    HG1  THR  49           HG1      THR  49 -12.462   1.882  -7.207
  353   1HG2  THR  49          1HG2      THR  49 -10.249  -0.547  -8.867
  354   2HG2  THR  49          2HG2      THR  49 -11.985  -0.170  -8.766
  355   3HG2  THR  49          3HG2      THR  49 -10.849   1.034  -9.422
  356    H    HIS  50           H        HIS  50  -9.467  -2.564  -5.431
  357    HA   HIS  50           HA       HIS  50 -12.077  -3.267  -4.608
  358   1HB   HIS  50          1HB       HIS  50 -11.045  -4.369  -7.166
  359   2HB   HIS  50          2HB       HIS  50 -11.748  -5.531  -6.057
  360    HD1  HIS  50           HD1      HIS  50 -14.219  -4.361  -4.987
  361    HD2  HIS  50           HD2      HIS  50 -12.958  -3.520  -8.898
  362    HE1  HIS  50           HE1      HIS  50 -16.296  -3.598  -6.260
  363    H    LEU  51           H        LEU  51 -10.258  -2.932  -2.845
  364    HA   LEU  51           HA       LEU  51  -8.609  -5.354  -2.674
  365   1HB   LEU  51          1HB       LEU  51  -8.120  -2.663  -1.396
  366   2HB   LEU  51          2HB       LEU  51  -7.042  -4.045  -1.399
  367    HG   LEU  51           HG       LEU  51  -7.900  -2.764  -3.988
  368   1HD1  LEU  51          1HD1      LEU  51  -7.058  -0.943  -2.595
  369   2HD1  LEU  51          2HD1      LEU  51  -5.580  -1.873  -2.252
  370   3HD1  LEU  51          3HD1      LEU  51  -5.922  -1.324  -3.911
  371   1HD2  LEU  51          1HD2      LEU  51  -5.445  -4.343  -3.168
  372   2HD2  LEU  51          2HD2      LEU  51  -6.813  -4.932  -4.144
  373   3HD2  LEU  51          3HD2      LEU  51  -5.749  -3.655  -4.783
  374    H    TYR  52           H        TYR  52  -7.959  -5.640  -0.125
  375    HA   TYR  52           HA       TYR  52 -10.453  -5.375   1.404
  376   1HB   TYR  52          1HB       TYR  52  -8.602  -6.910   2.849
  377   2HB   TYR  52          2HB       TYR  52  -9.817  -7.592   1.784
  378    HD1  TYR  52           HD1      TYR  52  -6.256  -6.709   2.124
  379    HD2  TYR  52           HD2      TYR  52  -9.220  -8.474  -0.408
  380    HE1  TYR  52           HE1      TYR  52  -4.428  -7.708   0.666
  381    HE2  TYR  52           HE2      TYR  52  -7.381  -9.466  -1.857
  382    HH   TYR  52           HH       TYR  52  -3.962  -8.976  -1.016
  383    H    GLU  53           H        GLU  53  -9.606  -5.388   3.979
  384    HA   GLU  53           HA       GLU  53  -8.943  -2.706   4.239
  385   1HB   GLU  53          1HB       GLU  53  -9.094  -4.990   6.242
  386   2HB   GLU  53          2HB       GLU  53  -8.755  -3.342   6.732
  387   1HG   GLU  53          1HG       GLU  53 -10.891  -2.587   5.667
  388   2HG   GLU  53          2HG       GLU  53 -11.231  -4.235   5.179
  389    H    GLN  54           H        GLN  54  -6.987  -5.563   3.872
  390    HA   GLN  54           HA       GLN  54  -4.708  -4.361   5.133
  391   1HB   GLN  54          1HB       GLN  54  -5.526  -7.010   4.467
  392   2HB   GLN  54          2HB       GLN  54  -4.077  -6.703   3.531
  393   1HG   GLN  54          1HG       GLN  54  -4.288  -6.157   6.528
  394   2HG   GLN  54          2HG       GLN  54  -3.668  -7.655   5.862
  395   1HE2  GLN  54          1HE2      GLN  54  -1.358  -4.356   6.195
  396   2HE2  GLN  54          2HE2      GLN  54  -2.971  -4.508   6.808
  397    H    ALA  55           H        ALA  55  -6.236  -3.447   2.464
  398    HA   ALA  55           HA       ALA  55  -4.254  -3.181   0.542
  399   1HB   ALA  55          1HB       ALA  55  -6.429  -1.277   1.496
  400   2HB   ALA  55          2HB       ALA  55  -5.476  -1.047   0.011
  401   3HB   ALA  55          3HB       ALA  55  -6.542  -2.463   0.172
  402    H    ILE  56           H        ILE  56  -2.268  -2.171   0.531
  403    HA   ILE  56           HA       ILE  56  -2.051   0.146   2.328
  404    HB   ILE  56           HB       ILE  56   0.214  -1.506   1.209
  405   1HG1  ILE  56          1HG1      ILE  56  -1.268  -2.747   2.833
  406   2HG1  ILE  56          2HG1      ILE  56   0.419  -2.609   3.288
  407   1HG2  ILE  56          1HG2      ILE  56   0.110   0.755   3.222
  408   2HG2  ILE  56          2HG2      ILE  56   1.532  -0.278   2.938
  409   3HG2  ILE  56          3HG2      ILE  56   0.903   0.750   1.628
  410   1HD1  ILE  56          1HD1      ILE  56  -1.718  -0.664   4.263
  411   2HD1  ILE  56          2HD1      ILE  56  -1.242  -2.127   5.159
  412   3HD1  ILE  56          3HD1      ILE  56  -0.053  -0.834   4.869
  413    H    VAL  57           H        VAL  57  -1.459   2.128   1.414
  414    HA   VAL  57           HA       VAL  57  -1.240   2.118  -1.508
  415    HB   VAL  57           HB       VAL  57  -3.380   2.737  -1.566
  416   1HG1  VAL  57          1HG1      VAL  57  -3.164   3.534   1.356
  417   2HG1  VAL  57          2HG1      VAL  57  -4.660   3.607   0.394
  418   3HG1  VAL  57          3HG1      VAL  57  -3.871   2.041   0.695
  419   1HG2  VAL  57          1HG2      VAL  57  -2.220   4.838  -2.092
  420   2HG2  VAL  57          2HG2      VAL  57  -3.793   5.143  -1.315
  421   3HG2  VAL  57          3HG2      VAL  57  -2.289   5.311  -0.377
  422    H    TRP  58           H        TRP  58  -0.142   4.022  -2.378
  423    HA   TRP  58           HA       TRP  58   2.185   4.273  -0.865
  424   1HB   TRP  58          1HB       TRP  58   2.205   4.249  -3.274
  425   2HB   TRP  58          2HB       TRP  58   1.251   5.717  -3.349
  426    HD1  TRP  58           HD1      TRP  58   4.847   4.541  -2.811
  427    HE1  TRP  58           HE1      TRP  58   6.543   6.563  -2.791
  428    HE3  TRP  58           HE3      TRP  58   1.308   8.191  -2.703
  429    HZ2  TRP  58           HZ2      TRP  58   6.222   9.398  -2.734
  430    HZ3  TRP  58           HZ3      TRP  58   2.084  10.560  -2.666
  431    HH2  TRP  58           HH2      TRP  58   4.446  11.188  -2.680
  432    HA   PRO  59           HA       PRO  59   3.677   5.320  -0.518
  433   1HB   PRO  59          1HB       PRO  59   5.192   6.404   1.482
  434   2HB   PRO  59          2HB       PRO  59   5.218   6.995  -0.167
  435   1HG   PRO  59          1HG       PRO  59   3.937   8.194   2.212
  436   2HG   PRO  59          2HG       PRO  59   4.337   8.950   0.683
  437   1HD   PRO  59          1HD       PRO  59   1.737   8.108   1.549
  438   2HD   PRO  59          2HD       PRO  59   2.158   8.757  -0.022
  439    H    LEU  60           H        LEU  60   5.101   3.986   1.129
  440    HA   LEU  60           HA       LEU  60   3.267   2.472   2.660
  441   1HB   LEU  60          1HB       LEU  60   6.284   2.513   2.794
  442   2HB   LEU  60          2HB       LEU  60   5.222   1.252   3.388
  443    HG   LEU  60           HG       LEU  60   4.648   1.665   0.611
  444   1HD1  LEU  60          1HD1      LEU  60   6.928   2.664   0.542
  445   2HD1  LEU  60          2HD1      LEU  60   7.581   1.117   1.132
  446   3HD1  LEU  60          3HD1      LEU  60   6.753   1.191  -0.443
  447   1HD2  LEU  60          1HD2      LEU  60   4.217  -0.389   1.855
  448   2HD2  LEU  60          2HD2      LEU  60   5.258  -0.702   0.446
  449   3HD2  LEU  60          3HD2      LEU  60   5.965  -0.637   2.078
  450    HA   PRO  61           HA       PRO  61   2.379   4.733   5.684
  451   1HB   PRO  61          1HB       PRO  61   1.831   3.125   7.826
  452   2HB   PRO  61          2HB       PRO  61   0.849   3.157   6.375
  453   1HG   PRO  61          1HG       PRO  61   2.791   1.109   7.255
  454   2HG   PRO  61          2HG       PRO  61   1.513   0.969   6.064
  455   1HD   PRO  61          1HD       PRO  61   4.318   1.265   5.545
  456   2HD   PRO  61          2HD       PRO  61   3.029   1.242   4.358
  457    H    ASN  62           H        ASN  62   4.979   2.823   7.051
  458    HA   ASN  62           HA       ASN  62   5.972   5.351   8.039
  459   1HB   ASN  62          1HB       ASN  62   6.783   4.098  10.153
  460   2HB   ASN  62          2HB       ASN  62   5.068   4.454  10.084
  461   1HD2  ASN  62          1HD2      ASN  62   4.806   1.083  11.125
  462   2HD2  ASN  62          2HD2      ASN  62   4.951   2.724  11.660
  463    H    LYS  63           H        LYS  63   6.868   4.261   5.700
  464    HA   LYS  63           HA       LYS  63   9.593   4.050   6.337
  465   1HB   LYS  63          1HB       LYS  63   9.968   1.795   5.230
  466   2HB   LYS  63          2HB       LYS  63   9.322   1.774   6.858
  467   1HG   LYS  63          1HG       LYS  63   6.973   1.654   5.779
  468   2HG   LYS  63          2HG       LYS  63   7.789   1.351   4.258
  469   1HD   LYS  63          1HD       LYS  63   7.689  -0.849   4.873
  470   2HD   LYS  63          2HD       LYS  63   9.068  -0.470   5.886
  471   1HE   LYS  63          1HE       LYS  63   6.157  -0.266   6.799
  472   2HE   LYS  63          2HE       LYS  63   7.196  -1.640   7.120
  473   1HZ   LYS  63          1HZ       LYS  63   8.737   0.010   8.164
  474   2HZ   LYS  63          2HZ       LYS  63   7.527   1.104   8.087
  475   3HZ   LYS  63          3HZ       LYS  63   7.342  -0.259   8.968
  476    H    ARG  64           H        ARG  64  10.914   3.793   4.208
  477    HA   ARG  64           HA       ARG  64   9.360   5.357   2.306
  478   1HB   ARG  64          1HB       ARG  64  11.634   6.507   1.844
  479   2HB   ARG  64          2HB       ARG  64  10.865   6.883   3.374
  480   1HG   ARG  64          1HG       ARG  64  12.385   5.586   4.623
  481   2HG   ARG  64          2HG       ARG  64  12.777   4.545   3.268
  482   1HD   ARG  64          1HD       ARG  64  13.510   7.499   3.219
  483   2HD   ARG  64          2HD       ARG  64  14.544   6.332   4.018
  484    HE   ARG  64           HE       ARG  64  13.816   5.480   1.327
  485   1HH1  ARG  64          2HH1      ARG  64  15.830   7.864   2.923
  486   2HH1  ARG  64          1HH1      ARG  64  17.172   7.652   1.847
  487   1HH2  ARG  64          1HH2      ARG  64  15.636   5.109  -0.043
  488   2HH2  ARG  64          2HH2      ARG  64  17.003   6.166   0.070
  489    H    CYS  65           H        CYS  65  10.416   5.396   0.023
  490    HA   CYS  65           HA       CYS  65  10.849   2.882  -0.978
  491   1HB   CYS  65          1HB       CYS  65  10.253   4.825  -2.334
  492   2HB   CYS  65          2HB       CYS  65  11.830   5.535  -2.052
  493    H    SER  66           H        SER  66  12.633   1.515  -1.047
  494    HA   SER  66           HA       SER  66  14.810   1.998   0.559
  495   1HB   SER  66          1HB       SER  66  15.811   0.013  -0.551
  496   2HB   SER  66          2HB       SER  66  14.131  -0.256  -0.128
  497    HG   SER  66           HG       SER  66  13.510  -0.017  -2.286
  498   1HN   NH2  67          1H        SER  66  14.946   1.602  -2.994
  499   2HN   NH2  67          2H        SER  66  16.099   2.855  -3.308
   
  No H/Q in entry =         499
  Start of MODEL   10
    1   1H    LYS   1          1H        LYS   1 -10.829   1.288   0.922
    2   2H    LYS   1          2H        LYS   1 -11.056   1.649   2.522
    3   3H    LYS   1          3H        LYS   1 -10.594   2.835   1.463
    4    HA   LYS   1           HA       LYS   1  -8.774   2.211   2.763
    5   1HB   LYS   1          1HB       LYS   1  -9.146  -0.588   1.666
    6   2HB   LYS   1          2HB       LYS   1  -7.937  -0.052   2.817
    7   1HG   LYS   1          1HG       LYS   1  -9.436  -0.750   4.397
    8   2HG   LYS   1          2HG       LYS   1 -10.228   0.783   4.091
    9   1HD   LYS   1          1HD       LYS   1 -11.887  -1.013   3.947
   10   2HD   LYS   1          2HD       LYS   1 -11.669  -0.310   2.357
   11   1HE   LYS   1          1HE       LYS   1  -9.729  -2.426   2.641
   12   2HE   LYS   1          2HE       LYS   1 -11.276  -3.055   3.171
   13   1HZ   LYS   1          1HZ       LYS   1 -12.220  -2.204   1.097
   14   2HZ   LYS   1          2HZ       LYS   1 -10.734  -1.743   0.600
   15   3HZ   LYS   1          3HZ       LYS   1 -11.060  -3.325   0.837
   16    H    GLU   2           H        GLU   2  -9.868   2.710  -0.260
   17    HA   GLU   2           HA       GLU   2  -7.889   1.219  -1.688
   18   1HB   GLU   2          1HB       GLU   2 -10.341   2.819  -2.469
   19   2HB   GLU   2          2HB       GLU   2  -9.203   2.297  -3.694
   20   1HG   GLU   2          1HG       GLU   2 -11.059   0.656  -3.394
   21   2HG   GLU   2          2HG       GLU   2  -9.496  -0.057  -3.048
   22    H    GLY   3           H        GLY   3  -6.794   2.354  -3.665
   23   1HA   GLY   3          1HA       GLY   3  -6.474   4.998  -4.065
   24   2HA   GLY   3          2HA       GLY   3  -5.424   4.708  -2.693
   25    H    TYR   4           H        TYR   4  -3.592   5.278  -4.101
   26    HA   TYR   4           HA       TYR   4  -3.104   3.675  -6.424
   27   1HB   TYR   4          1HB       TYR   4  -1.348   5.571  -4.742
   28   2HB   TYR   4          2HB       TYR   4  -1.004   5.089  -6.392
   29    HD1  TYR   4           HD1      TYR   4  -3.024   5.611  -8.106
   30    HD2  TYR   4           HD2      TYR   4  -2.319   7.651  -4.413
   31    HE1  TYR   4           HE1      TYR   4  -4.328   7.620  -8.959
   32    HE2  TYR   4           HE2      TYR   4  -3.626   9.653  -5.278
   33    HH   TYR   4           HH       TYR   4  -4.752  10.495  -6.910
   34    H    LEU   5           H        LEU   5  -2.010   1.761  -6.546
   35    HA   LEU   5           HA       LEU   5  -1.680   0.371  -4.160
   36   1HB   LEU   5          1HB       LEU   5  -1.173  -1.454  -5.472
   37   2HB   LEU   5          2HB       LEU   5  -2.196  -0.476  -6.503
   38    HG   LEU   5           HG       LEU   5   0.553   0.242  -6.964
   39   1HD1  LEU   5          1HD1      LEU   5  -0.044  -2.721  -7.181
   40   2HD1  LEU   5          2HD1      LEU   5   1.372  -1.897  -7.879
   41   3HD1  LEU   5          3HD1      LEU   5   1.152  -1.948  -6.113
   42   1HD2  LEU   5          1HD2      LEU   5  -1.314   0.607  -8.515
   43   2HD2  LEU   5          2HD2      LEU   5   0.002  -0.327  -9.268
   44   3HD2  LEU   5          3HD2      LEU   5  -1.480  -1.152  -8.729
   45    H    VAL   6           H        VAL   6   0.335  -0.674  -3.332
   46    HA   VAL   6           HA       VAL   6   2.734   0.877  -3.989
   47    HB   VAL   6           HB       VAL   6   1.733   1.689  -1.888
   48   1HG1  VAL   6          1HG1      VAL   6   0.634  -0.380  -1.159
   49   2HG1  VAL   6          2HG1      VAL   6   2.222  -1.136  -0.881
   50   3HG1  VAL   6          3HG1      VAL   6   1.712   0.253   0.108
   51   1HG2  VAL   6          1HG2      VAL   6   4.324   1.305  -2.416
   52   2HG2  VAL   6          2HG2      VAL   6   3.758   1.967  -0.863
   53   3HG2  VAL   6          3HG2      VAL   6   4.189   0.244  -0.992
   54    H    ASP   7           H        ASP   7   4.711  -0.323  -3.902
   55    HA   ASP   7           HA       ASP   7   4.392  -3.126  -4.149
   56   1HB   ASP   7          1HB       ASP   7   6.135  -1.665  -5.328
   57   2HB   ASP   7          2HB       ASP   7   6.962  -1.517  -3.790
   58    H    LYS   8           H        LYS   8   5.422  -4.735  -2.669
   59    HA   LYS   8           HA       LYS   8   5.111  -3.797   0.066
   60   1HB   LYS   8          1HB       LYS   8   4.669  -6.329  -1.394
   61   2HB   LYS   8          2HB       LYS   8   5.341  -6.519   0.213
   62   1HG   LYS   8          1HG       LYS   8   2.985  -4.658  -0.238
   63   2HG   LYS   8          2HG       LYS   8   2.722  -6.384  -0.088
   64   1HD   LYS   8          1HD       LYS   8   3.678  -6.437   2.137
   65   2HD   LYS   8          2HD       LYS   8   4.327  -4.817   1.974
   66   1HE   LYS   8          1HE       LYS   8   2.305  -4.720   3.353
   67   2HE   LYS   8          2HE       LYS   8   1.991  -3.904   1.834
   68   1HZ   LYS   8          1HZ       LYS   8   1.329  -6.729   2.242
   69   2HZ   LYS   8          2HZ       LYS   8   0.280  -5.528   2.596
   70   3HZ   LYS   8          3HZ       LYS   8   0.796  -5.737   1.060
   71    H    ASN   9           H        ASN   9   7.573  -4.453  -2.234
   72    HA   ASN   9           HA       ASN   9   9.394  -5.392  -0.193
   73   1HB   ASN   9          1HB       ASN   9   9.162  -5.644  -3.123
   74   2HB   ASN   9          2HB       ASN   9  10.781  -5.163  -2.656
   75   1HD2  ASN   9          1HD2      ASN   9  11.659  -8.139  -0.990
   76   2HD2  ASN   9          2HD2      ASN   9  11.961  -6.441  -1.161
   77    H    THR  10           H        THR  10   9.658  -3.181  -3.089
   78    HA   THR  10           HA       THR  10  11.693  -1.664  -1.692
   79    HB   THR  10           HB       THR  10  11.578  -0.512  -4.098
   80    HG1  THR  10           HG1      THR  10   9.584  -1.523  -4.721
   81   1HG2  THR  10          1HG2      THR  10  12.344  -3.466  -3.819
   82   2HG2  THR  10          2HG2      THR  10  12.906  -2.357  -5.092
   83   3HG2  THR  10          3HG2      THR  10  13.409  -2.101  -3.404
   84    H    GLY  11           H        GLY  11   8.283  -1.577  -2.028
   85   1HA   GLY  11          1HA       GLY  11   6.752  -0.047  -1.428
   86   2HA   GLY  11          2HA       GLY  11   7.995   0.666  -0.419
   87    H    CYS  12           H        CYS  12   8.235   0.341  -3.986
   88    HA   CYS  12           HA       CYS  12   8.237   3.260  -4.114
   89   1HB   CYS  12          1HB       CYS  12   9.939   1.265  -5.229
   90   2HB   CYS  12          2HB       CYS  12   9.113   2.059  -6.554
   91    H    LYS  13           H        LYS  13   6.822   4.322  -5.597
   92    HA   LYS  13           HA       LYS  13   4.456   2.959  -6.272
   93   1HB   LYS  13          1HB       LYS  13   3.766   5.031  -7.242
   94   2HB   LYS  13          2HB       LYS  13   4.651   5.393  -5.774
   95   1HG   LYS  13          1HG       LYS  13   6.723   5.798  -7.162
   96   2HG   LYS  13          2HG       LYS  13   5.779   5.517  -8.611
   97   1HD   LYS  13          1HD       LYS  13   4.424   7.467  -8.248
   98   2HD   LYS  13          2HD       LYS  13   4.926   7.609  -6.574
   99   1HE   LYS  13          1HE       LYS  13   6.118   9.305  -7.841
  100   2HE   LYS  13          2HE       LYS  13   7.284   8.087  -7.366
  101   1HZ   LYS  13          1HZ       LYS  13   5.952   8.196  -9.983
  102   2HZ   LYS  13          2HZ       LYS  13   7.480   8.688  -9.684
  103   3HZ   LYS  13          3HZ       LYS  13   7.087   7.110  -9.537
  104    H    TYR  14           H        TYR  14   3.578   2.846  -8.578
  105    HA   TYR  14           HA       TYR  14   5.675   1.546 -10.155
  106   1HB   TYR  14          1HB       TYR  14   2.640   1.406  -9.794
  107   2HB   TYR  14          2HB       TYR  14   3.341   0.755 -11.262
  108    HD1  TYR  14           HD1      TYR  14   3.527   0.484  -7.539
  109    HD2  TYR  14           HD2      TYR  14   4.201  -1.433 -11.303
  110    HE1  TYR  14           HE1      TYR  14   4.013  -1.708  -6.344
  111    HE2  TYR  14           HE2      TYR  14   4.684  -3.618 -10.096
  112    HH   TYR  14           HH       TYR  14   5.251  -3.752  -6.770
  113    H    GLU  15           H        GLU  15   2.992   3.953 -10.325
  114    HA   GLU  15           HA       GLU  15   2.761   5.706 -11.585
  115   1HB   GLU  15          1HB       GLU  15   5.189   6.069 -11.009
  116   2HB   GLU  15          2HB       GLU  15   5.636   5.260 -12.499
  117   1HG   GLU  15          1HG       GLU  15   4.496   6.965 -13.844
  118   2HG   GLU  15          2HG       GLU  15   3.819   7.712 -12.411
  119    H    CYS  16           H        CYS  16   1.158   4.672 -12.912
  120    HA   CYS  16           HA       CYS  16   1.948   3.301 -15.271
  121   1HB   CYS  16          1HB       CYS  16  -0.133   2.742 -14.205
  122   2HB   CYS  16          2HB       CYS  16  -0.711   4.391 -14.335
  123    H    LEU  17           H        LEU  17   3.428   4.870 -16.276
  124    HA   LEU  17           HA       LEU  17   2.747   7.364 -17.177
  125   1HB   LEU  17          1HB       LEU  17   4.327   6.991 -18.949
  126   2HB   LEU  17          2HB       LEU  17   4.933   6.347 -17.435
  127    HG   LEU  17           HG       LEU  17   3.753   4.123 -18.514
  128   1HD1  LEU  17          1HD1      LEU  17   3.224   5.283 -20.606
  129   2HD1  LEU  17          2HD1      LEU  17   4.947   5.668 -20.833
  130   3HD1  LEU  17          3HD1      LEU  17   4.402   3.974 -20.862
  131   1HD2  LEU  17          1HD2      LEU  17   6.607   5.080 -18.870
  132   2HD2  LEU  17          2HD2      LEU  17   5.943   4.191 -17.478
  133   3HD2  LEU  17          3HD2      LEU  17   6.045   3.403 -19.072
  134    H    LYS  18           H        LYS  18   1.739   8.169 -19.122
  135    HA   LYS  18           HA       LYS  18  -0.073   8.340 -20.368
  136   1HB   LYS  18          1HB       LYS  18   1.176   6.573 -21.674
  137   2HB   LYS  18          2HB       LYS  18   0.168   5.368 -20.899
  138   1HG   LYS  18          1HG       LYS  18  -1.877   6.620 -21.752
  139   2HG   LYS  18          2HG       LYS  18  -0.803   7.685 -22.636
  140   1HD   LYS  18          1HD       LYS  18   0.106   5.765 -23.915
  141   2HD   LYS  18          2HD       LYS  18  -0.875   4.651 -22.983
  142   1HE   LYS  18          1HE       LYS  18  -2.089   5.005 -25.019
  143   2HE   LYS  18          2HE       LYS  18  -2.939   5.945 -23.810
  144   1HZ   LYS  18          1HZ       LYS  18  -0.882   7.068 -25.578
  145   2HZ   LYS  18          2HZ       LYS  18  -2.484   7.142 -25.886
  146   3HZ   LYS  18          3HZ       LYS  18  -1.868   7.897 -24.576
  147    H    LEU  19           H        LEU  19  -1.375   8.949 -18.558
  148    HA   LEU  19           HA       LEU  19  -2.814   7.104 -17.032
  149   1HB   LEU  19          1HB       LEU  19  -4.119   8.944 -16.342
  150   2HB   LEU  19          2HB       LEU  19  -2.465   9.497 -16.515
  151    HG   LEU  19           HG       LEU  19  -3.539  10.090 -18.989
  152   1HD1  LEU  19          1HD1      LEU  19  -5.791   9.498 -18.244
  153   2HD1  LEU  19          2HD1      LEU  19  -5.664  10.663 -16.906
  154   3HD1  LEU  19          3HD1      LEU  19  -5.658  11.239 -18.589
  155   1HD2  LEU  19          1HD2      LEU  19  -2.046  11.498 -17.644
  156   2HD2  LEU  19          2HD2      LEU  19  -3.444  12.414 -18.258
  157   3HD2  LEU  19          3HD2      LEU  19  -3.399  11.893 -16.556
  158    H    GLY  20           H        GLY  20  -5.171   6.628 -17.166
  159   1HA   GLY  20          1HA       GLY  20  -7.174   6.592 -18.399
  160   2HA   GLY  20          2HA       GLY  20  -6.278   6.848 -19.883
  161    H    ASP  21           H        ASP  21  -4.313   4.949 -19.970
  162    HA   ASP  21           HA       ASP  21  -5.984   2.918 -20.910
  163   1HB   ASP  21          1HB       ASP  21  -2.950   3.135 -20.664
  164   2HB   ASP  21          2HB       ASP  21  -3.743   1.799 -21.476
  165    H    ASN  22           H        ASN  22  -6.997   1.746 -19.190
  166    HA   ASN  22           HA       ASN  22  -5.415   1.045 -16.919
  167   1HB   ASN  22          1HB       ASN  22  -7.590   0.034 -16.102
  168   2HB   ASN  22          2HB       ASN  22  -7.746   1.720 -16.552
  169   1HD2  ASN  22          1HD2      ASN  22 -10.368  -0.725 -18.026
  170   2HD2  ASN  22          2HD2      ASN  22  -9.599  -0.665 -16.475
  171    H    ASP  23           H        ASP  23  -4.062  -0.255 -18.782
  172    HA   ASP  23           HA       ASP  23  -5.174  -2.937 -18.879
  173   1HB   ASP  23          1HB       ASP  23  -4.397  -2.279 -21.039
  174   2HB   ASP  23          2HB       ASP  23  -2.967  -1.501 -20.387
  175    H    TYR  24           H        TYR  24  -1.927  -1.305 -18.475
  176    HA   TYR  24           HA       TYR  24  -0.734  -3.504 -17.231
  177   1HB   TYR  24          1HB       TYR  24  -0.226  -0.464 -17.145
  178   2HB   TYR  24          2HB       TYR  24   0.957  -1.653 -16.637
  179    HD1  TYR  24           HD1      TYR  24   1.522  -3.508 -18.482
  180    HD2  TYR  24           HD2      TYR  24  -0.092   0.367 -19.312
  181    HE1  TYR  24           HE1      TYR  24   2.399  -3.644 -20.864
  182    HE2  TYR  24           HE2      TYR  24   0.792   0.218 -21.691
  183    HH   TYR  24           HH       TYR  24   2.436  -2.718 -22.822
  184    H    CYS  25           H        CYS  25  -2.404  -0.590 -15.917
  185    HA   CYS  25           HA       CYS  25  -1.904  -0.989 -13.252
  186   1HB   CYS  25          1HB       CYS  25  -3.058   0.961 -14.172
  187   2HB   CYS  25          2HB       CYS  25  -4.453  -0.025 -14.564
  188    H    LEU  26           H        LEU  26  -4.623  -2.291 -15.301
  189    HA   LEU  26           HA       LEU  26  -5.893  -3.620 -13.233
  190   1HB   LEU  26          1HB       LEU  26  -6.310  -3.145 -15.928
  191   2HB   LEU  26          2HB       LEU  26  -6.164  -4.890 -15.847
  192    HG   LEU  26           HG       LEU  26  -8.062  -3.271 -14.127
  193   1HD1  LEU  26          1HD1      LEU  26  -8.662  -3.004 -16.472
  194   2HD1  LEU  26          2HD1      LEU  26  -8.626  -4.769 -16.702
  195   3HD1  LEU  26          3HD1      LEU  26  -9.845  -4.036 -15.632
  196   1HD2  LEU  26          1HD2      LEU  26  -7.841  -6.250 -14.637
  197   2HD2  LEU  26          2HD2      LEU  26  -7.475  -5.393 -13.120
  198   3HD2  LEU  26          3HD2      LEU  26  -9.147  -5.454 -13.728
  199    H    ARG  27           H        ARG  27  -3.238  -4.636 -15.427
  200    HA   ARG  27           HA       ARG  27  -3.357  -7.317 -14.724
  201   1HB   ARG  27          1HB       ARG  27  -1.770  -5.629 -16.411
  202   2HB   ARG  27          2HB       ARG  27  -0.638  -6.480 -15.378
  203   1HG   ARG  27          1HG       ARG  27  -2.058  -8.621 -15.990
  204   2HG   ARG  27          2HG       ARG  27  -2.666  -7.646 -17.313
  205   1HD   ARG  27          1HD       ARG  27  -0.787  -8.745 -18.262
  206   2HD   ARG  27          2HD       ARG  27  -0.167  -7.153 -17.875
  207    HE   ARG  27           HE       ARG  27   0.504  -9.682 -16.507
  208   1HH1  ARG  27          2HH1      ARG  27   1.658  -6.555 -17.243
  209   2HH1  ARG  27          1HH1      ARG  27   2.364  -6.229 -15.695
  210   1HH2  ARG  27          1HH2      ARG  27   1.442  -9.345 -14.322
  211   2HH2  ARG  27          2HH2      ARG  27   2.346  -7.890 -14.061
  212    H    GLU  28           H        GLU  28  -1.092  -4.660 -13.671
  213    HA   GLU  28           HA       GLU  28   0.394  -6.246 -11.998
  214   1HB   GLU  28          1HB       GLU  28   0.069  -3.381 -12.547
  215   2HB   GLU  28          2HB       GLU  28   0.463  -3.669 -10.864
  216   1HG   GLU  28          1HG       GLU  28   2.530  -3.416 -12.187
  217   2HG   GLU  28          2HG       GLU  28   2.428  -5.040 -11.536
  218    H    CYS  29           H        CYS  29  -2.624  -4.389 -11.408
  219    HA   CYS  29           HA       CYS  29  -2.660  -4.568  -8.655
  220   1HB   CYS  29          1HB       CYS  29  -4.185  -3.278 -10.298
  221   2HB   CYS  29          2HB       CYS  29  -5.151  -4.741 -10.334
  222    H    LYS  30           H        LYS  30  -3.824  -6.818 -11.243
  223    HA   LYS  30           HA       LYS  30  -5.054  -8.574  -9.375
  224   1HB   LYS  30          1HB       LYS  30  -5.266  -8.095 -12.083
  225   2HB   LYS  30          2HB       LYS  30  -4.437  -9.638 -12.047
  226   1HG   LYS  30          1HG       LYS  30  -6.182 -10.620 -10.634
  227   2HG   LYS  30          2HG       LYS  30  -6.955  -9.062 -10.420
  228   1HD   LYS  30          1HD       LYS  30  -6.562 -10.164 -13.217
  229   2HD   LYS  30          2HD       LYS  30  -7.882 -10.760 -12.232
  230   1HE   LYS  30          1HE       LYS  30  -7.427  -7.776 -12.654
  231   2HE   LYS  30          2HE       LYS  30  -8.373  -8.731 -13.780
  232   1HZ   LYS  30          1HZ       LYS  30  -9.655  -9.453 -11.756
  233   2HZ   LYS  30          2HZ       LYS  30  -8.926  -8.233 -10.951
  234   3HZ   LYS  30          3HZ       LYS  30  -9.873  -7.909 -12.241
  235    H    GLN  31           H        GLN  31  -1.843  -8.255 -10.874
  236    HA   GLN  31           HA       GLN  31  -1.220 -10.929  -9.901
  237   1HB   GLN  31          1HB       GLN  31  -0.775  -9.660 -12.416
  238   2HB   GLN  31          2HB       GLN  31   0.804  -9.831 -11.674
  239   1HG   GLN  31          1HG       GLN  31   0.368 -12.255 -11.278
  240   2HG   GLN  31          2HG       GLN  31  -1.228 -12.093 -11.982
  241   1HE2  GLN  31          1HE2      GLN  31   0.902 -13.466 -14.624
  242   2HE2  GLN  31          2HE2      GLN  31   0.248 -13.926 -13.088
  243    H    GLN  32           H        GLN  32  -1.298  -8.566  -8.155
  244    HA   GLN  32           HA       GLN  32   1.176  -9.212  -6.955
  245   1HB   GLN  32          1HB       GLN  32   2.370  -7.269  -7.145
  246   2HB   GLN  32          2HB       GLN  32   1.428  -7.072  -8.610
  247   1HG   GLN  32          1HG       GLN  32   1.101  -5.005  -7.528
  248   2HG   GLN  32          2HG       GLN  32  -0.340  -5.892  -7.075
  249   1HE2  GLN  32          1HE2      GLN  32   0.563  -4.552  -3.896
  250   2HE2  GLN  32          2HE2      GLN  32  -0.248  -4.183  -5.382
  251    H    TYR  33           H        TYR  33  -1.829  -7.260  -7.069
  252    HA   TYR  33           HA       TYR  33  -1.976  -7.487  -4.142
  253   1HB   TYR  33          1HB       TYR  33  -2.490  -5.443  -6.132
  254   2HB   TYR  33          2HB       TYR  33  -4.060  -5.926  -5.519
  255    HD1  TYR  33           HD1      TYR  33  -3.180  -6.572  -2.654
  256    HD2  TYR  33           HD2      TYR  33  -2.373  -3.248  -5.224
  257    HE1  TYR  33           HE1      TYR  33  -2.844  -5.075  -0.626
  258    HE2  TYR  33           HE2      TYR  33  -2.040  -1.764  -3.187
  259    HH   TYR  33           HH       TYR  33  -2.063  -1.631  -1.038
  260    H    GLY  34           H        GLY  34  -2.599  -9.580  -6.407
  261   1HA   GLY  34          1HA       GLY  34  -3.636 -11.466  -5.371
  262   2HA   GLY  34          2HA       GLY  34  -4.931 -10.428  -4.806
  263    H    LYS  35           H        LYS  35  -4.901 -12.922  -6.583
  264    HA   LYS  35           HA       LYS  35  -5.468 -12.000  -9.216
  265   1HB   LYS  35          1HB       LYS  35  -5.806 -14.699  -7.876
  266   2HB   LYS  35          2HB       LYS  35  -6.094 -14.400  -9.579
  267   1HG   LYS  35          1HG       LYS  35  -3.702 -13.473  -9.717
  268   2HG   LYS  35          2HG       LYS  35  -3.457 -14.054  -8.081
  269   1HD   LYS  35          1HD       LYS  35  -4.383 -15.850 -10.370
  270   2HD   LYS  35          2HD       LYS  35  -2.699 -15.649  -9.930
  271   1HE   LYS  35          1HE       LYS  35  -3.317 -16.384  -7.558
  272   2HE   LYS  35          2HE       LYS  35  -4.922 -16.758  -8.153
  273   1HZ   LYS  35          1HZ       LYS  35  -3.891 -18.256  -9.748
  274   2HZ   LYS  35          2HZ       LYS  35  -2.414 -17.936  -9.130
  275   3HZ   LYS  35          3HZ       LYS  35  -3.538 -18.685  -8.213
  276    H    GLY  36           H        GLY  36  -7.049 -10.308  -8.221
  277   1HA   GLY  36          1HA       GLY  36  -9.675 -11.237  -8.909
  278   2HA   GLY  36          2HA       GLY  36  -9.515 -10.886  -7.200
  279    H    ALA  37           H        ALA  37  -7.682  -8.684  -7.237
  280    HA   ALA  37           HA       ALA  37  -9.814  -6.845  -7.341
  281   1HB   ALA  37          1HB       ALA  37  -8.042  -6.874  -5.607
  282   2HB   ALA  37          2HB       ALA  37  -6.841  -6.416  -6.838
  283   3HB   ALA  37          3HB       ALA  37  -8.151  -5.289  -6.411
  284    H    GLY  38           H        GLY  38  -9.287  -4.496  -8.280
  285   1HA   GLY  38          1HA       GLY  38  -7.881  -4.650 -10.839
  286   2HA   GLY  38          2HA       GLY  38  -9.597  -4.298 -10.885
  287    H    GLY  39           H        GLY  39  -8.899  -2.159 -11.844
  288   1HA   GLY  39          1HA       GLY  39  -8.346  -0.013 -10.178
  289   2HA   GLY  39          2HA       GLY  39  -6.799  -0.726 -10.588
  290    H    TYR  40           H        TYR  40  -7.044   1.774 -11.503
  291    HA   TYR  40           HA       TYR  40  -6.840   1.238 -14.321
  292   1HB   TYR  40          1HB       TYR  40  -8.289   3.540 -14.491
  293   2HB   TYR  40          2HB       TYR  40  -9.085   1.978 -14.499
  294    HD1  TYR  40           HD1      TYR  40  -7.934   4.628 -12.109
  295    HD2  TYR  40           HD2      TYR  40 -10.784   1.552 -12.957
  296    HE1  TYR  40           HE1      TYR  40  -9.272   5.291 -10.052
  297    HE2  TYR  40           HE2      TYR  40 -12.113   2.225 -10.897
  298    HH   TYR  40           HH       TYR  40 -12.196   3.486  -9.146
  299    H    CYS  41           H        CYS  41  -5.994   3.284 -15.489
  300    HA   CYS  41           HA       CYS  41  -3.872   4.246 -13.793
  301   1HB   CYS  41          1HB       CYS  41  -4.363   4.462 -16.768
  302   2HB   CYS  41          2HB       CYS  41  -2.988   5.180 -15.952
  303    H    TYR  42           H        TYR  42  -4.721   5.919 -12.453
  304    HA   TYR  42           HA       TYR  42  -5.888   8.220 -13.740
  305   1HB   TYR  42          1HB       TYR  42  -5.215   7.124 -11.072
  306   2HB   TYR  42          2HB       TYR  42  -4.693   8.794 -11.185
  307    HD1  TYR  42           HD1      TYR  42  -6.720  10.174 -12.675
  308    HD2  TYR  42           HD2      TYR  42  -7.193   6.973  -9.876
  309    HE1  TYR  42           HE1      TYR  42  -9.094  10.942 -12.187
  310    HE2  TYR  42           HE2      TYR  42  -9.566   7.752  -9.397
  311    HH   TYR  42           HH       TYR  42 -10.903  10.590 -11.074
  312    H    ALA  43           H        ALA  43  -4.519  10.360 -12.634
  313    HA   ALA  43           HA       ALA  43  -2.679  10.779 -14.638
  314   1HB   ALA  43          1HB       ALA  43  -2.995  12.140 -11.931
  315   2HB   ALA  43          2HB       ALA  43  -2.075  12.801 -13.306
  316   3HB   ALA  43          3HB       ALA  43  -3.835  12.570 -13.441
  317    H    PHE  44           H        PHE  44  -1.193   9.012 -14.763
  318    HA   PHE  44           HA       PHE  44   0.739   8.017 -14.389
  319   1HB   PHE  44          1HB       PHE  44   1.389  10.490 -12.690
  320   2HB   PHE  44          2HB       PHE  44   2.530   9.528 -13.608
  321    HD1  PHE  44           HD1      PHE  44   1.848   9.382 -16.234
  322    HD2  PHE  44           HD2      PHE  44   0.843  12.536 -13.578
  323    HE1  PHE  44           HE1      PHE  44   1.592  10.942 -18.184
  324    HE2  PHE  44           HE2      PHE  44   0.588  14.096 -15.528
  325    HZ   PHE  44           HZ       PHE  44   0.966  13.279 -17.807
  326    H    ALA  45           H        ALA  45  -1.386   7.418 -12.467
  327    HA   ALA  45           HA       ALA  45   0.392   5.894 -10.842
  328   1HB   ALA  45          1HB       ALA  45  -1.494   7.892  -9.530
  329   2HB   ALA  45          2HB       ALA  45  -0.670   6.567  -8.675
  330   3HB   ALA  45          3HB       ALA  45   0.282   7.870  -9.422
  331    H    CYS  46           H        CYS  46  -0.529   3.899 -10.403
  332    HA   CYS  46           HA       CYS  46  -3.058   3.464 -11.700
  333   1HB   CYS  46          1HB       CYS  46  -1.510   1.832 -12.255
  334   2HB   CYS  46          2HB       CYS  46  -0.879   1.711 -10.625
  335    H    TRP  47           H        TRP  47  -4.875   3.955 -10.497
  336    HA   TRP  47           HA       TRP  47  -4.842   3.554  -7.635
  337   1HB   TRP  47          1HB       TRP  47  -5.912   5.529  -8.526
  338   2HB   TRP  47          2HB       TRP  47  -6.963   4.558  -9.539
  339    HD1  TRP  47           HD1      TRP  47  -8.448   2.627  -7.780
  340    HE1  TRP  47           HE1      TRP  47  -9.911   3.212  -5.664
  341    HE3  TRP  47           HE3      TRP  47  -6.254   7.119  -6.856
  342    HZ2  TRP  47           HZ2      TRP  47  -9.985   5.439  -3.881
  343    HZ3  TRP  47           HZ3      TRP  47  -7.080   8.436  -4.908
  344    HH2  TRP  47           HH2      TRP  47  -8.880   7.663  -3.445
  345    H    CYS  48           H        CYS  48  -5.317   1.593  -6.735
  346    HA   CYS  48           HA       CYS  48  -6.821  -0.295  -8.364
  347   1HB   CYS  48          1HB       CYS  48  -5.024  -0.567  -5.974
  348   2HB   CYS  48          2HB       CYS  48  -6.195  -1.819  -6.337
  349    H    THR  49           H        THR  49  -8.836  -1.195  -7.556
  350    HA   THR  49           HA       THR  49 -10.061   0.301  -5.376
  351    HB   THR  49           HB       THR  49 -10.289   1.840  -7.269
  352    HG1  THR  49           HG1      THR  49 -12.212   1.451  -5.974
  353   1HG2  THR  49          1HG2      THR  49 -10.802  -0.699  -8.754
  354   2HG2  THR  49          2HG2      THR  49 -11.931   0.625  -9.132
  355   3HG2  THR  49          3HG2      THR  49 -10.180   0.855  -9.358
  356    H    HIS  50           H        HIS  50  -9.378  -2.465  -5.515
  357    HA   HIS  50           HA       HIS  50 -11.951  -3.152  -4.541
  358   1HB   HIS  50          1HB       HIS  50 -12.149  -3.788  -6.950
  359   2HB   HIS  50          2HB       HIS  50 -10.816  -4.904  -6.737
  360    HD1  HIS  50           HD1      HIS  50 -14.379  -4.329  -5.502
  361    HD2  HIS  50           HD2      HIS  50 -11.508  -7.380  -5.716
  362    HE1  HIS  50           HE1      HIS  50 -15.560  -6.474  -4.784
  363    H    LEU  51           H        LEU  51 -10.151  -2.747  -2.812
  364    HA   LEU  51           HA       LEU  51  -8.375  -5.077  -2.644
  365   1HB   LEU  51          1HB       LEU  51  -7.996  -2.315  -1.483
  366   2HB   LEU  51          2HB       LEU  51  -6.859  -3.646  -1.402
  367    HG   LEU  51           HG       LEU  51  -7.766  -2.524  -4.052
  368   1HD1  LEU  51          1HD1      LEU  51  -6.909  -0.663  -2.657
  369   2HD1  LEU  51          2HD1      LEU  51  -5.381  -1.553  -2.458
  370   3HD1  LEU  51          3HD1      LEU  51  -5.890  -1.010  -4.075
  371   1HD2  LEU  51          1HD2      LEU  51  -5.354  -4.117  -3.151
  372   2HD2  LEU  51          2HD2      LEU  51  -6.671  -4.641  -4.229
  373   3HD2  LEU  51          3HD2      LEU  51  -5.527  -3.387  -4.766
  374    H    TYR  52           H        TYR  52  -7.666  -5.411  -0.185
  375    HA   TYR  52           HA       TYR  52 -10.173  -5.491   1.342
  376   1HB   TYR  52          1HB       TYR  52  -8.201  -7.086   2.572
  377   2HB   TYR  52          2HB       TYR  52  -9.413  -7.694   1.464
  378    HD1  TYR  52           HD1      TYR  52  -8.851  -8.189  -0.875
  379    HD2  TYR  52           HD2      TYR  52  -5.889  -6.746   1.853
  380    HE1  TYR  52           HE1      TYR  52  -7.014  -8.894  -2.485
  381    HE2  TYR  52           HE2      TYR  52  -4.061  -7.456   0.234
  382    HH   TYR  52           HH       TYR  52  -4.858  -8.640  -2.975
  383    H    GLU  53           H        GLU  53  -9.306  -5.830   3.901
  384    HA   GLU  53           HA       GLU  53  -8.919  -3.215   4.620
  385   1HB   GLU  53          1HB       GLU  53  -8.723  -4.052   6.905
  386   2HB   GLU  53          2HB       GLU  53  -9.937  -4.987   6.055
  387   1HG   GLU  53          1HG       GLU  53  -8.078  -6.697   5.529
  388   2HG   GLU  53          2HG       GLU  53  -7.064  -5.815   6.655
  389    H    GLN  54           H        GLN  54  -6.613  -5.621   3.601
  390    HA   GLN  54           HA       GLN  54  -4.432  -4.132   4.772
  391   1HB   GLN  54          1HB       GLN  54  -4.847  -6.861   4.087
  392   2HB   GLN  54          2HB       GLN  54  -3.614  -6.283   2.984
  393   1HG   GLN  54          1HG       GLN  54  -3.503  -5.842   6.003
  394   2HG   GLN  54          2HG       GLN  54  -2.736  -7.198   5.199
  395   1HE2  GLN  54          1HE2      GLN  54  -0.952  -3.595   5.408
  396   2HE2  GLN  54          2HE2      GLN  54  -2.429  -4.019   6.207
  397    H    ALA  55           H        ALA  55  -6.222  -2.960   2.657
  398    HA   ALA  55           HA       ALA  55  -4.429  -2.586   0.447
  399   1HB   ALA  55          1HB       ALA  55  -6.971  -2.365   0.421
  400   2HB   ALA  55          2HB       ALA  55  -6.758  -0.841   1.315
  401   3HB   ALA  55          3HB       ALA  55  -6.069  -1.019  -0.315
  402    H    ILE  56           H        ILE  56  -2.393  -1.873   1.186
  403    HA   ILE  56           HA       ILE  56  -2.444   0.774   2.418
  404    HB   ILE  56           HB       ILE  56  -0.063  -0.914   1.655
  405   1HG1  ILE  56          1HG1      ILE  56  -1.446  -2.178   3.214
  406   2HG1  ILE  56          2HG1      ILE  56   0.031  -1.637   3.985
  407   1HG2  ILE  56          1HG2      ILE  56  -0.443   1.600   3.275
  408   2HG2  ILE  56          2HG2      ILE  56   0.967   0.538   3.507
  409   3HG2  ILE  56          3HG2      ILE  56   0.669   1.289   1.921
  410   1HD1  ILE  56          1HD1      ILE  56  -1.246   0.337   4.932
  411   2HD1  ILE  56          2HD1      ILE  56  -2.734  -0.378   4.266
  412   3HD1  ILE  56          3HD1      ILE  56  -1.814  -1.243   5.521
  413    H    VAL  57           H        VAL  57  -1.530   2.618   1.341
  414    HA   VAL  57           HA       VAL  57  -1.340   2.280  -1.563
  415    HB   VAL  57           HB       VAL  57  -3.418   3.071  -1.702
  416   1HG1  VAL  57          1HG1      VAL  57  -3.132   4.135   1.127
  417   2HG1  VAL  57          2HG1      VAL  57  -4.617   4.242   0.152
  418   3HG1  VAL  57          3HG1      VAL  57  -3.966   2.650   0.611
  419   1HG2  VAL  57          1HG2      VAL  57  -2.042   5.009  -2.400
  420   2HG2  VAL  57          2HG2      VAL  57  -3.625   5.497  -1.747
  421   3HG2  VAL  57          3HG2      VAL  57  -2.159   5.667  -0.750
  422    H    TRP  58           H        TRP  58   0.017   3.917  -2.611
  423    HA   TRP  58           HA       TRP  58   2.294   3.803  -1.007
  424   1HB   TRP  58          1HB       TRP  58   2.415   3.486  -3.376
  425   2HB   TRP  58          2HB       TRP  58   1.771   5.085  -3.689
  426    HD1  TRP  58           HD1      TRP  58   5.049   3.322  -2.882
  427    HE1  TRP  58           HE1      TRP  58   7.106   4.971  -2.985
  428    HE3  TRP  58           HE3      TRP  58   2.290   7.578  -3.240
  429    HZ2  TRP  58           HZ2      TRP  58   7.344   7.806  -3.199
  430    HZ3  TRP  58           HZ3      TRP  58   3.512   9.745  -3.390
  431    HH2  TRP  58           HH2      TRP  58   5.951   9.902  -3.374
  432    HA   PRO  59           HA       PRO  59   3.990   4.525  -0.715
  433   1HB   PRO  59          1HB       PRO  59   5.657   5.447   1.244
  434   2HB   PRO  59          2HB       PRO  59   5.860   5.843  -0.450
  435   1HG   PRO  59          1HG       PRO  59   4.819   7.538   1.737
  436   2HG   PRO  59          2HG       PRO  59   5.423   8.023   0.164
  437   1HD   PRO  59          1HD       PRO  59   2.677   7.875   0.978
  438   2HD   PRO  59          2HD       PRO  59   3.275   8.247  -0.626
  439    H    LEU  60           H        LEU  60   5.160   3.300   1.381
  440    HA   LEU  60           HA       LEU  60   3.006   3.051   3.342
  441   1HB   LEU  60          1HB       LEU  60   5.500   1.469   3.575
  442   2HB   LEU  60          2HB       LEU  60   3.839   1.023   3.908
  443    HG   LEU  60           HG       LEU  60   3.808   1.341   1.169
  444   1HD1  LEU  60          1HD1      LEU  60   6.553   0.497   2.026
  445   2HD1  LEU  60          2HD1      LEU  60   5.831  -0.207   0.559
  446   3HD1  LEU  60          3HD1      LEU  60   6.046   1.555   0.687
  447   1HD2  LEU  60          1HD2      LEU  60   4.298  -1.172   2.787
  448   2HD2  LEU  60          2HD2      LEU  60   2.723  -0.451   2.379
  449   3HD2  LEU  60          3HD2      LEU  60   3.751  -1.127   1.094
  450    HA   PRO  61           HA       PRO  61   4.805   5.647   6.091
  451   1HB   PRO  61          1HB       PRO  61   4.243   4.596   8.550
  452   2HB   PRO  61          2HB       PRO  61   3.046   5.402   7.555
  453   1HG   PRO  61          1HG       PRO  61   3.385   2.510   8.071
  454   2HG   PRO  61          2HG       PRO  61   1.983   3.359   7.449
  455   1HD   PRO  61          1HD       PRO  61   3.849   1.791   5.938
  456   2HD   PRO  61          2HD       PRO  61   2.515   2.733   5.302
  457    H    ASN  62           H        ASN  62   5.849   2.382   6.961
  458    HA   ASN  62           HA       ASN  62   7.885   3.707   8.547
  459   1HB   ASN  62          1HB       ASN  62   8.022   1.504   9.755
  460   2HB   ASN  62          2HB       ASN  62   6.403   2.171   9.791
  461   1HD2  ASN  62          1HD2      ASN  62   6.681  -1.533   8.744
  462   2HD2  ASN  62          2HD2      ASN  62   7.527  -0.603   9.934
  463    H    LYS  63           H        LYS  63   7.565   2.544   5.494
  464    HA   LYS  63           HA       LYS  63  10.361   2.174   5.220
  465   1HB   LYS  63          1HB       LYS  63  10.242  -0.129   4.249
  466   2HB   LYS  63          2HB       LYS  63  10.005  -0.055   5.984
  467   1HG   LYS  63          1HG       LYS  63   7.695  -0.509   5.834
  468   2HG   LYS  63          2HG       LYS  63   7.575   0.084   4.189
  469   1HD   LYS  63          1HD       LYS  63   9.237  -2.379   4.835
  470   2HD   LYS  63          2HD       LYS  63   7.505  -2.505   4.593
  471   1HE   LYS  63          1HE       LYS  63   7.676  -1.616   2.326
  472   2HE   LYS  63          2HE       LYS  63   9.356  -1.176   2.562
  473   1HZ   LYS  63          1HZ       LYS  63   9.679  -3.635   3.007
  474   2HZ   LYS  63          2HZ       LYS  63   8.215  -3.852   2.318
  475   3HZ   LYS  63          3HZ       LYS  63   9.429  -3.179   1.459
  476    H    ARG  64           H        ARG  64   9.030   4.193   4.186
  477    HA   ARG  64           HA       ARG  64   7.947   3.732   1.682
  478   1HB   ARG  64          1HB       ARG  64   8.503   6.126   1.252
  479   2HB   ARG  64          2HB       ARG  64   7.802   5.916   2.844
  480   1HG   ARG  64          1HG       ARG  64   9.969   6.069   3.924
  481   2HG   ARG  64          2HG       ARG  64  10.818   5.928   2.396
  482   1HD   ARG  64          1HD       ARG  64   9.871   8.117   1.654
  483   2HD   ARG  64          2HD       ARG  64   8.985   8.255   3.160
  484    HE   ARG  64           HE       ARG  64  11.008   8.725   4.314
  485   1HH1  ARG  64          2HH1      ARG  64  11.794   7.482   1.130
  486   2HH1  ARG  64          1HH1      ARG  64  13.316   8.305   1.034
  487   1HH2  ARG  64          1HH2      ARG  64  13.051   9.776   4.225
  488   2HH2  ARG  64          2HH2      ARG  64  14.093   9.501   2.870
  489    H    CYS  65           H        CYS  65   9.082   4.461  -0.455
  490    HA   CYS  65           HA       CYS  65  11.387   2.970  -0.885
  491   1HB   CYS  65          1HB       CYS  65   9.568   3.985  -2.508
  492   2HB   CYS  65          2HB       CYS  65  10.714   5.304  -2.631
  493    H    SER  66           H        SER  66  13.613   3.657  -1.156
  494    HA   SER  66           HA       SER  66  14.375   5.396   0.850
  495   1HB   SER  66          1HB       SER  66  16.667   5.046   0.004
  496   2HB   SER  66          2HB       SER  66  15.781   3.534   0.044
  497    HG   SER  66           HG       SER  66  16.949   3.785  -1.956
  498   1HN   NH2  67          1H        SER  66  14.785   5.704  -2.699
  499   2HN   NH2  67          2H        SER  66  14.914   7.431  -2.745
   
  No H/Q in entry =         499
  Start of MODEL   11
    1   1H    LYS   1          1H        LYS   1 -11.517   2.077   0.387
    2   2H    LYS   1          2H        LYS   1 -11.657   1.831   2.018
    3   3H    LYS   1          3H        LYS   1 -10.581   2.949   1.439
    4    HA   LYS   1           HA       LYS   1  -9.184   1.319   1.880
    5   1HB   LYS   1          1HB       LYS   1  -9.758  -1.082   1.610
    6   2HB   LYS   1          2HB       LYS   1 -10.782  -0.240   2.755
    7   1HG   LYS   1          1HG       LYS   1 -12.618  -0.124   1.197
    8   2HG   LYS   1          2HG       LYS   1 -11.597  -0.554  -0.161
    9   1HD   LYS   1          1HD       LYS   1 -11.217  -2.821   0.881
   10   2HD   LYS   1          2HD       LYS   1 -12.311  -2.385   2.180
   11   1HE   LYS   1          1HE       LYS   1 -14.186  -2.159   0.621
   12   2HE   LYS   1          2HE       LYS   1 -13.126  -2.342  -0.763
   13   1HZ   LYS   1          1HZ       LYS   1 -13.514  -4.408   1.289
   14   2HZ   LYS   1          2HZ       LYS   1 -14.284  -4.380  -0.151
   15   3HZ   LYS   1          3HZ       LYS   1 -12.663  -4.567  -0.096
   16    H    GLU   2           H        GLU   2  -9.404   3.021  -0.348
   17    HA   GLU   2           HA       GLU   2  -8.392   1.273  -2.428
   18   1HB   GLU   2          1HB       GLU   2 -10.439   3.474  -2.943
   19   2HB   GLU   2          2HB       GLU   2  -9.717   2.432  -4.154
   20   1HG   GLU   2          1HG       GLU   2 -10.732   0.434  -3.049
   21   2HG   GLU   2          2HG       GLU   2 -11.440   1.465  -1.822
   22    H    GLY   3           H        GLY   3  -6.757   2.225  -3.740
   23   1HA   GLY   3          1HA       GLY   3  -6.105   4.941  -3.801
   24   2HA   GLY   3          2HA       GLY   3  -5.237   4.221  -2.460
   25    H    TYR   4           H        TYR   4  -3.405   4.997  -4.029
   26    HA   TYR   4           HA       TYR   4  -2.956   3.367  -6.330
   27   1HB   TYR   4          1HB       TYR   4  -1.170   5.182  -4.589
   28   2HB   TYR   4          2HB       TYR   4  -0.745   4.636  -6.199
   29    HD1  TYR   4           HD1      TYR   4  -2.514   5.253  -8.093
   30    HD2  TYR   4           HD2      TYR   4  -2.155   7.275  -4.341
   31    HE1  TYR   4           HE1      TYR   4  -3.653   7.300  -9.080
   32    HE2  TYR   4           HE2      TYR   4  -3.296   9.316  -5.340
   33    HH   TYR   4           HH       TYR   4  -4.226  10.184  -7.079
   34    H    LEU   5           H        LEU   5  -2.388   1.251  -6.216
   35    HA   LEU   5           HA       LEU   5  -1.640   0.001  -3.874
   36   1HB   LEU   5          1HB       LEU   5  -1.428  -1.919  -5.135
   37   2HB   LEU   5          2HB       LEU   5  -2.593  -0.959  -6.024
   38    HG   LEU   5           HG       LEU   5  -1.144  -1.967  -7.610
   39   1HD1  LEU   5          1HD1      LEU   5  -1.768   0.340  -8.109
   40   2HD1  LEU   5          2HD1      LEU   5  -0.313   0.929  -7.269
   41   3HD1  LEU   5          3HD1      LEU   5  -0.152  -0.041  -8.753
   42   1HD2  LEU   5          1HD2      LEU   5   0.726  -2.156  -5.730
   43   2HD2  LEU   5          2HD2      LEU   5   1.112  -2.236  -7.466
   44   3HD2  LEU   5          3HD2      LEU   5   1.356  -0.717  -6.569
   45    H    VAL   6           H        VAL   6   0.486  -1.201  -3.483
   46    HA   VAL   6           HA       VAL   6   2.731   0.509  -4.259
   47    HB   VAL   6           HB       VAL   6   1.849   1.370  -2.161
   48   1HG1  VAL   6          1HG1      VAL   6   0.736  -0.644  -1.329
   49   2HG1  VAL   6          2HG1      VAL   6   2.313  -1.429  -1.072
   50   3HG1  VAL   6          3HG1      VAL   6   1.863   0.000  -0.110
   51   1HG2  VAL   6          1HG2      VAL   6   4.339   1.256  -2.650
   52   2HG2  VAL   6          2HG2      VAL   6   3.889   1.429  -0.936
   53   3HG2  VAL   6          3HG2      VAL   6   4.398  -0.156  -1.566
   54    H    ASP   7           H        ASP   7   4.779  -0.566  -4.248
   55    HA   ASP   7           HA       ASP   7   4.602  -3.416  -4.241
   56   1HB   ASP   7          1HB       ASP   7   7.230  -3.031  -4.495
   57   2HB   ASP   7          2HB       ASP   7   6.145  -2.746  -5.842
   58    H    LYS   8           H        LYS   8   5.026  -4.678  -2.403
   59    HA   LYS   8           HA       LYS   8   5.350  -3.246   0.032
   60   1HB   LYS   8          1HB       LYS   8   4.622  -5.977  -0.827
   61   2HB   LYS   8          2HB       LYS   8   5.459  -5.898   0.710
   62   1HG   LYS   8          1HG       LYS   8   3.826  -4.262   1.572
   63   2HG   LYS   8          2HG       LYS   8   3.039  -4.171   0.008
   64   1HD   LYS   8          1HD       LYS   8   2.397  -6.565   0.160
   65   2HD   LYS   8          2HD       LYS   8   3.248  -6.717   1.684
   66   1HE   LYS   8          1HE       LYS   8   1.727  -5.039   2.723
   67   2HE   LYS   8          2HE       LYS   8   0.895  -4.827   1.195
   68   1HZ   LYS   8          1HZ       LYS   8   1.083  -7.388   2.624
   69   2HZ   LYS   8          2HZ       LYS   8  -0.205  -6.386   2.685
   70   3HZ   LYS   8          3HZ       LYS   8   0.210  -7.095   1.274
   71    H    ASN   9           H        ASN   9   7.533  -4.430  -2.305
   72    HA   ASN   9           HA       ASN   9   9.592  -5.165  -0.525
   73   1HB   ASN   9          1HB       ASN   9   9.250  -4.739  -3.459
   74   2HB   ASN   9          2HB       ASN   9  10.865  -4.384  -2.877
   75   1HD2  ASN   9          1HD2      ASN   9  11.575  -7.763  -3.397
   76   2HD2  ASN   9          2HD2      ASN   9  11.753  -6.127  -3.941
   77    H    THR  10           H        THR  10   9.450  -2.413  -2.935
   78    HA   THR  10           HA       THR  10  11.424  -1.066  -1.229
   79    HB   THR  10           HB       THR  10  11.737   0.140  -3.588
   80    HG1  THR  10           HG1      THR  10   9.904  -0.818  -4.611
   81   1HG2  THR  10          1HG2      THR  10  12.425  -2.828  -3.260
   82   2HG2  THR  10          2HG2      THR  10  13.208  -1.691  -4.383
   83   3HG2  THR  10          3HG2      THR  10  13.409  -1.487  -2.626
   84    H    GLY  11           H        GLY  11   8.142  -0.898  -2.350
   85   1HA   GLY  11          1HA       GLY  11   6.557   0.686  -2.206
   86   2HA   GLY  11          2HA       GLY  11   7.476   1.356  -0.872
   87    H    CYS  12           H        CYS  12   8.447   1.015  -4.346
   88    HA   CYS  12           HA       CYS  12   9.114   3.855  -4.238
   89   1HB   CYS  12          1HB       CYS  12  10.538   1.568  -5.109
   90   2HB   CYS  12          2HB       CYS  12  10.180   2.509  -6.543
   91    H    LYS  13           H        LYS  13   6.681   1.754  -5.247
   92    HA   LYS  13           HA       LYS  13   4.810   2.226  -6.331
   93   1HB   LYS  13          1HB       LYS  13   4.194   4.357  -6.202
   94   2HB   LYS  13          2HB       LYS  13   5.840   4.770  -5.766
   95   1HG   LYS  13          1HG       LYS  13   6.378   4.866  -8.272
   96   2HG   LYS  13          2HG       LYS  13   4.662   4.688  -8.581
   97   1HD   LYS  13          1HD       LYS  13   4.286   6.739  -7.080
   98   2HD   LYS  13          2HD       LYS  13   6.024   6.960  -7.066
   99   1HE   LYS  13          1HE       LYS  13   5.989   7.048  -9.599
  100   2HE   LYS  13          2HE       LYS  13   4.240   6.951  -9.547
  101   1HZ   LYS  13          1HZ       LYS  13   4.233   8.970  -8.234
  102   2HZ   LYS  13          2HZ       LYS  13   5.862   9.064  -8.307
  103   3HZ   LYS  13          3HZ       LYS  13   4.974   9.213  -9.669
  104    H    TYR  14           H        TYR  14   3.938   2.438  -8.609
  105    HA   TYR  14           HA       TYR  14   6.012   1.359 -10.383
  106   1HB   TYR  14          1HB       TYR  14   2.953   1.144 -10.125
  107   2HB   TYR  14          2HB       TYR  14   3.807   0.473 -11.500
  108    HD1  TYR  14           HD1      TYR  14   3.281   0.178  -7.850
  109    HD2  TYR  14           HD2      TYR  14   5.048  -1.587 -11.323
  110    HE1  TYR  14           HE1      TYR  14   3.682  -1.975  -6.560
  111    HE2  TYR  14           HE2      TYR  14   5.444  -3.735 -10.021
  112    HH   TYR  14           HH       TYR  14   4.218  -4.099  -6.730
  113    H    GLU  15           H        GLU  15   3.029   3.434 -10.366
  114    HA   GLU  15           HA       GLU  15   2.403   5.078 -11.643
  115   1HB   GLU  15          1HB       GLU  15   5.024   5.643 -11.353
  116   2HB   GLU  15          2HB       GLU  15   5.027   5.365 -13.083
  117   1HG   GLU  15          1HG       GLU  15   3.310   7.072 -13.436
  118   2HG   GLU  15          2HG       GLU  15   3.048   7.239 -11.711
  119    H    CYS  16           H        CYS  16   1.688   5.546 -13.896
  120    HA   CYS  16           HA       CYS  16   2.730   3.701 -15.887
  121   1HB   CYS  16          1HB       CYS  16   0.295   3.577 -16.778
  122   2HB   CYS  16          2HB       CYS  16   0.833   2.485 -15.517
  123    H    LEU  17           H        LEU  17   3.334   4.910 -17.682
  124    HA   LEU  17           HA       LEU  17   2.921   7.747 -17.329
  125   1HB   LEU  17          1HB       LEU  17   4.733   7.976 -18.927
  126   2HB   LEU  17          2HB       LEU  17   5.165   6.927 -17.590
  127    HG   LEU  17           HG       LEU  17   4.114   5.351 -19.776
  128   1HD1  LEU  17          1HD1      LEU  17   4.829   7.184 -21.211
  129   2HD1  LEU  17          2HD1      LEU  17   6.448   7.155 -20.471
  130   3HD1  LEU  17          3HD1      LEU  17   5.881   5.764 -21.427
  131   1HD2  LEU  17          1HD2      LEU  17   5.497   4.508 -17.929
  132   2HD2  LEU  17          2HD2      LEU  17   6.213   4.150 -19.518
  133   3HD2  LEU  17          3HD2      LEU  17   6.871   5.471 -18.524
  134    H    LYS  18           H        LYS  18   0.470   6.966 -17.941
  135    HA   LYS  18           HA       LYS  18  -0.202   7.689 -20.525
  136   1HB   LYS  18          1HB       LYS  18   1.099   5.812 -21.318
  137   2HB   LYS  18          2HB       LYS  18   0.297   4.717 -20.209
  138   1HG   LYS  18          1HG       LYS  18  -0.865   4.351 -22.232
  139   2HG   LYS  18          2HG       LYS  18  -1.921   5.456 -21.375
  140   1HD   LYS  18          1HD       LYS  18  -0.886   7.383 -22.618
  141   2HD   LYS  18          2HD       LYS  18   0.127   6.256 -23.497
  142   1HE   LYS  18          1HE       LYS  18  -1.939   5.118 -24.381
  143   2HE   LYS  18          2HE       LYS  18  -2.929   6.293 -23.539
  144   1HZ   LYS  18          1HZ       LYS  18  -1.861   8.023 -24.823
  145   2HZ   LYS  18          2HZ       LYS  18  -0.943   6.926 -25.611
  146   3HZ   LYS  18          3HZ       LYS  18  -2.564   6.928 -25.811
  147    H    LEU  19           H        LEU  19  -1.797   8.710 -19.168
  148    HA   LEU  19           HA       LEU  19  -3.157   7.116 -17.237
  149   1HB   LEU  19          1HB       LEU  19  -3.969   9.080 -16.422
  150   2HB   LEU  19          2HB       LEU  19  -2.480   9.612 -17.178
  151    HG   LEU  19           HG       LEU  19  -4.284   9.927 -19.229
  152   1HD1  LEU  19          1HD1      LEU  19  -6.169   9.366 -17.760
  153   2HD1  LEU  19          2HD1      LEU  19  -5.716  10.701 -16.672
  154   3HD1  LEU  19          3HD1      LEU  19  -6.250  11.049 -18.334
  155   1HD2  LEU  19          1HD2      LEU  19  -2.541  11.504 -18.562
  156   2HD2  LEU  19          2HD2      LEU  19  -4.108  12.323 -18.768
  157   3HD2  LEU  19          3HD2      LEU  19  -3.495  11.970 -17.133
  158    H    GLY  20           H        GLY  20  -5.514   6.788 -17.150
  159   1HA   GLY  20          1HA       GLY  20  -7.555   6.434 -18.209
  160   2HA   GLY  20          2HA       GLY  20  -6.818   6.727 -19.771
  161    H    ASP  21           H        ASP  21  -4.603   5.026 -19.819
  162    HA   ASP  21           HA       ASP  21  -6.018   2.818 -20.724
  163   1HB   ASP  21          1HB       ASP  21  -3.029   3.255 -20.272
  164   2HB   ASP  21          2HB       ASP  21  -3.679   1.864 -21.116
  165    H    ASN  22           H        ASN  22  -7.035   1.563 -19.085
  166    HA   ASN  22           HA       ASN  22  -5.530   1.063 -16.684
  167   1HB   ASN  22          1HB       ASN  22  -7.705   0.062 -15.880
  168   2HB   ASN  22          2HB       ASN  22  -7.891   1.714 -16.431
  169   1HD2  ASN  22          1HD2      ASN  22 -10.346  -0.964 -17.858
  170   2HD2  ASN  22          2HD2      ASN  22  -9.575  -0.867 -16.309
  171    H    ASP  23           H        ASP  23  -4.206  -0.240 -18.666
  172    HA   ASP  23           HA       ASP  23  -5.266  -2.945 -18.677
  173   1HB   ASP  23          1HB       ASP  23  -4.684  -2.013 -20.887
  174   2HB   ASP  23          2HB       ASP  23  -3.076  -1.601 -20.325
  175    H    TYR  24           H        TYR  24  -2.083  -1.158 -18.492
  176    HA   TYR  24           HA       TYR  24  -0.734  -3.373 -17.352
  177   1HB   TYR  24          1HB       TYR  24  -0.143  -0.347 -17.400
  178   2HB   TYR  24          2HB       TYR  24   1.060  -1.594 -17.147
  179    HD1  TYR  24           HD1      TYR  24   1.093  -3.452 -19.120
  180    HD2  TYR  24           HD2      TYR  24  -0.281   0.580 -19.519
  181    HE1  TYR  24           HE1      TYR  24   1.508  -3.551 -21.627
  182    HE2  TYR  24           HE2      TYR  24   0.138   0.466 -22.025
  183    HH   TYR  24           HH       TYR  24   1.314  -2.533 -23.522
  184    H    CYS  25           H        CYS  25  -2.489  -0.553 -16.058
  185    HA   CYS  25           HA       CYS  25  -1.382  -0.741 -13.467
  186   1HB   CYS  25          1HB       CYS  25  -3.783   0.643 -14.636
  187   2HB   CYS  25          2HB       CYS  25  -3.516   0.616 -12.904
  188    H    LEU  26           H        LEU  26  -4.164  -2.173 -15.229
  189    HA   LEU  26           HA       LEU  26  -5.271  -3.542 -13.047
  190   1HB   LEU  26          1HB       LEU  26  -5.786  -3.243 -15.749
  191   2HB   LEU  26          2HB       LEU  26  -5.365  -4.938 -15.609
  192    HG   LEU  26           HG       LEU  26  -7.494  -3.556 -13.953
  193   1HD1  LEU  26          1HD1      LEU  26  -7.781  -5.304 -16.412
  194   2HD1  LEU  26          2HD1      LEU  26  -9.116  -4.753 -15.371
  195   3HD1  LEU  26          3HD1      LEU  26  -8.153  -3.567 -16.286
  196   1HD2  LEU  26          1HD2      LEU  26  -6.738  -6.477 -14.228
  197   2HD2  LEU  26          2HD2      LEU  26  -6.577  -5.452 -12.781
  198   3HD2  LEU  26          3HD2      LEU  26  -8.192  -5.871 -13.399
  199    H    ARG  27           H        ARG  27  -2.701  -4.433 -15.441
  200    HA   ARG  27           HA       ARG  27  -2.402  -7.007 -14.620
  201   1HB   ARG  27          1HB       ARG  27  -0.481  -4.987 -15.835
  202   2HB   ARG  27          2HB       ARG  27   0.078  -6.602 -15.452
  203   1HG   ARG  27          1HG       ARG  27  -1.704  -7.584 -16.879
  204   2HG   ARG  27          2HG       ARG  27  -2.334  -5.986 -17.222
  205   1HD   ARG  27          1HD       ARG  27   0.311  -5.645 -17.931
  206   2HD   ARG  27          2HD       ARG  27   0.092  -7.341 -18.315
  207    HE   ARG  27           HE       ARG  27  -1.255  -5.056 -19.615
  208   1HH1  ARG  27          2HH1      ARG  27  -1.552  -8.490 -18.972
  209   2HH1  ARG  27          1HH1      ARG  27  -2.168  -8.871 -20.546
  210   1HH2  ARG  27          1HH2      ARG  27  -2.083  -5.545 -21.704
  211   2HH2  ARG  27          2HH2      ARG  27  -2.541  -7.171 -22.084
  212    H    GLU  28           H        GLU  28  -0.740  -4.005 -13.450
  213    HA   GLU  28           HA       GLU  28   0.993  -5.231 -11.711
  214   1HB   GLU  28          1HB       GLU  28  -0.155  -2.507 -12.067
  215   2HB   GLU  28          2HB       GLU  28   0.449  -2.839 -10.457
  216   1HG   GLU  28          1HG       GLU  28   2.297  -1.935 -11.728
  217   2HG   GLU  28          2HG       GLU  28   2.624  -3.641 -11.498
  218    H    CYS  29           H        CYS  29  -2.331  -3.898 -11.100
  219    HA   CYS  29           HA       CYS  29  -2.454  -4.463  -8.421
  220   1HB   CYS  29          1HB       CYS  29  -4.118  -3.313 -10.177
  221   2HB   CYS  29          2HB       CYS  29  -4.915  -4.868 -10.045
  222    H    LYS  30           H        LYS  30  -2.862  -6.556 -11.311
  223    HA   LYS  30           HA       LYS  30  -4.283  -8.553  -9.831
  224   1HB   LYS  30          1HB       LYS  30  -4.045  -7.789 -12.523
  225   2HB   LYS  30          2HB       LYS  30  -3.325  -9.383 -12.445
  226   1HG   LYS  30          1HG       LYS  30  -6.006  -8.784 -11.133
  227   2HG   LYS  30          2HG       LYS  30  -5.894  -9.242 -12.821
  228   1HD   LYS  30          1HD       LYS  30  -4.903 -11.387 -12.273
  229   2HD   LYS  30          2HD       LYS  30  -4.634 -10.915 -10.607
  230   1HE   LYS  30          1HE       LYS  30  -7.200 -10.646 -10.408
  231   2HE   LYS  30          2HE       LYS  30  -7.314 -11.438 -11.967
  232   1HZ   LYS  30          1HZ       LYS  30  -5.990 -13.262 -10.967
  233   2HZ   LYS  30          2HZ       LYS  30  -6.161 -12.547  -9.508
  234   3HZ   LYS  30          3HZ       LYS  30  -7.478 -13.077 -10.317
  235    H    GLN  31           H        GLN  31  -0.933  -7.832 -10.686
  236    HA   GLN  31           HA       GLN  31  -0.233 -10.329  -9.355
  237   1HB   GLN  31          1HB       GLN  31   1.508  -8.485 -11.052
  238   2HB   GLN  31          2HB       GLN  31   2.057  -9.964 -10.288
  239   1HG   GLN  31          1HG       GLN  31   0.768 -11.345 -11.713
  240   2HG   GLN  31          2HG       GLN  31  -0.361 -10.065 -12.106
  241   1HE2  GLN  31          1HE2      GLN  31   1.695  -8.457 -14.538
  242   2HE2  GLN  31          2HE2      GLN  31   0.508  -8.190 -13.304
  243    H    GLN  32           H        GLN  32  -1.281  -8.289  -7.638
  244    HA   GLN  32           HA       GLN  32   0.604  -9.307  -5.911
  245   1HB   GLN  32          1HB       GLN  32   1.314  -7.125  -4.783
  246   2HB   GLN  32          2HB       GLN  32   2.068  -7.463  -6.328
  247   1HG   GLN  32          1HG       GLN  32  -0.139  -6.083  -7.185
  248   2HG   GLN  32          2HG       GLN  32   0.076  -5.347  -5.610
  249   1HE2  GLN  32          1HE2      GLN  32   2.644  -4.653  -8.721
  250   2HE2  GLN  32          2HE2      GLN  32   1.386  -5.842  -8.780
  251    H    TYR  33           H        TYR  33  -2.117  -7.023  -6.529
  252    HA   TYR  33           HA       TYR  33  -3.413  -8.421  -4.294
  253   1HB   TYR  33          1HB       TYR  33  -4.074  -6.024  -6.109
  254   2HB   TYR  33          2HB       TYR  33  -5.262  -6.700  -5.011
  255    HD1  TYR  33           HD1      TYR  33  -2.118  -4.795  -5.249
  256    HD2  TYR  33           HD2      TYR  33  -5.105  -6.343  -2.607
  257    HE1  TYR  33           HE1      TYR  33  -1.239  -3.315  -3.377
  258    HE2  TYR  33           HE2      TYR  33  -4.217  -4.859  -0.744
  259    HH   TYR  33           HH       TYR  33  -1.847  -2.398  -1.376
  260    H    GLY  34           H        GLY  34  -2.687 -10.085  -6.395
  261   1HA   GLY  34          1HA       GLY  34  -4.535 -10.219  -8.514
  262   2HA   GLY  34          2HA       GLY  34  -3.490 -11.505  -7.942
  263    H    LYS  35           H        LYS  35  -4.961 -10.773  -5.134
  264    HA   LYS  35           HA       LYS  35  -7.007 -12.739  -5.378
  265   1HB   LYS  35          1HB       LYS  35  -6.228 -10.823  -3.165
  266   2HB   LYS  35          2HB       LYS  35  -7.523 -11.994  -3.018
  267   1HG   LYS  35          1HG       LYS  35  -5.926 -13.844  -3.509
  268   2HG   LYS  35          2HG       LYS  35  -4.627 -12.685  -3.706
  269   1HD   LYS  35          1HD       LYS  35  -4.927 -11.943  -1.335
  270   2HD   LYS  35          2HD       LYS  35  -6.230 -13.098  -1.138
  271   1HE   LYS  35          1HE       LYS  35  -4.650 -14.972  -1.645
  272   2HE   LYS  35          2HE       LYS  35  -3.345 -13.819  -1.850
  273   1HZ   LYS  35          1HZ       LYS  35  -4.886 -14.206   0.624
  274   2HZ   LYS  35          2HZ       LYS  35  -3.367 -14.744   0.353
  275   3HZ   LYS  35          3HZ       LYS  35  -3.663 -13.140   0.431
  276    H    GLY  36           H        GLY  36  -7.774 -11.308  -7.431
  277   1HA   GLY  36          1HA       GLY  36  -9.803 -10.727  -8.204
  278   2HA   GLY  36          2HA       GLY  36 -10.441 -10.995  -6.594
  279    H    ALA  37           H        ALA  37  -7.879  -8.647  -7.594
  280    HA   ALA  37           HA       ALA  37  -9.677  -6.502  -6.712
  281   1HB   ALA  37          1HB       ALA  37  -7.482  -6.829  -5.518
  282   2HB   ALA  37          2HB       ALA  37  -6.653  -6.463  -7.051
  283   3HB   ALA  37          3HB       ALA  37  -7.668  -5.226  -6.271
  284    H    GLY  38           H        GLY  38  -9.361  -4.377  -7.985
  285   1HA   GLY  38          1HA       GLY  38  -8.184  -4.768 -10.642
  286   2HA   GLY  38          2HA       GLY  38  -9.842  -4.208 -10.547
  287    H    GLY  39           H        GLY  39  -8.670  -2.321 -11.754
  288   1HA   GLY  39          1HA       GLY  39  -8.178  -0.107 -10.118
  289   2HA   GLY  39          2HA       GLY  39  -6.636  -0.867 -10.459
  290    H    TYR  40           H        TYR  40  -6.754   1.590 -11.461
  291    HA   TYR  40           HA       TYR  40  -6.581   1.024 -14.268
  292   1HB   TYR  40          1HB       TYR  40  -8.045   3.232 -14.590
  293   2HB   TYR  40          2HB       TYR  40  -8.883   1.717 -14.316
  294    HD1  TYR  40           HD1      TYR  40  -7.465   4.612 -12.395
  295    HD2  TYR  40           HD2      TYR  40 -10.503   1.610 -12.646
  296    HE1  TYR  40           HE1      TYR  40  -8.632   5.615 -10.373
  297    HE2  TYR  40           HE2      TYR  40 -11.660   2.623 -10.622
  298    HH   TYR  40           HH       TYR  40 -11.489   4.054  -8.982
  299    H    CYS  41           H        CYS  41  -5.957   3.276 -15.425
  300    HA   CYS  41           HA       CYS  41  -3.727   4.169 -13.790
  301   1HB   CYS  41          1HB       CYS  41  -3.390   3.167 -16.076
  302   2HB   CYS  41          2HB       CYS  41  -4.167   4.586 -16.750
  303    H    TYR  42           H        TYR  42  -4.301   5.959 -12.558
  304    HA   TYR  42           HA       TYR  42  -5.980   8.013 -13.680
  305   1HB   TYR  42          1HB       TYR  42  -4.942   7.069 -11.142
  306   2HB   TYR  42          2HB       TYR  42  -4.342   8.705 -11.335
  307    HD1  TYR  42           HD1      TYR  42  -7.618   7.061 -12.174
  308    HD2  TYR  42           HD2      TYR  42  -5.592  10.183 -10.064
  309    HE1  TYR  42           HE1      TYR  42  -9.851   7.980 -11.378
  310    HE2  TYR  42           HE2      TYR  42  -7.831  11.092  -9.275
  311    HH   TYR  42           HH       TYR  42 -10.859   9.466 -10.186
  312    H    ALA  43           H        ALA  43  -4.644  10.363 -12.710
  313    HA   ALA  43           HA       ALA  43  -3.916  10.992 -15.268
  314   1HB   ALA  43          1HB       ALA  43  -3.239  12.398 -12.652
  315   2HB   ALA  43          2HB       ALA  43  -3.142  13.141 -14.266
  316   3HB   ALA  43          3HB       ALA  43  -4.715  12.614 -13.622
  317    H    PHE  44           H        PHE  44  -1.711  10.369 -12.417
  318    HA   PHE  44           HA       PHE  44  -0.327   8.669 -14.245
  319   1HB   PHE  44          1HB       PHE  44   0.893  11.168 -12.961
  320   2HB   PHE  44          2HB       PHE  44   1.918   9.802 -13.355
  321    HD1  PHE  44           HD1      PHE  44   1.391   8.887 -15.886
  322    HD2  PHE  44           HD2      PHE  44   0.899  12.868 -14.502
  323    HE1  PHE  44           HE1      PHE  44   1.613   9.733 -18.239
  324    HE2  PHE  44           HE2      PHE  44   1.120  13.715 -16.855
  325    HZ   PHE  44           HZ       PHE  44   1.475  12.136 -18.695
  326    H    ALA  45           H        ALA  45  -1.732   7.545 -12.336
  327    HA   ALA  45           HA       ALA  45   0.435   6.037 -11.423
  328   1HB   ALA  45          1HB       ALA  45  -0.959   7.789  -9.401
  329   2HB   ALA  45          2HB       ALA  45  -0.357   6.185  -8.919
  330   3HB   ALA  45          3HB       ALA  45   0.771   7.403  -9.559
  331    H    CYS  46           H        CYS  46  -0.437   4.061 -10.115
  332    HA   CYS  46           HA       CYS  46  -2.778   3.307 -11.650
  333   1HB   CYS  46          1HB       CYS  46  -0.699   1.672 -10.187
  334   2HB   CYS  46          2HB       CYS  46  -2.103   0.983 -10.979
  335    H    TRP  47           H        TRP  47  -4.678   3.760 -10.554
  336    HA   TRP  47           HA       TRP  47  -4.666   3.554  -7.652
  337   1HB   TRP  47          1HB       TRP  47  -5.550   5.588  -8.537
  338   2HB   TRP  47          2HB       TRP  47  -6.610   4.730  -9.637
  339    HD1  TRP  47           HD1      TRP  47  -8.588   3.141  -8.242
  340    HE1  TRP  47           HE1      TRP  47 -10.059   3.747  -6.137
  341    HE3  TRP  47           HE3      TRP  47  -5.574   6.873  -6.557
  342    HZ2  TRP  47           HZ2      TRP  47  -9.803   5.677  -4.050
  343    HZ3  TRP  47           HZ3      TRP  47  -6.257   8.068  -4.479
  344    HH2  TRP  47           HH2      TRP  47  -8.290   7.523  -3.236
  345    H    CYS  48           H        CYS  48  -5.347   1.692  -6.683
  346    HA   CYS  48           HA       CYS  48  -6.842  -0.177  -8.349
  347   1HB   CYS  48          1HB       CYS  48  -5.083  -0.502  -5.933
  348   2HB   CYS  48          2HB       CYS  48  -6.250  -1.738  -6.355
  349    H    THR  49           H        THR  49  -8.800  -1.242  -7.352
  350    HA   THR  49           HA       THR  49 -10.172   0.450  -5.457
  351    HB   THR  49           HB       THR  49 -10.103   1.944  -7.409
  352    HG1  THR  49           HG1      THR  49 -12.158   1.886  -6.388
  353   1HG2  THR  49          1HG2      THR  49 -10.510  -0.582  -8.875
  354   2HG2  THR  49          2HG2      THR  49 -11.725   0.641  -9.316
  355   3HG2  THR  49          3HG2      THR  49  -9.992   1.004  -9.497
  356    H    HIS  50           H        HIS  50  -9.596  -2.363  -5.543
  357    HA   HIS  50           HA       HIS  50 -12.256  -2.986  -4.812
  358   1HB   HIS  50          1HB       HIS  50 -12.047  -3.507  -7.361
  359   2HB   HIS  50          2HB       HIS  50 -11.117  -4.898  -6.839
  360    HD1  HIS  50           HD1      HIS  50 -14.415  -3.386  -5.554
  361    HD2  HIS  50           HD2      HIS  50 -12.793  -7.039  -6.829
  362    HE1  HIS  50           HE1      HIS  50 -16.275  -5.115  -5.314
  363    H    LEU  51           H        LEU  51 -10.443  -2.707  -2.999
  364    HA   LEU  51           HA       LEU  51  -8.764  -5.105  -2.895
  365   1HB   LEU  51          1HB       LEU  51  -8.380  -2.461  -1.490
  366   2HB   LEU  51          2HB       LEU  51  -7.257  -3.806  -1.535
  367    HG   LEU  51           HG       LEU  51  -8.121  -2.432  -4.075
  368   1HD1  LEU  51          1HD1      LEU  51  -7.325  -0.679  -2.543
  369   2HD1  LEU  51          2HD1      LEU  51  -5.809  -1.582  -2.311
  370   3HD1  LEU  51          3HD1      LEU  51  -6.219  -0.930  -3.915
  371   1HD2  LEU  51          1HD2      LEU  51  -6.748  -4.701  -3.783
  372   2HD2  LEU  51          2HD2      LEU  51  -6.424  -3.543  -5.095
  373   3HD2  LEU  51          3HD2      LEU  51  -5.397  -3.550  -3.641
  374    H    TYR  52           H        TYR  52  -8.128  -5.528  -0.387
  375    HA   TYR  52           HA       TYR  52 -10.678  -5.607   1.069
  376   1HB   TYR  52          1HB       TYR  52  -8.757  -7.232   2.340
  377   2HB   TYR  52          2HB       TYR  52  -9.948  -7.819   1.196
  378    HD1  TYR  52           HD1      TYR  52  -9.325  -8.095  -1.221
  379    HD2  TYR  52           HD2      TYR  52  -6.428  -7.128   1.774
  380    HE1  TYR  52           HE1      TYR  52  -7.455  -8.814  -2.787
  381    HE2  TYR  52           HE2      TYR  52  -4.568  -7.849   0.199
  382    HH   TYR  52           HH       TYR  52  -4.057  -8.550  -1.777
  383    H    GLU  53           H        GLU  53  -9.810  -6.017   3.647
  384    HA   GLU  53           HA       GLU  53  -9.383  -3.450   4.475
  385   1HB   GLU  53          1HB       GLU  53 -10.316  -5.345   5.844
  386   2HB   GLU  53          2HB       GLU  53  -8.701  -6.005   5.997
  387   1HG   GLU  53          1HG       GLU  53  -7.923  -4.007   7.186
  388   2HG   GLU  53          2HG       GLU  53  -9.434  -3.175   6.876
  389    H    GLN  54           H        GLN  54  -7.086  -5.905   3.417
  390    HA   GLN  54           HA       GLN  54  -4.883  -4.427   4.545
  391   1HB   GLN  54          1HB       GLN  54  -5.340  -7.146   3.885
  392   2HB   GLN  54          2HB       GLN  54  -4.123  -6.600   2.748
  393   1HG   GLN  54          1HG       GLN  54  -3.040  -5.496   4.939
  394   2HG   GLN  54          2HG       GLN  54  -3.985  -6.722   5.763
  395   1HE2  GLN  54          1HE2      GLN  54  -2.102  -9.492   4.742
  396   2HE2  GLN  54          2HE2      GLN  54  -3.602  -8.911   5.383
  397    H    ALA  55           H        ALA  55  -6.682  -3.265   2.389
  398    HA   ALA  55           HA       ALA  55  -5.026  -2.818   0.166
  399   1HB   ALA  55          1HB       ALA  55  -7.434  -2.183   0.375
  400   2HB   ALA  55          2HB       ALA  55  -6.972  -0.928   1.549
  401   3HB   ALA  55          3HB       ALA  55  -6.401  -0.825  -0.134
  402    H    ILE  56           H        ILE  56  -2.830  -2.557   0.695
  403    HA   ILE  56           HA       ILE  56  -2.249  -0.134   2.229
  404    HB   ILE  56           HB       ILE  56  -0.269  -2.103   1.102
  405   1HG1  ILE  56          1HG1      ILE  56  -1.855  -3.360   2.477
  406   2HG1  ILE  56          2HG1      ILE  56  -0.280  -3.265   3.238
  407   1HG2  ILE  56          1HG2      ILE  56  -0.153  -0.003   3.279
  408   2HG2  ILE  56          2HG2      ILE  56   1.109  -1.227   3.004
  409   3HG2  ILE  56          3HG2      ILE  56   0.736  -0.034   1.737
  410   1HD1  ILE  56          1HD1      ILE  56  -2.658  -1.465   3.900
  411   2HD1  ILE  56          2HD1      ILE  56  -2.098  -2.845   4.875
  412   3HD1  ILE  56          3HD1      ILE  56  -1.063  -1.409   4.689
  413    H    VAL  57           H        VAL  57  -1.238   1.672   1.272
  414    HA   VAL  57           HA       VAL  57  -1.161   1.626  -1.646
  415    HB   VAL  57           HB       VAL  57  -3.237   2.432  -1.690
  416   1HG1  VAL  57          1HG1      VAL  57  -2.914   3.203   1.227
  417   2HG1  VAL  57          2HG1      VAL  57  -4.405   3.444   0.286
  418   3HG1  VAL  57          3HG1      VAL  57  -3.785   1.799   0.567
  419   1HG2  VAL  57          1HG2      VAL  57  -1.900   4.422  -2.239
  420   2HG2  VAL  57          2HG2      VAL  57  -3.438   4.864  -1.461
  421   3HG2  VAL  57          3HG2      VAL  57  -1.921   4.912  -0.528
  422    H    TRP  58           H        TRP  58   0.089   3.446  -2.548
  423    HA   TRP  58           HA       TRP  58   2.463   3.290  -1.107
  424   1HB   TRP  58          1HB       TRP  58   2.435   3.336  -3.506
  425   2HB   TRP  58          2HB       TRP  58   1.686   4.920  -3.527
  426    HD1  TRP  58           HD1      TRP  58   5.103   3.261  -3.142
  427    HE1  TRP  58           HE1      TRP  58   7.056   5.034  -3.123
  428    HE3  TRP  58           HE3      TRP  58   2.096   7.348  -2.797
  429    HZ2  TRP  58           HZ2      TRP  58   7.124   7.884  -2.969
  430    HZ3  TRP  58           HZ3      TRP  58   3.186   9.588  -2.718
  431    HH2  TRP  58           HH2      TRP  58   5.610   9.893  -2.798
  432    HA   PRO  59           HA       PRO  59   4.117   4.080  -0.796
  433   1HB   PRO  59          1HB       PRO  59   5.875   4.890   1.134
  434   2HB   PRO  59          2HB       PRO  59   5.916   5.489  -0.514
  435   1HG   PRO  59          1HG       PRO  59   4.952   6.847   1.929
  436   2HG   PRO  59          2HG       PRO  59   5.395   7.548   0.385
  437   1HD   PRO  59          1HD       PRO  59   2.737   7.114   1.372
  438   2HD   PRO  59          2HD       PRO  59   3.181   7.707  -0.216
  439    H    LEU  60           H        LEU  60   5.531   2.720   1.111
  440    HA   LEU  60           HA       LEU  60   3.666   1.900   3.103
  441   1HB   LEU  60          1HB       LEU  60   6.661   1.619   2.849
  442   2HB   LEU  60          2HB       LEU  60   5.720   0.926   4.154
  443    HG   LEU  60           HG       LEU  60   5.796  -0.894   2.815
  444   1HD1  LEU  60          1HD1      LEU  60   3.412  -0.242   2.984
  445   2HD1  LEU  60          2HD1      LEU  60   3.545   0.561   1.402
  446   3HD1  LEU  60          3HD1      LEU  60   3.776  -1.200   1.529
  447   1HD2  LEU  60          1HD2      LEU  60   7.248   0.300   1.154
  448   2HD2  LEU  60          2HD2      LEU  60   6.182  -0.945   0.462
  449   3HD2  LEU  60          3HD2      LEU  60   5.765   0.777   0.292
  450    HA   PRO  61           HA       PRO  61   4.430   5.087   6.006
  451   1HB   PRO  61          1HB       PRO  61   3.863   3.803   8.350
  452   2HB   PRO  61          2HB       PRO  61   2.631   4.493   7.313
  453   1HG   PRO  61          1HG       PRO  61   3.360   1.653   7.689
  454   2HG   PRO  61          2HG       PRO  61   1.893   2.328   7.010
  455   1HD   PRO  61          1HD       PRO  61   4.071   1.152   5.562
  456   2HD   PRO  61          2HD       PRO  61   2.658   1.931   4.879
  457    H    ASN  62           H        ASN  62   5.877   1.954   6.808
  458    HA   ASN  62           HA       ASN  62   7.597   3.494   8.575
  459   1HB   ASN  62          1HB       ASN  62   7.876   1.312   9.807
  460   2HB   ASN  62          2HB       ASN  62   6.201   1.818   9.726
  461   1HD2  ASN  62          1HD2      ASN  62   6.923  -1.841   8.721
  462   2HD2  ASN  62          2HD2      ASN  62   7.604  -0.831   9.953
  463    H    LYS  63           H        LYS  63   7.653   2.334   5.517
  464    HA   LYS  63           HA       LYS  63  10.483   2.180   5.475
  465   1HB   LYS  63          1HB       LYS  63  10.606  -0.124   4.490
  466   2HB   LYS  63          2HB       LYS  63  10.250  -0.069   6.205
  467   1HG   LYS  63          1HG       LYS  63   7.980  -0.669   5.896
  468   2HG   LYS  63          2HG       LYS  63   7.956  -0.127   4.229
  469   1HD   LYS  63          1HD       LYS  63   9.714  -2.453   5.094
  470   2HD   LYS  63          2HD       LYS  63   8.027  -2.699   4.691
  471   1HE   LYS  63          1HE       LYS  63   8.447  -1.607   2.445
  472   2HE   LYS  63          2HE       LYS  63  10.147  -1.488   2.853
  473   1HZ   LYS  63          1HZ       LYS  63   9.968  -3.971   3.250
  474   2HZ   LYS  63          2HZ       LYS  63   8.566  -3.903   2.416
  475   3HZ   LYS  63          3HZ       LYS  63   9.964  -3.455   1.701
  476    H    ARG  64           H        ARG  64   8.973   4.076   4.347
  477    HA   ARG  64           HA       ARG  64   8.230   3.520   1.735
  478   1HB   ARG  64          1HB       ARG  64   8.413   5.960   1.390
  479   2HB   ARG  64          2HB       ARG  64   7.683   5.639   2.950
  480   1HG   ARG  64          1HG       ARG  64  10.005   5.874   3.993
  481   2HG   ARG  64          2HG       ARG  64  10.594   6.392   2.426
  482   1HD   ARG  64          1HD       ARG  64   9.646   8.475   2.616
  483   2HD   ARG  64          2HD       ARG  64   8.155   7.844   3.285
  484    HE   ARG  64           HE       ARG  64  10.415   8.866   4.786
  485   1HH1  ARG  64          2HH1      ARG  64   7.680   6.659   4.921
  486   2HH1  ARG  64          1HH1      ARG  64   7.755   6.467   6.641
  487   1HH2  ARG  64          1HH2      ARG  64  10.433   8.715   7.068
  488   2HH2  ARG  64          2HH2      ARG  64   9.253   7.741   7.879
  489    H    CYS  65           H        CYS  65   9.491   4.549  -0.240
  490    HA   CYS  65           HA       CYS  65  11.852   3.047  -0.411
  491   1HB   CYS  65          1HB       CYS  65  10.127   3.790  -2.231
  492   2HB   CYS  65          2HB       CYS  65  11.148   5.208  -2.372
  493    H    SER  66           H        SER  66  14.026   3.691  -0.247
  494    HA   SER  66           HA       SER  66  14.500   6.113   1.115
  495   1HB   SER  66          1HB       SER  66  16.870   5.416   1.045
  496   2HB   SER  66          2HB       SER  66  15.840   4.087   1.538
  497    HG   SER  66           HG       SER  66  17.402   3.407  -0.048
  498   1HN   NH2  67          1H        SER  66  15.644   4.812  -2.023
  499   2HN   NH2  67          2H        SER  66  15.795   6.333  -2.838
   
  No H/Q in entry =         499
  Start of MODEL   12
    1   1H    LYS   1          1H        LYS   1 -11.944  -1.183  -0.411
    2   2H    LYS   1          2H        LYS   1 -10.808  -2.379  -0.262
    3   3H    LYS   1          3H        LYS   1 -11.559  -1.778   1.086
    4    HA   LYS   1           HA       LYS   1 -10.586   0.310   0.826
    5   1HB   LYS   1          1HB       LYS   1  -9.398  -1.444   2.108
    6   2HB   LYS   1          2HB       LYS   1  -8.527  -1.910   0.662
    7   1HG   LYS   1          1HG       LYS   1  -7.408   0.230   0.522
    8   2HG   LYS   1          2HG       LYS   1  -8.482   0.952   1.704
    9   1HD   LYS   1          1HD       LYS   1  -7.545  -0.382   3.505
   10   2HD   LYS   1          2HD       LYS   1  -6.667  -1.402   2.382
   11   1HE   LYS   1          1HE       LYS   1  -5.164   0.272   3.447
   12   2HE   LYS   1          2HE       LYS   1  -5.234   0.495   1.710
   13   1HZ   LYS   1          1HZ       LYS   1  -6.973   1.984   3.540
   14   2HZ   LYS   1          2HZ       LYS   1  -5.499   2.529   3.097
   15   3HZ   LYS   1          3HZ       LYS   1  -6.660   2.310   1.970
   16    H    GLU   2           H        GLU   2  -9.433   1.844  -0.417
   17    HA   GLU   2           HA       GLU   2  -8.546   0.901  -3.013
   18   1HB   GLU   2          1HB       GLU   2 -10.092   3.500  -2.786
   19   2HB   GLU   2          2HB       GLU   2  -9.714   2.582  -4.229
   20   1HG   GLU   2          1HG       GLU   2 -11.206   0.727  -3.427
   21   2HG   GLU   2          2HG       GLU   2 -11.599   1.670  -2.003
   22    H    GLY   3           H        GLY   3  -6.769   2.217  -3.928
   23   1HA   GLY   3          1HA       GLY   3  -6.669   4.913  -3.548
   24   2HA   GLY   3          2HA       GLY   3  -5.609   4.283  -2.303
   25    H    TYR   4           H        TYR   4  -4.033   5.628  -3.730
   26    HA   TYR   4           HA       TYR   4  -3.106   4.352  -6.103
   27   1HB   TYR   4          1HB       TYR   4  -2.003   6.356  -4.043
   28   2HB   TYR   4          2HB       TYR   4  -1.112   5.941  -5.493
   29    HD1  TYR   4           HD1      TYR   4  -2.452   6.254  -7.767
   30    HD2  TYR   4           HD2      TYR   4  -3.425   8.201  -4.083
   31    HE1  TYR   4           HE1      TYR   4  -3.704   8.062  -9.044
   32    HE2  TYR   4           HE2      TYR   4  -4.671  10.002  -5.372
   33    HH   TYR   4           HH       TYR   4  -4.699   9.990  -8.917
   34    H    LEU   5           H        LEU   5  -2.490   2.190  -5.849
   35    HA   LEU   5           HA       LEU   5  -1.900   1.140  -3.385
   36   1HB   LEU   5          1HB       LEU   5  -1.664  -0.864  -4.456
   37   2HB   LEU   5          2HB       LEU   5  -2.635   0.045  -5.596
   38    HG   LEU   5           HG       LEU   5  -0.034   0.567  -6.427
   39   1HD1  LEU   5          1HD1      LEU   5   0.822  -1.152  -4.893
   40   2HD1  LEU   5          2HD1      LEU   5  -0.227  -2.362  -5.670
   41   3HD1  LEU   5          3HD1      LEU   5   1.079  -1.589  -6.600
   42   1HD2  LEU   5          1HD2      LEU   5  -2.047   0.134  -7.811
   43   2HD2  LEU   5          2HD2      LEU   5  -0.603  -0.749  -8.366
   44   3HD2  LEU   5          3HD2      LEU   5  -1.877  -1.604  -7.462
   45    H    VAL   6           H        VAL   6   0.031   0.483  -2.309
   46    HA   VAL   6           HA       VAL   6   2.502   1.448  -3.579
   47    HB   VAL   6           HB       VAL   6   1.679   2.449  -1.347
   48   1HG1  VAL   6          1HG1      VAL   6   1.126   0.231  -0.327
   49   2HG1  VAL   6          2HG1      VAL   6   2.869  -0.130  -0.274
   50   3HG1  VAL   6          3HG1      VAL   6   2.213   1.232   0.666
   51   1HG2  VAL   6          1HG2      VAL   6   3.969   2.666  -2.397
   52   2HG2  VAL   6          2HG2      VAL   6   3.926   2.814  -0.623
   53   3HG2  VAL   6          3HG2      VAL   6   4.485   1.301  -1.377
   54    H    ASP   7           H        ASP   7   4.403   0.034  -3.330
   55    HA   ASP   7           HA       ASP   7   3.480  -2.629  -3.824
   56   1HB   ASP   7          1HB       ASP   7   5.153  -1.443  -5.293
   57   2HB   ASP   7          2HB       ASP   7   6.289  -1.432  -3.958
   58    H    LYS   8           H        LYS   8   4.673  -4.543  -2.799
   59    HA   LYS   8           HA       LYS   8   4.917  -3.887   0.038
   60   1HB   LYS   8          1HB       LYS   8   3.645  -6.028  -1.511
   61   2HB   LYS   8          2HB       LYS   8   4.610  -6.633  -0.179
   62   1HG   LYS   8          1HG       LYS   8   3.406  -5.257   1.431
   63   2HG   LYS   8          2HG       LYS   8   2.596  -4.368   0.156
   64   1HD   LYS   8          1HD       LYS   8   1.305  -6.320  -0.508
   65   2HD   LYS   8          2HD       LYS   8   2.268  -7.380   0.503
   66   1HE   LYS   8          1HE       LYS   8   0.120  -6.894   1.610
   67   2HE   LYS   8          2HE       LYS   8   1.438  -6.213   2.545
   68   1HZ   LYS   8          1HZ       LYS   8   0.053  -4.601   0.539
   69   2HZ   LYS   8          2HZ       LYS   8  -0.553  -4.759   2.047
   70   3HZ   LYS   8          3HZ       LYS   8   0.923  -4.098   1.826
   71    H    ASN   9           H        ASN   9   6.880  -4.366  -2.616
   72    HA   ASN   9           HA       ASN   9   8.793  -5.919  -1.063
   73   1HB   ASN   9          1HB       ASN   9   7.985  -5.914  -3.904
   74   2HB   ASN   9          2HB       ASN   9   9.722  -5.748  -3.735
   75   1HD2  ASN   9          1HD2      ASN   9  10.300  -8.919  -2.248
   76   2HD2  ASN   9          2HD2      ASN   9  10.840  -7.275  -2.324
   77    H    THR  10           H        THR  10   8.831  -3.539  -3.836
   78    HA   THR  10           HA       THR  10  11.260  -2.377  -2.699
   79    HB   THR  10           HB       THR  10  11.106  -1.250  -5.109
   80    HG1  THR  10           HG1      THR  10   8.924  -1.978  -5.507
   81   1HG2  THR  10          1HG2      THR  10  11.460  -4.282  -4.844
   82   2HG2  THR  10          2HG2      THR  10  12.067  -3.271  -6.176
   83   3HG2  THR  10          3HG2      THR  10  12.741  -3.085  -4.539
   84    H    GLY  11           H        GLY  11   7.939  -1.910  -2.491
   85   1HA   GLY  11          1HA       GLY  11   6.665  -0.186  -1.822
   86   2HA   GLY  11          2HA       GLY  11   8.127   0.550  -1.196
   87    H    CYS  12           H        CYS  12   7.825  -0.287  -4.648
   88    HA   CYS  12           HA       CYS  12   7.821   2.596  -5.182
   89   1HB   CYS  12          1HB       CYS  12   9.861   0.726  -5.697
   90   2HB   CYS  12          2HB       CYS  12   9.121   1.054  -7.251
   91    H    LYS  13           H        LYS  13   7.772   2.160  -8.092
   92    HA   LYS  13           HA       LYS  13   6.416   1.584  -9.769
   93   1HB   LYS  13          1HB       LYS  13   4.711   0.008  -7.823
   94   2HB   LYS  13          2HB       LYS  13   4.704  -0.101  -9.572
   95   1HG   LYS  13          1HG       LYS  13   7.099  -0.865  -9.518
   96   2HG   LYS  13          2HG       LYS  13   7.075  -0.788  -7.768
   97   1HD   LYS  13          1HD       LYS  13   5.039  -2.403  -7.885
   98   2HD   LYS  13          2HD       LYS  13   5.462  -2.641  -9.568
   99   1HE   LYS  13          1HE       LYS  13   7.430  -3.060  -7.270
  100   2HE   LYS  13          2HE       LYS  13   6.461  -4.349  -7.954
  101   1HZ   LYS  13          1HZ       LYS  13   7.459  -3.806 -10.112
  102   2HZ   LYS  13          2HZ       LYS  13   8.435  -2.714  -9.390
  103   3HZ   LYS  13          3HZ       LYS  13   8.563  -4.299  -9.015
  104    H    TYR  14           H        TYR  14   3.326   1.257  -8.732
  105    HA   TYR  14           HA       TYR  14   1.793   2.631  -9.690
  106   1HB   TYR  14          1HB       TYR  14   1.597   4.653  -7.925
  107   2HB   TYR  14          2HB       TYR  14   1.319   3.011  -7.378
  108    HD1  TYR  14           HD1      TYR  14   3.075   1.805  -6.085
  109    HD2  TYR  14           HD2      TYR  14   3.514   5.916  -7.181
  110    HE1  TYR  14           HE1      TYR  14   4.921   2.075  -4.357
  111    HE2  TYR  14           HE2      TYR  14   5.358   6.174  -5.450
  112    HH   TYR  14           HH       TYR  14   6.725   5.100  -4.108
  113    H    GLU  15           H        GLU  15   3.647   3.052 -11.477
  114    HA   GLU  15           HA       GLU  15   3.251   5.847 -11.945
  115   1HB   GLU  15          1HB       GLU  15   5.548   5.563 -10.800
  116   2HB   GLU  15          2HB       GLU  15   6.066   4.734 -12.255
  117   1HG   GLU  15          1HG       GLU  15   5.373   6.764 -13.605
  118   2HG   GLU  15          2HG       GLU  15   4.988   7.589 -12.108
  119    H    CYS  16           H        CYS  16   1.732   4.271 -13.271
  120    HA   CYS  16           HA       CYS  16   2.959   2.793 -15.343
  121   1HB   CYS  16          1HB       CYS  16   0.692   2.455 -16.170
  122   2HB   CYS  16          2HB       CYS  16   0.822   2.122 -14.454
  123    H    LEU  17           H        LEU  17   2.979   3.319 -17.639
  124    HA   LEU  17           HA       LEU  17   3.590   6.041 -18.094
  125   1HB   LEU  17          1HB       LEU  17   3.461   3.554 -19.759
  126   2HB   LEU  17          2HB       LEU  17   3.628   5.114 -20.537
  127    HG   LEU  17           HG       LEU  17   5.762   3.820 -20.106
  128   1HD1  LEU  17          1HD1      LEU  17   5.731   6.209 -20.667
  129   2HD1  LEU  17          2HD1      LEU  17   5.588   6.613 -18.939
  130   3HD1  LEU  17          3HD1      LEU  17   7.055   5.807 -19.546
  131   1HD2  LEU  17          1HD2      LEU  17   5.171   3.036 -17.837
  132   2HD2  LEU  17          2HD2      LEU  17   6.742   3.871 -17.894
  133   3HD2  LEU  17          3HD2      LEU  17   5.313   4.708 -17.242
  134    H    LYS  18           H        LYS  18   2.329   7.705 -18.774
  135    HA   LYS  18           HA       LYS  18   0.575   8.824 -19.513
  136   1HB   LYS  18          1HB       LYS  18  -0.302   6.256 -20.867
  137   2HB   LYS  18          2HB       LYS  18  -0.865   7.875 -21.235
  138   1HG   LYS  18          1HG       LYS  18   1.561   8.509 -21.748
  139   2HG   LYS  18          2HG       LYS  18   1.979   6.817 -21.572
  140   1HD   LYS  18          1HD       LYS  18  -0.115   7.866 -23.535
  141   2HD   LYS  18          2HD       LYS  18   1.549   7.522 -23.965
  142   1HE   LYS  18          1HE       LYS  18   0.859   5.399 -24.410
  143   2HE   LYS  18          2HE       LYS  18   0.768   5.170 -22.675
  144   1HZ   LYS  18          1HZ       LYS  18  -1.515   5.954 -22.769
  145   2HZ   LYS  18          2HZ       LYS  18  -1.424   6.106 -24.392
  146   3HZ   LYS  18          3HZ       LYS  18  -1.304   4.631 -23.702
  147    H    LEU  19           H        LEU  19  -1.780   9.176 -19.095
  148    HA   LEU  19           HA       LEU  19  -2.786   7.324 -17.056
  149   1HB   LEU  19          1HB       LEU  19  -4.273   9.122 -16.390
  150   2HB   LEU  19          2HB       LEU  19  -2.589   9.591 -16.285
  151    HG   LEU  19           HG       LEU  19  -3.763  10.323 -18.858
  152   1HD1  LEU  19          1HD1      LEU  19  -5.017  11.485 -16.356
  153   2HD1  LEU  19          2HD1      LEU  19  -5.214  12.120 -18.007
  154   3HD1  LEU  19          3HD1      LEU  19  -5.829  10.501 -17.596
  155   1HD2  LEU  19          1HD2      LEU  19  -1.607  11.143 -17.978
  156   2HD2  LEU  19          2HD2      LEU  19  -2.737  12.461 -18.373
  157   3HD2  LEU  19          3HD2      LEU  19  -2.479  11.989 -16.676
  158    H    GLY  20           H        GLY  20  -4.921   6.460 -17.252
  159   1HA   GLY  20          1HA       GLY  20  -6.997   6.359 -18.399
  160   2HA   GLY  20          2HA       GLY  20  -6.203   6.869 -19.875
  161    H    ASP  21           H        ASP  21  -3.806   5.072 -19.343
  162    HA   ASP  21           HA       ASP  21  -4.863   2.898 -20.778
  163   1HB   ASP  21          1HB       ASP  21  -2.127   3.344 -19.494
  164   2HB   ASP  21          2HB       ASP  21  -2.492   2.014 -20.575
  165    H    ASN  22           H        ASN  22  -6.410   1.903 -19.246
  166    HA   ASN  22           HA       ASN  22  -5.415   1.410 -16.600
  167   1HB   ASN  22          1HB       ASN  22  -7.820   0.694 -16.177
  168   2HB   ASN  22          2HB       ASN  22  -7.671   2.334 -16.778
  169   1HD2  ASN  22          1HD2      ASN  22  -9.639  -0.576 -18.841
  170   2HD2  ASN  22          2HD2      ASN  22  -8.646  -0.928 -17.467
  171    H    ASP  23           H        ASP  23  -4.204  -0.157 -18.753
  172    HA   ASP  23           HA       ASP  23  -5.319  -2.779 -18.200
  173   1HB   ASP  23          1HB       ASP  23  -4.800  -2.243 -20.566
  174   2HB   ASP  23          2HB       ASP  23  -3.146  -1.854 -20.137
  175    H    TYR  24           H        TYR  24  -2.257  -0.822 -18.155
  176    HA   TYR  24           HA       TYR  24  -0.640  -2.820 -17.041
  177   1HB   TYR  24          1HB       TYR  24  -0.558   0.254 -16.821
  178   2HB   TYR  24          2HB       TYR  24   0.828  -0.801 -16.628
  179    HD1  TYR  24           HD1      TYR  24   0.902  -2.580 -18.821
  180    HD2  TYR  24           HD2      TYR  24  -0.484   1.468 -18.787
  181    HE1  TYR  24           HE1      TYR  24   1.388  -2.385 -21.309
  182    HE2  TYR  24           HE2      TYR  24   0.006   1.649 -21.276
  183    HH   TYR  24           HH       TYR  24   0.577   0.581 -23.076
  184    H    CYS  25           H        CYS  25  -2.815  -0.366 -15.610
  185    HA   CYS  25           HA       CYS  25  -1.895  -0.593 -12.990
  186   1HB   CYS  25          1HB       CYS  25  -3.331   1.221 -13.740
  187   2HB   CYS  25          2HB       CYS  25  -4.642   0.101 -14.048
  188    H    LEU  26           H        LEU  26  -4.741  -2.135 -14.673
  189    HA   LEU  26           HA       LEU  26  -5.496  -3.895 -12.749
  190   1HB   LEU  26          1HB       LEU  26  -5.731  -3.643 -15.635
  191   2HB   LEU  26          2HB       LEU  26  -5.697  -5.322 -15.132
  192    HG   LEU  26           HG       LEU  26  -7.554  -3.327 -13.835
  193   1HD1  LEU  26          1HD1      LEU  26  -8.072  -4.953 -16.338
  194   2HD1  LEU  26          2HD1      LEU  26  -9.316  -4.099 -15.393
  195   3HD1  LEU  26          3HD1      LEU  26  -8.023  -3.178 -16.198
  196   1HD2  LEU  26          1HD2      LEU  26  -7.193  -5.443 -12.657
  197   2HD2  LEU  26          2HD2      LEU  26  -8.858  -5.312 -13.271
  198   3HD2  LEU  26          3HD2      LEU  26  -7.677  -6.342 -14.115
  199    H    ARG  27           H        ARG  27  -2.840  -4.302 -15.176
  200    HA   ARG  27           HA       ARG  27  -2.324  -6.914 -14.611
  201   1HB   ARG  27          1HB       ARG  27  -0.641  -4.620 -15.662
  202   2HB   ARG  27          2HB       ARG  27   0.133  -6.162 -15.354
  203   1HG   ARG  27          1HG       ARG  27  -1.530  -7.297 -16.837
  204   2HG   ARG  27          2HG       ARG  27  -2.314  -5.760 -17.140
  205   1HD   ARG  27          1HD       ARG  27   0.152  -5.004 -17.868
  206   2HD   ARG  27          2HD       ARG  27   0.392  -6.726 -18.083
  207    HE   ARG  27           HE       ARG  27  -1.225  -4.985 -19.759
  208   1HH1  ARG  27          2HH1      ARG  27  -0.758  -8.304 -18.697
  209   2HH1  ARG  27          1HH1      ARG  27  -1.685  -8.986 -19.992
  210   1HH2  ARG  27          1HH2      ARG  27  -2.498  -5.879 -21.439
  211   2HH2  ARG  27          2HH2      ARG  27  -2.624  -7.599 -21.599
  212    H    GLU  28           H        GLU  28  -0.832  -3.916 -13.197
  213    HA   GLU  28           HA       GLU  28   1.054  -5.298 -11.707
  214   1HB   GLU  28          1HB       GLU  28   0.749  -2.718 -12.366
  215   2HB   GLU  28          2HB       GLU  28   0.016  -2.626 -10.777
  216   1HG   GLU  28          1HG       GLU  28   2.221  -4.034 -10.093
  217   2HG   GLU  28          2HG       GLU  28   2.865  -3.258 -11.526
  218    H    CYS  29           H        CYS  29  -2.240  -4.055 -10.909
  219    HA   CYS  29           HA       CYS  29  -2.215  -4.659  -8.216
  220   1HB   CYS  29          1HB       CYS  29  -4.015  -3.594  -9.985
  221   2HB   CYS  29          2HB       CYS  29  -4.771  -5.128  -9.599
  222    H    LYS  30           H        LYS  30  -2.548  -6.672 -11.141
  223    HA   LYS  30           HA       LYS  30  -3.966  -8.763  -9.864
  224   1HB   LYS  30          1HB       LYS  30  -3.470  -7.987 -12.466
  225   2HB   LYS  30          2HB       LYS  30  -2.495  -9.436 -12.320
  226   1HG   LYS  30          1HG       LYS  30  -4.435 -10.734 -11.545
  227   2HG   LYS  30          2HG       LYS  30  -5.426  -9.291 -11.477
  228   1HD   LYS  30          1HD       LYS  30  -4.095 -10.096 -14.083
  229   2HD   LYS  30          2HD       LYS  30  -5.583 -10.873 -13.584
  230   1HE   LYS  30          1HE       LYS  30  -6.705  -8.650 -13.418
  231   2HE   LYS  30          2HE       LYS  30  -5.213  -7.852 -13.875
  232   1HZ   LYS  30          1HZ       LYS  30  -6.666  -9.791 -15.540
  233   2HZ   LYS  30          2HZ       LYS  30  -6.665  -8.170 -15.751
  234   3HZ   LYS  30          3HZ       LYS  30  -5.289  -9.024 -15.966
  235    H    GLN  31           H        GLN  31  -0.543  -7.935 -10.327
  236    HA   GLN  31           HA       GLN  31   0.150 -10.550  -9.255
  237   1HB   GLN  31          1HB       GLN  31   1.889  -8.494 -10.687
  238   2HB   GLN  31          2HB       GLN  31   2.451 -10.047 -10.102
  239   1HG   GLN  31          1HG       GLN  31   0.767 -11.193 -11.578
  240   2HG   GLN  31          2HG       GLN  31   0.253  -9.631 -12.185
  241   1HE2  GLN  31          1HE2      GLN  31   2.625 -11.025 -14.633
  242   2HE2  GLN  31          2HE2      GLN  31   1.069 -11.403 -13.973
  243    H    GLN  32           H        GLN  32  -0.972  -8.500  -7.498
  244    HA   GLN  32           HA       GLN  32   0.918  -9.288  -5.574
  245   1HB   GLN  32          1HB       GLN  32   1.271  -7.031  -4.537
  246   2HB   GLN  32          2HB       GLN  32   2.035  -7.197  -6.105
  247   1HG   GLN  32          1HG       GLN  32  -0.130  -6.149  -7.093
  248   2HG   GLN  32          2HG       GLN  32  -0.552  -5.730  -5.445
  249   1HE2  GLN  32          1HE2      GLN  32   2.024  -3.499  -7.596
  250   2HE2  GLN  32          2HE2      GLN  32   1.136  -4.853  -8.211
  251    H    TYR  33           H        TYR  33  -1.994  -7.379  -6.458
  252    HA   TYR  33           HA       TYR  33  -3.266  -8.450  -4.029
  253   1HB   TYR  33          1HB       TYR  33  -3.607  -5.855  -5.654
  254   2HB   TYR  33          2HB       TYR  33  -4.742  -6.330  -4.408
  255    HD1  TYR  33           HD1      TYR  33  -3.050  -7.286  -2.228
  256    HD2  TYR  33           HD2      TYR  33  -2.448  -3.990  -4.889
  257    HE1  TYR  33           HE1      TYR  33  -1.608  -6.131  -0.482
  258    HE2  TYR  33           HE2      TYR  33  -1.006  -2.846  -3.134
  259    HH   TYR  33           HH       TYR  33   0.037  -3.090  -1.228
  260    H    GLY  34           H        GLY  34  -2.953  -9.554  -6.873
  261   1HA   GLY  34          1HA       GLY  34  -5.495  -9.403  -8.123
  262   2HA   GLY  34          2HA       GLY  34  -4.244 -10.599  -8.396
  263    H    LYS  35           H        LYS  35  -6.782  -9.661  -5.953
  264    HA   LYS  35           HA       LYS  35  -7.391 -12.526  -5.805
  265   1HB   LYS  35          1HB       LYS  35  -7.297 -10.499  -3.821
  266   2HB   LYS  35          2HB       LYS  35  -8.986 -10.910  -4.034
  267   1HG   LYS  35          1HG       LYS  35  -6.805 -13.016  -3.686
  268   2HG   LYS  35          2HG       LYS  35  -7.693 -12.337  -2.336
  269   1HD   LYS  35          1HD       LYS  35  -9.852 -13.067  -3.476
  270   2HD   LYS  35          2HD       LYS  35  -8.881 -13.873  -4.693
  271   1HE   LYS  35          1HE       LYS  35  -8.720 -14.458  -1.696
  272   2HE   LYS  35          2HE       LYS  35  -9.650 -15.408  -2.838
  273   1HZ   LYS  35          1HZ       LYS  35  -7.511 -15.689  -4.069
  274   2HZ   LYS  35          2HZ       LYS  35  -6.742 -15.056  -2.774
  275   3HZ   LYS  35          3HZ       LYS  35  -7.589 -16.445  -2.622
  276    H    GLY  36           H        GLY  36  -7.836 -10.771  -8.180
  277   1HA   GLY  36          1HA       GLY  36  -9.595 -10.523  -9.650
  278   2HA   GLY  36          2HA       GLY  36 -10.740 -10.899  -8.378
  279    H    ALA  37           H        ALA  37  -8.146  -8.590  -7.702
  280    HA   ALA  37           HA       ALA  37 -10.070  -6.522  -7.248
  281   1HB   ALA  37          1HB       ALA  37  -8.079  -6.899  -5.810
  282   2HB   ALA  37          2HB       ALA  37  -7.025  -6.488  -7.184
  283   3HB   ALA  37          3HB       ALA  37  -8.108  -5.256  -6.493
  284    H    GLY  38           H        GLY  38  -9.473  -4.216  -8.159
  285   1HA   GLY  38          1HA       GLY  38  -8.716  -4.440 -10.997
  286   2HA   GLY  38          2HA       GLY  38 -10.267  -3.754 -10.557
  287    H    GLY  39           H        GLY  39  -8.789  -2.032 -11.935
  288   1HA   GLY  39          1HA       GLY  39  -8.292   0.131 -10.213
  289   2HA   GLY  39          2HA       GLY  39  -6.762  -0.631 -10.601
  290    H    TYR  40           H        TYR  40  -6.972   1.909 -11.489
  291    HA   TYR  40           HA       TYR  40  -6.731   1.378 -14.318
  292   1HB   TYR  40          1HB       TYR  40  -8.049   3.710 -14.542
  293   2HB   TYR  40          2HB       TYR  40  -8.967   2.223 -14.408
  294    HD1  TYR  40           HD1      TYR  40  -7.698   5.132 -12.467
  295    HD2  TYR  40           HD2      TYR  40 -10.426   1.838 -12.568
  296    HE1  TYR  40           HE1      TYR  40  -8.884   6.042 -10.410
  297    HE2  TYR  40           HE2      TYR  40 -11.603   2.759 -10.510
  298    HH   TYR  40           HH       TYR  40 -11.522   4.226  -8.900
  299    H    CYS  41           H        CYS  41  -5.837   3.484 -15.437
  300    HA   CYS  41           HA       CYS  41  -3.631   4.229 -13.712
  301   1HB   CYS  41          1HB       CYS  41  -4.060   4.033 -16.654
  302   2HB   CYS  41          2HB       CYS  41  -2.898   5.214 -16.083
  303    H    TYR  42           H        TYR  42  -4.235   6.020 -12.455
  304    HA   TYR  42           HA       TYR  42  -5.486   8.288 -13.715
  305   1HB   TYR  42          1HB       TYR  42  -4.818   7.214 -11.092
  306   2HB   TYR  42          2HB       TYR  42  -4.041   8.780 -11.212
  307    HD1  TYR  42           HD1      TYR  42  -6.060  10.255 -12.878
  308    HD2  TYR  42           HD2      TYR  42  -6.564   7.596  -9.563
  309    HE1  TYR  42           HE1      TYR  42  -8.262  11.385 -12.294
  310    HE2  TYR  42           HE2      TYR  42  -8.763   8.735  -8.992
  311    HH   TYR  42           HH       TYR  42 -10.177  10.274  -9.512
  312    H    ALA  43           H        ALA  43  -3.969  10.392 -12.528
  313    HA   ALA  43           HA       ALA  43  -2.051  10.894 -14.441
  314   1HB   ALA  43          1HB       ALA  43  -2.324  11.940 -11.594
  315   2HB   ALA  43          2HB       ALA  43  -1.319  12.681 -12.862
  316   3HB   ALA  43          3HB       ALA  43  -3.088  12.618 -13.052
  317    H    PHE  44           H        PHE  44  -0.822   8.895 -14.685
  318    HA   PHE  44           HA       PHE  44   1.001   7.684 -14.390
  319   1HB   PHE  44          1HB       PHE  44   1.918  10.157 -12.805
  320   2HB   PHE  44          2HB       PHE  44   2.974   9.025 -13.630
  321    HD1  PHE  44           HD1      PHE  44   2.616   8.813 -16.212
  322    HD2  PHE  44           HD2      PHE  44   1.265  12.099 -13.892
  323    HE1  PHE  44           HE1      PHE  44   2.527  10.235 -18.278
  324    HE2  PHE  44           HE2      PHE  44   1.176  13.521 -15.958
  325    HZ   PHE  44           HZ       PHE  44   1.809  12.573 -18.126
  326    H    ALA  45           H        ALA  45  -1.002   7.130 -12.379
  327    HA   ALA  45           HA       ALA  45   0.862   5.366 -11.187
  328   1HB   ALA  45          1HB       ALA  45  -0.540   7.415  -9.453
  329   2HB   ALA  45          2HB       ALA  45  -0.060   5.827  -8.809
  330   3HB   ALA  45          3HB       ALA  45   1.174   6.938  -9.451
  331    H    CYS  46           H        CYS  46  -0.423   3.679  -9.803
  332    HA   CYS  46           HA       CYS  46  -2.809   3.170 -11.391
  333   1HB   CYS  46          1HB       CYS  46  -1.231   1.433 -11.605
  334   2HB   CYS  46          2HB       CYS  46  -0.908   1.387  -9.882
  335    H    TRP  47           H        TRP  47  -4.614   4.023 -10.346
  336    HA   TRP  47           HA       TRP  47  -4.896   3.678  -7.492
  337   1HB   TRP  47          1HB       TRP  47  -5.761   5.684  -8.531
  338   2HB   TRP  47          2HB       TRP  47  -6.761   4.742  -9.619
  339    HD1  TRP  47           HD1      TRP  47  -8.742   3.172  -8.233
  340    HE1  TRP  47           HE1      TRP  47 -10.284   3.807  -6.187
  341    HE3  TRP  47           HE3      TRP  47  -5.854   7.015  -6.576
  342    HZ2  TRP  47           HZ2      TRP  47 -10.124   5.800  -4.151
  343    HZ3  TRP  47           HZ3      TRP  47  -6.618   8.253  -4.553
  344    HH2  TRP  47           HH2      TRP  47  -8.674   7.701  -3.350
  345    H    CYS  48           H        CYS  48  -5.440   1.708  -6.663
  346    HA   CYS  48           HA       CYS  48  -6.936  -0.095  -8.405
  347   1HB   CYS  48          1HB       CYS  48  -5.071  -0.510  -6.098
  348   2HB   CYS  48          2HB       CYS  48  -6.295  -1.719  -6.436
  349    H    THR  49           H        THR  49  -8.887  -1.167  -7.490
  350    HA   THR  49           HA       THR  49 -10.154   0.390  -5.383
  351    HB   THR  49           HB       THR  49 -10.410   1.896  -7.273
  352    HG1  THR  49           HG1      THR  49 -12.446   1.702  -6.333
  353   1HG2  THR  49          1HG2      THR  49 -10.809  -0.675  -8.775
  354   2HG2  THR  49          2HG2      THR  49 -11.858   0.684  -9.247
  355   3HG2  THR  49          3HG2      THR  49 -10.089   0.856  -9.329
  356    H    HIS  50           H        HIS  50  -9.473  -2.359  -5.365
  357    HA   HIS  50           HA       HIS  50 -11.997  -2.929  -4.284
  358   1HB   HIS  50          1HB       HIS  50 -11.365  -4.135  -6.899
  359   2HB   HIS  50          2HB       HIS  50 -11.830  -5.297  -5.671
  360    HD1  HIS  50           HD1      HIS  50 -14.114  -4.129  -4.203
  361    HD2  HIS  50           HD2      HIS  50 -13.583  -3.439  -8.306
  362    HE1  HIS  50           HE1      HIS  50 -16.404  -3.476  -5.120
  363    H    LEU  51           H        LEU  51 -10.017  -2.597  -2.728
  364    HA   LEU  51           HA       LEU  51  -8.361  -5.014  -2.664
  365   1HB   LEU  51          1HB       LEU  51  -7.808  -2.311  -1.439
  366   2HB   LEU  51          2HB       LEU  51  -6.713  -3.677  -1.522
  367    HG   LEU  51           HG       LEU  51  -7.799  -2.410  -4.033
  368   1HD1  LEU  51          1HD1      LEU  51  -6.811  -0.624  -2.622
  369   2HD1  LEU  51          2HD1      LEU  51  -5.281  -1.535  -2.592
  370   3HD1  LEU  51          3HD1      LEU  51  -5.916  -0.910  -4.133
  371   1HD2  LEU  51          1HD2      LEU  51  -5.356  -4.076  -3.385
  372   2HD2  LEU  51          2HD2      LEU  51  -6.750  -4.521  -4.398
  373   3HD2  LEU  51          3HD2      LEU  51  -5.619  -3.259  -4.944
  374    H    TYR  52           H        TYR  52  -7.662  -5.688  -0.360
  375    HA   TYR  52           HA       TYR  52  -9.773  -5.049   1.578
  376   1HB   TYR  52          1HB       TYR  52  -8.175  -6.972   2.717
  377   2HB   TYR  52          2HB       TYR  52  -9.491  -7.391   1.638
  378    HD1  TYR  52           HD1      TYR  52  -5.873  -6.394   1.423
  379    HD2  TYR  52           HD2      TYR  52  -9.025  -8.856  -0.097
  380    HE1  TYR  52           HE1      TYR  52  -4.232  -7.541  -0.144
  381    HE2  TYR  52           HE2      TYR  52  -7.373  -9.995  -1.659
  382    HH   TYR  52           HH       TYR  52  -5.340 -10.088  -2.366
  383    H    GLU  53           H        GLU  53  -8.595  -5.287   3.975
  384    HA   GLU  53           HA       GLU  53  -7.325  -2.801   4.097
  385   1HB   GLU  53          1HB       GLU  53  -7.169  -3.285   6.543
  386   2HB   GLU  53          2HB       GLU  53  -8.772  -3.578   5.902
  387   1HG   GLU  53          1HG       GLU  53  -6.953  -5.937   5.796
  388   2HG   GLU  53          2HG       GLU  53  -7.335  -5.387   7.416
  389    H    GLN  54           H        GLN  54  -6.154  -6.013   3.540
  390    HA   GLN  54           HA       GLN  54  -3.611  -5.592   4.736
  391   1HB   GLN  54          1HB       GLN  54  -4.785  -7.742   2.940
  392   2HB   GLN  54          2HB       GLN  54  -3.086  -7.749   3.367
  393   1HG   GLN  54          1HG       GLN  54  -3.664  -7.787   5.782
  394   2HG   GLN  54          2HG       GLN  54  -5.370  -7.690   5.396
  395   1HE2  GLN  54          1HE2      GLN  54  -5.250 -11.182   5.890
  396   2HE2  GLN  54          2HE2      GLN  54  -5.556  -9.642   6.620
  397    H    ALA  55           H        ALA  55  -5.097  -4.325   1.994
  398    HA   ALA  55           HA       ALA  55  -2.592  -4.091   0.526
  399   1HB   ALA  55          1HB       ALA  55  -4.811  -4.503  -0.609
  400   2HB   ALA  55          2HB       ALA  55  -5.322  -2.885  -0.068
  401   3HB   ALA  55          3HB       ALA  55  -3.947  -3.057  -1.186
  402    H    ILE  56           H        ILE  56  -1.403  -2.172   0.377
  403    HA   ILE  56           HA       ILE  56  -2.341  -0.019   2.143
  404    HB   ILE  56           HB       ILE  56   0.504  -0.878   1.603
  405   1HG1  ILE  56          1HG1      ILE  56  -1.125  -1.208   4.138
  406   2HG1  ILE  56          2HG1      ILE  56  -0.840  -2.490   2.977
  407   1HG2  ILE  56          1HG2      ILE  56  -0.627   1.244   3.448
  408   2HG2  ILE  56          2HG2      ILE  56   1.071   0.715   3.395
  409   3HG2  ILE  56          3HG2      ILE  56   0.344   1.512   1.980
  410   1HD1  ILE  56          1HD1      ILE  56   1.691  -1.958   3.266
  411   2HD1  ILE  56          2HD1      ILE  56   1.193  -1.042   4.708
  412   3HD1  ILE  56          3HD1      ILE  56   0.866  -2.788   4.607
  413    H    VAL  57           H        VAL  57  -1.816   2.175   1.463
  414    HA   VAL  57           HA       VAL  57  -1.285   2.332  -1.420
  415    HB   VAL  57           HB       VAL  57  -3.444   2.840  -1.629
  416   1HG1  VAL  57          1HG1      VAL  57  -3.531   3.492   1.336
  417   2HG1  VAL  57          2HG1      VAL  57  -4.940   3.486   0.248
  418   3HG1  VAL  57          3HG1      VAL  57  -4.048   1.977   0.557
  419   1HG2  VAL  57          1HG2      VAL  57  -2.556   5.388  -0.233
  420   2HG2  VAL  57          2HG2      VAL  57  -2.431   5.026  -1.972
  421   3HG2  VAL  57          3HG2      VAL  57  -4.031   5.211  -1.214
  422    H    TRP  58           H        TRP  58  -0.387   4.507  -2.093
  423    HA   TRP  58           HA       TRP  58   1.975   4.440  -0.640
  424   1HB   TRP  58          1HB       TRP  58   1.862   4.873  -3.029
  425   2HB   TRP  58          2HB       TRP  58   1.035   6.392  -2.747
  426    HD1  TRP  58           HD1      TRP  58   4.543   4.829  -2.494
  427    HE1  TRP  58           HE1      TRP  58   6.404   6.682  -2.227
  428    HE3  TRP  58           HE3      TRP  58   1.325   8.714  -1.861
  429    HZ2  TRP  58           HZ2      TRP  58   6.321   9.501  -1.791
  430    HZ3  TRP  58           HZ3      TRP  58   2.296  10.985  -1.521
  431    HH2  TRP  58           HH2      TRP  58   4.703  11.411  -1.480
  432    HA   PRO  59           HA       PRO  59   3.512   5.354  -0.159
  433   1HB   PRO  59          1HB       PRO  59   5.166   6.116   1.879
  434   2HB   PRO  59          2HB       PRO  59   5.128   6.922   0.324
  435   1HG   PRO  59          1HG       PRO  59   4.013   7.826   2.909
  436   2HG   PRO  59          2HG       PRO  59   4.362   8.770   1.474
  437   1HD   PRO  59          1HD       PRO  59   1.782   7.892   2.365
  438   2HD   PRO  59          2HD       PRO  59   2.144   8.735   0.872
  439    H    LEU  60           H        LEU  60   4.898   3.651   1.158
  440    HA   LEU  60           HA       LEU  60   3.387   2.463   3.233
  441   1HB   LEU  60          1HB       LEU  60   6.348   2.357   2.639
  442   2HB   LEU  60          2HB       LEU  60   5.492   1.308   3.752
  443    HG   LEU  60           HG       LEU  60   4.549   1.415   0.914
  444   1HD1  LEU  60          1HD1      LEU  60   7.075   0.014   1.822
  445   2HD1  LEU  60          2HD1      LEU  60   6.199  -0.371   0.320
  446   3HD1  LEU  60          3HD1      LEU  60   6.907   1.247   0.549
  447   1HD2  LEU  60          1HD2      LEU  60   4.731  -0.765   3.010
  448   2HD2  LEU  60          2HD2      LEU  60   3.270   0.102   2.478
  449   3HD2  LEU  60          3HD2      LEU  60   4.116  -0.989   1.354
  450    HA   PRO  61           HA       PRO  61   3.609   5.115   6.296
  451   1HB   PRO  61          1HB       PRO  61   3.670   3.643   8.598
  452   2HB   PRO  61          2HB       PRO  61   2.251   3.766   7.576
  453   1HG   PRO  61          1HG       PRO  61   4.135   1.507   7.870
  454   2HG   PRO  61          2HG       PRO  61   2.514   1.505   7.204
  455   1HD   PRO  61          1HD       PRO  61   4.974   1.423   5.731
  456   2HD   PRO  61          2HD       PRO  61   3.356   1.539   5.065
  457    H    ASN  62           H        ASN  62   6.317   2.946   6.734
  458    HA   ASN  62           HA       ASN  62   7.891   5.319   6.937
  459   1HB   ASN  62          1HB       ASN  62   9.194   4.262   8.940
  460   2HB   ASN  62          2HB       ASN  62   7.668   5.043   9.302
  461   1HD2  ASN  62          1HD2      ASN  62   5.944   2.190  10.325
  462   2HD2  ASN  62          2HD2      ASN  62   5.884   3.861   9.875
  463    H    LYS  63           H        LYS  63   7.736   3.589   4.781
  464    HA   LYS  63           HA       LYS  63  10.476   3.127   4.512
  465   1HB   LYS  63          1HB       LYS  63  10.302   0.625   4.018
  466   2HB   LYS  63          2HB       LYS  63  10.352   1.116   5.700
  467   1HG   LYS  63          1HG       LYS  63   7.771   1.075   5.660
  468   2HG   LYS  63          2HG       LYS  63   7.892   0.299   4.093
  469   1HD   LYS  63          1HD       LYS  63   7.984  -1.657   5.263
  470   2HD   LYS  63          2HD       LYS  63   9.654  -1.231   5.585
  471   1HE   LYS  63          1HE       LYS  63   7.311  -0.407   7.366
  472   2HE   LYS  63          2HE       LYS  63   8.313  -1.815   7.659
  473   1HZ   LYS  63          1HZ       LYS  63  10.226  -0.311   7.724
  474   2HZ   LYS  63          2HZ       LYS  63   9.229   0.974   7.575
  475   3HZ   LYS  63          3HZ       LYS  63   9.135   0.018   8.895
  476    H    ARG  64           H        ARG  64   9.036   4.817   3.111
  477    HA   ARG  64           HA       ARG  64   7.872   3.666   0.837
  478   1HB   ARG  64          1HB       ARG  64   7.816   5.931  -0.036
  479   2HB   ARG  64          2HB       ARG  64   7.510   6.043   1.685
  480   1HG   ARG  64          1HG       ARG  64  10.081   6.407   1.940
  481   2HG   ARG  64          2HG       ARG  64  10.097   6.669   0.207
  482   1HD   ARG  64          1HD       ARG  64   8.199   8.411   0.626
  483   2HD   ARG  64          2HD       ARG  64   8.624   8.295   2.322
  484    HE   ARG  64           HE       ARG  64  10.963   8.741   0.640
  485   1HH1  ARG  64          2HH1      ARG  64   8.178  10.417   1.974
  486   2HH1  ARG  64          1HH1      ARG  64   9.036  11.894   2.256
  487   1HH2  ARG  64          1HH2      ARG  64  12.098  10.700   0.989
  488   2HH2  ARG  64          2HH2      ARG  64  11.262  12.079   1.620
  489    H    CYS  65           H        CYS  65   8.898   4.463  -1.472
  490    HA   CYS  65           HA       CYS  65  10.869   2.595  -1.822
  491   1HB   CYS  65          1HB       CYS  65   9.294   3.546  -3.541
  492   2HB   CYS  65          2HB       CYS  65  10.347   4.943  -3.652
  493    H    SER  66           H        SER  66  11.102   6.225  -1.728
  494    HA   SER  66           HA       SER  66  13.862   6.218  -2.147
  495   1HB   SER  66          1HB       SER  66  13.669   8.641  -1.363
  496   2HB   SER  66          2HB       SER  66  12.644   8.199  -2.713
  497    HG   SER  66           HG       SER  66  10.933   8.715  -1.547
  498   1HN   NH2  67          1H        SER  66  11.799   5.955   0.651
  499   2HN   NH2  67          2H        SER  66  13.015   5.988   1.883
   
  No H/Q in entry =         499
  Start of MODEL   13
    1   1H    LYS   1          1H        LYS   1 -11.666  -0.046   0.586
    2   2H    LYS   1          2H        LYS   1 -11.976   0.311   2.172
    3   3H    LYS   1          3H        LYS   1 -11.315   1.459   1.179
    4    HA   LYS   1           HA       LYS   1  -9.606   0.729   2.477
    5   1HB   LYS   1          1HB       LYS   1  -9.129  -1.863   2.351
    6   2HB   LYS   1          2HB       LYS   1 -10.238  -1.195   3.531
    7   1HG   LYS   1          1HG       LYS   1 -12.172  -1.771   2.162
    8   2HG   LYS   1          2HG       LYS   1 -11.155  -2.195   0.799
    9   1HD   LYS   1          1HD       LYS   1 -10.519  -4.236   1.715
   10   2HD   LYS   1          2HD       LYS   1 -10.610  -3.653   3.365
   11   1HE   LYS   1          1HE       LYS   1 -13.169  -3.870   1.764
   12   2HE   LYS   1          2HE       LYS   1 -12.452  -5.337   2.400
   13   1HZ   LYS   1          1HZ       LYS   1 -12.958  -2.985   4.077
   14   2HZ   LYS   1          2HZ       LYS   1 -14.053  -4.181   3.880
   15   3HZ   LYS   1          3HZ       LYS   1 -12.607  -4.502   4.569
   16    H    GLU   2           H        GLU   2  -9.444   2.031   0.220
   17    HA   GLU   2           HA       GLU   2  -8.161   0.251  -1.703
   18   1HB   GLU   2          1HB       GLU   2  -9.497   2.893  -2.388
   19   2HB   GLU   2          2HB       GLU   2  -9.045   1.600  -3.482
   20   1HG   GLU   2          1HG       GLU   2 -11.320   1.649  -1.469
   21   2HG   GLU   2          2HG       GLU   2 -11.407   1.365  -3.196
   22    H    GLY   3           H        GLY   3  -6.361   1.263  -3.028
   23   1HA   GLY   3          1HA       GLY   3  -5.862   3.961  -3.029
   24   2HA   GLY   3          2HA       GLY   3  -4.847   3.324  -1.751
   25    H    TYR   4           H        TYR   4  -3.078   4.121  -3.260
   26    HA   TYR   4           HA       TYR   4  -2.589   2.754  -5.677
   27   1HB   TYR   4          1HB       TYR   4  -0.880   4.213  -3.571
   28   2HB   TYR   4          2HB       TYR   4  -0.226   3.710  -5.117
   29    HD1  TYR   4           HD1      TYR   4  -1.609   4.562  -7.238
   30    HD2  TYR   4           HD2      TYR   4  -1.703   6.378  -3.365
   31    HE1  TYR   4           HE1      TYR   4  -2.395   6.747  -8.274
   32    HE2  TYR   4           HE2      TYR   4  -2.489   8.556  -4.414
   33    HH   TYR   4           HH       TYR   4  -3.016   9.590  -6.228
   34    H    LEU   5           H        LEU   5  -0.283   1.578  -5.868
   35    HA   LEU   5           HA       LEU   5  -0.425  -0.597  -3.906
   36   1HB   LEU   5          1HB       LEU   5  -0.257  -0.493  -6.796
   37   2HB   LEU   5          2HB       LEU   5   1.068  -1.422  -6.124
   38    HG   LEU   5           HG       LEU   5  -0.591  -2.806  -4.867
   39   1HD1  LEU   5          1HD1      LEU   5  -2.598  -1.196  -6.463
   40   2HD1  LEU   5          2HD1      LEU   5  -2.967  -2.718  -5.618
   41   3HD1  LEU   5          3HD1      LEU   5  -2.443  -1.292  -4.692
   42   1HD2  LEU   5          1HD2      LEU   5  -0.505  -2.689  -7.862
   43   2HD2  LEU   5          2HD2      LEU   5   0.183  -3.891  -6.744
   44   3HD2  LEU   5          3HD2      LEU   5  -1.570  -3.863  -7.052
   45    H    VAL   6           H        VAL   6   1.774  -1.692  -3.458
   46    HA   VAL   6           HA       VAL   6   3.816   0.333  -3.149
   47    HB   VAL   6           HB       VAL   6   2.411   1.118  -1.459
   48   1HG1  VAL   6          1HG1      VAL   6   1.890  -1.775  -0.701
   49   2HG1  VAL   6          2HG1      VAL   6   1.334  -0.368   0.238
   50   3HG1  VAL   6          3HG1      VAL   6   0.739  -0.624  -1.420
   51   1HG2  VAL   6          1HG2      VAL   6   4.778   0.639  -0.758
   52   2HG2  VAL   6          2HG2      VAL   6   3.608   0.710   0.582
   53   3HG2  VAL   6          3HG2      VAL   6   4.191  -0.865  -0.008
   54    H    ASP   7           H        ASP   7   5.826  -0.579  -2.697
   55    HA   ASP   7           HA       ASP   7   5.798  -3.472  -2.528
   56   1HB   ASP   7          1HB       ASP   7   7.230  -1.921  -4.183
   57   2HB   ASP   7          2HB       ASP   7   8.313  -1.817  -2.810
   58    H    LYS   8           H        LYS   8   7.801  -4.330  -1.102
   59    HA   LYS   8           HA       LYS   8   7.761  -2.842   1.411
   60   1HB   LYS   8          1HB       LYS   8   7.576  -5.597   0.742
   61   2HB   LYS   8          2HB       LYS   8   9.103  -5.384   1.574
   62   1HG   LYS   8          1HG       LYS   8   7.919  -4.167   3.421
   63   2HG   LYS   8          2HG       LYS   8   6.394  -4.403   2.592
   64   1HD   LYS   8          1HD       LYS   8   6.709  -6.887   2.729
   65   2HD   LYS   8          2HD       LYS   8   8.226  -6.643   3.574
   66   1HE   LYS   8          1HE       LYS   8   7.009  -5.442   5.407
   67   2HE   LYS   8          2HE       LYS   8   5.494  -5.690   4.562
   68   1HZ   LYS   8          1HZ       LYS   8   7.264  -7.830   5.524
   69   2HZ   LYS   8          2HZ       LYS   8   5.859  -7.371   6.219
   70   3HZ   LYS   8          3HZ       LYS   8   5.850  -8.059   4.738
   71    H    ASN   9           H        ASN   9   9.636  -3.298  -1.421
   72    HA   ASN   9           HA       ASN   9  12.157  -3.279  -0.120
   73   1HB   ASN   9          1HB       ASN   9  11.130  -3.271  -2.948
   74   2HB   ASN   9          2HB       ASN   9  12.732  -2.600  -2.716
   75   1HD2  ASN   9          1HD2      ASN   9  14.298  -5.615  -1.680
   76   2HD2  ASN   9          2HD2      ASN   9  14.303  -3.891  -1.515
   77    H    THR  10           H        THR  10  10.866  -1.068  -2.713
   78    HA   THR  10           HA       THR  10  12.289   1.135  -1.401
   79    HB   THR  10           HB       THR  10  11.990   2.161  -3.732
   80    HG1  THR  10           HG1      THR  10  11.233   0.516  -5.302
   81   1HG2  THR  10          1HG2      THR  10  14.047   0.732  -3.100
   82   2HG2  THR  10          2HG2      THR  10  13.205  -0.643  -3.856
   83   3HG2  THR  10          3HG2      THR  10  13.651   0.775  -4.835
   84    H    GLY  11           H        GLY  11   9.135  -0.188  -1.770
   85   1HA   GLY  11          1HA       GLY  11   7.171   0.792  -0.993
   86   2HA   GLY  11          2HA       GLY  11   7.896   2.383  -1.107
   87    H    CYS  12           H        CYS  12   9.015   1.471  -3.943
   88    HA   CYS  12           HA       CYS  12   7.165   3.348  -4.939
   89   1HB   CYS  12          1HB       CYS  12   9.786   2.471  -5.553
   90   2HB   CYS  12          2HB       CYS  12   8.835   2.257  -7.008
   91    H    LYS  13           H        LYS  13   8.091  -0.039  -5.911
   92    HA   LYS  13           HA       LYS  13   6.869  -1.700  -6.713
   93   1HB   LYS  13          1HB       LYS  13   5.159  -0.798  -5.019
   94   2HB   LYS  13          2HB       LYS  13   4.354  -0.058  -6.388
   95   1HG   LYS  13          1HG       LYS  13   3.263  -2.130  -6.286
   96   2HG   LYS  13          2HG       LYS  13   4.508  -2.460  -7.474
   97   1HD   LYS  13          1HD       LYS  13   5.783  -3.759  -5.993
   98   2HD   LYS  13          2HD       LYS  13   5.184  -2.927  -4.572
   99   1HE   LYS  13          1HE       LYS  13   2.841  -4.007  -5.395
  100   2HE   LYS  13          2HE       LYS  13   3.923  -5.172  -6.133
  101   1HZ   LYS  13          1HZ       LYS  13   4.972  -5.416  -3.944
  102   2HZ   LYS  13          2HZ       LYS  13   3.842  -4.434  -3.291
  103   3HZ   LYS  13          3HZ       LYS  13   3.401  -5.864  -3.944
  104    H    TYR  14           H        TYR  14   4.844   1.061  -7.938
  105    HA   TYR  14           HA       TYR  14   5.573   0.207 -10.639
  106   1HB   TYR  14          1HB       TYR  14   2.779   0.351  -9.341
  107   2HB   TYR  14          2HB       TYR  14   3.050   0.019 -11.041
  108    HD1  TYR  14           HD1      TYR  14   5.393  -1.871 -10.818
  109    HD2  TYR  14           HD2      TYR  14   1.743  -1.631  -8.599
  110    HE1  TYR  14           HE1      TYR  14   5.534  -4.357 -10.304
  111    HE2  TYR  14           HE2      TYR  14   1.897  -4.118  -8.092
  112    HH   TYR  14           HH       TYR  14   3.004  -6.132  -9.285
  113    H    GLU  15           H        GLU  15   5.336   1.819 -12.213
  114    HA   GLU  15           HA       GLU  15   3.697   4.079 -11.509
  115   1HB   GLU  15          1HB       GLU  15   5.588   5.623 -12.429
  116   2HB   GLU  15          2HB       GLU  15   5.710   5.051 -10.777
  117   1HG   GLU  15          1HG       GLU  15   6.964   3.417 -12.998
  118   2HG   GLU  15          2HG       GLU  15   7.789   4.853 -12.426
  119    H    CYS  16           H        CYS  16   2.286   3.166 -13.140
  120    HA   CYS  16           HA       CYS  16   3.120   2.499 -15.693
  121   1HB   CYS  16          1HB       CYS  16   0.706   2.911 -16.308
  122   2HB   CYS  16          2HB       CYS  16   1.012   1.741 -15.040
  123    H    LEU  17           H        LEU  17   4.172   3.857 -17.114
  124    HA   LEU  17           HA       LEU  17   4.031   6.685 -16.624
  125   1HB   LEU  17          1HB       LEU  17   5.612   5.084 -18.639
  126   2HB   LEU  17          2HB       LEU  17   5.804   6.796 -18.317
  127    HG   LEU  17           HG       LEU  17   6.327   4.551 -16.347
  128   1HD1  LEU  17          1HD1      LEU  17   7.984   4.637 -18.142
  129   2HD1  LEU  17          2HD1      LEU  17   8.259   6.365 -17.818
  130   3HD1  LEU  17          3HD1      LEU  17   8.686   5.150 -16.589
  131   1HD2  LEU  17          1HD2      LEU  17   6.527   7.554 -16.061
  132   2HD2  LEU  17          2HD2      LEU  17   5.594   6.404 -15.072
  133   3HD2  LEU  17          3HD2      LEU  17   7.371   6.413 -14.986
  134    H    LYS  18           H        LYS  18   1.533   6.373 -17.181
  135    HA   LYS  18           HA       LYS  18   0.975   7.359 -19.727
  136   1HB   LYS  18          1HB       LYS  18   1.762   5.141 -20.481
  137   2HB   LYS  18          2HB       LYS  18   0.557   4.365 -19.474
  138   1HG   LYS  18          1HG       LYS  18  -0.571   4.447 -21.521
  139   2HG   LYS  18          2HG       LYS  18  -1.156   5.916 -20.767
  140   1HD   LYS  18          1HD       LYS  18   0.617   7.229 -21.958
  141   2HD   LYS  18          2HD       LYS  18   1.188   5.758 -22.721
  142   1HE   LYS  18          1HE       LYS  18  -1.022   5.446 -23.824
  143   2HE   LYS  18          2HE       LYS  18  -1.641   6.876 -23.023
  144   1HZ   LYS  18          1HZ       LYS  18   0.625   6.841 -24.895
  145   2HZ   LYS  18          2HZ       LYS  18  -0.886   7.356 -25.241
  146   3HZ   LYS  18          3HZ       LYS  18   0.027   8.171 -24.159
  147    H    LEU  19           H        LEU  19   0.005   8.588 -17.807
  148    HA   LEU  19           HA       LEU  19  -1.904   7.346 -16.183
  149   1HB   LEU  19          1HB       LEU  19  -2.393   9.527 -15.389
  150   2HB   LEU  19          2HB       LEU  19  -0.663   9.399 -15.638
  151    HG   LEU  19           HG       LEU  19  -1.446  10.464 -18.030
  152   1HD1  LEU  19          1HD1      LEU  19  -3.778  10.673 -17.300
  153   2HD1  LEU  19          2HD1      LEU  19  -3.259  11.686 -15.931
  154   3HD1  LEU  19          3HD1      LEU  19  -3.034  12.263 -17.600
  155   1HD2  LEU  19          1HD2      LEU  19  -0.680  11.951 -15.503
  156   2HD2  LEU  19          2HD2      LEU  19   0.429  11.222 -16.689
  157   3HD2  LEU  19          3HD2      LEU  19  -0.592  12.603 -17.156
  158    H    GLY  20           H        GLY  20  -4.187   7.304 -16.247
  159   1HA   GLY  20          1HA       GLY  20  -6.241   7.738 -17.324
  160   2HA   GLY  20          2HA       GLY  20  -5.394   8.046 -18.827
  161    H    ASP  21           H        ASP  21  -3.701   5.884 -19.173
  162    HA   ASP  21           HA       ASP  21  -5.662   4.225 -20.276
  163   1HB   ASP  21          1HB       ASP  21  -2.628   3.931 -20.076
  164   2HB   ASP  21          2HB       ASP  21  -3.638   2.875 -21.044
  165    H    ASN  22           H        ASN  22  -6.816   2.989 -18.715
  166    HA   ASN  22           HA       ASN  22  -5.314   1.779 -16.590
  167   1HB   ASN  22          1HB       ASN  22  -7.615   1.044 -15.805
  168   2HB   ASN  22          2HB       ASN  22  -7.471   2.778 -16.005
  169   1HD2  ASN  22          1HD2      ASN  22 -10.628   1.373 -17.561
  170   2HD2  ASN  22          2HD2      ASN  22  -9.862   1.239 -16.013
  171    H    ASP  23           H        ASP  23  -4.232   0.494 -18.593
  172    HA   ASP  23           HA       ASP  23  -5.832  -1.891 -19.042
  173   1HB   ASP  23          1HB       ASP  23  -4.865  -0.993 -21.078
  174   2HB   ASP  23          2HB       ASP  23  -3.294  -0.801 -20.326
  175    H    TYR  24           H        TYR  24  -2.376  -0.906 -18.345
  176    HA   TYR  24           HA       TYR  24  -1.676  -3.546 -17.592
  177   1HB   TYR  24          1HB       TYR  24  -0.392  -0.774 -17.168
  178   2HB   TYR  24          2HB       TYR  24   0.473  -2.288 -16.991
  179    HD1  TYR  24           HD1      TYR  24   0.412  -3.870 -19.132
  180    HD2  TYR  24           HD2      TYR  24  -0.270   0.353 -19.201
  181    HE1  TYR  24           HE1      TYR  24   1.019  -3.806 -21.601
  182    HE2  TYR  24           HE2      TYR  24   0.339   0.404 -21.669
  183    HH   TYR  24           HH       TYR  24   1.173  -2.598 -23.382
  184    H    CYS  25           H        CYS  25  -2.952  -0.735 -15.881
  185    HA   CYS  25           HA       CYS  25  -2.119  -1.609 -13.313
  186   1HB   CYS  25          1HB       CYS  25  -4.200   0.374 -14.238
  187   2HB   CYS  25          2HB       CYS  25  -3.901   0.028 -12.547
  188    H    LEU  26           H        LEU  26  -4.938  -2.058 -15.489
  189    HA   LEU  26           HA       LEU  26  -6.506  -3.358 -13.482
  190   1HB   LEU  26          1HB       LEU  26  -6.903  -2.208 -16.035
  191   2HB   LEU  26          2HB       LEU  26  -7.374  -3.891 -16.165
  192    HG   LEU  26           HG       LEU  26  -8.411  -2.062 -13.990
  193   1HD1  LEU  26          1HD1      LEU  26  -9.649  -2.656 -16.691
  194   2HD1  LEU  26          2HD1      LEU  26 -10.457  -1.820 -15.344
  195   3HD1  LEU  26          3HD1      LEU  26  -9.034  -1.086 -16.121
  196   1HD2  LEU  26          1HD2      LEU  26  -8.553  -4.482 -13.548
  197   2HD2  LEU  26          2HD2      LEU  26 -10.155  -3.728 -13.726
  198   3HD2  LEU  26          3HD2      LEU  26  -9.473  -4.692 -15.058
  199    H    ARG  27           H        ARG  27  -3.933  -4.259 -15.676
  200    HA   ARG  27           HA       ARG  27  -4.454  -7.030 -15.379
  201   1HB   ARG  27          1HB       ARG  27  -2.147  -5.341 -16.378
  202   2HB   ARG  27          2HB       ARG  27  -1.844  -7.027 -16.010
  203   1HG   ARG  27          1HG       ARG  27  -3.847  -7.610 -17.507
  204   2HG   ARG  27          2HG       ARG  27  -3.887  -5.927 -17.992
  205   1HD   ARG  27          1HD       ARG  27  -1.659  -6.059 -18.960
  206   2HD   ARG  27          2HD       ARG  27  -1.365  -7.627 -18.235
  207    HE   ARG  27           HE       ARG  27  -2.508  -8.618 -20.011
  208   1HH1  ARG  27          2HH1      ARG  27  -3.036  -5.159 -20.136
  209   2HH1  ARG  27          1HH1      ARG  27  -4.285  -5.250 -21.333
  210   1HH2  ARG  27          1HH2      ARG  27  -4.145  -8.759 -21.632
  211   2HH2  ARG  27          2HH2      ARG  27  -4.804  -7.302 -22.297
  212    H    GLU  28           H        GLU  28  -2.357  -4.530 -13.812
  213    HA   GLU  28           HA       GLU  28  -0.847  -6.300 -12.333
  214   1HB   GLU  28          1HB       GLU  28  -0.400  -3.828 -12.794
  215   2HB   GLU  28          2HB       GLU  28  -1.560  -3.447 -11.536
  216   1HG   GLU  28          1HG       GLU  28   0.648  -3.423 -10.527
  217   2HG   GLU  28          2HG       GLU  28  -0.197  -4.831  -9.915
  218    H    CYS  29           H        CYS  29  -3.719  -4.304 -11.328
  219    HA   CYS  29           HA       CYS  29  -3.833  -5.139  -8.732
  220   1HB   CYS  29          1HB       CYS  29  -5.250  -3.417 -10.178
  221   2HB   CYS  29          2HB       CYS  29  -6.393  -4.745 -10.219
  222    H    LYS  30           H        LYS  30  -4.930  -6.719 -11.759
  223    HA   LYS  30           HA       LYS  30  -6.585  -8.614 -10.457
  224   1HB   LYS  30          1HB       LYS  30  -6.640  -7.715 -12.896
  225   2HB   LYS  30          2HB       LYS  30  -5.430  -8.940 -13.221
  226   1HG   LYS  30          1HG       LYS  30  -6.924 -10.718 -12.423
  227   2HG   LYS  30          2HG       LYS  30  -8.104  -9.543 -11.875
  228   1HD   LYS  30          1HD       LYS  30  -7.227  -9.770 -14.789
  229   2HD   LYS  30          2HD       LYS  30  -8.597 -10.649 -14.139
  230   1HE   LYS  30          1HE       LYS  30  -9.876  -8.818 -14.547
  231   2HE   LYS  30          2HE       LYS  30  -9.009  -7.992 -13.268
  232   1HZ   LYS  30          1HZ       LYS  30  -8.085  -8.105 -16.054
  233   2HZ   LYS  30          2HZ       LYS  30  -8.924  -6.857 -15.416
  234   3HZ   LYS  30          3HZ       LYS  30  -7.435  -7.216 -14.849
  235    H    GLN  31           H        GLN  31  -3.268  -8.758 -11.926
  236    HA   GLN  31           HA       GLN  31  -3.058 -11.402 -10.722
  237   1HB   GLN  31          1HB       GLN  31  -1.462 -10.229 -13.041
  238   2HB   GLN  31          2HB       GLN  31  -1.356 -11.875 -12.451
  239   1HG   GLN  31          1HG       GLN  31  -4.083 -11.631 -12.883
  240   2HG   GLN  31          2HG       GLN  31  -3.441 -10.609 -14.153
  241   1HE2  GLN  31          1HE2      GLN  31  -1.821 -13.168 -15.984
  242   2HE2  GLN  31          2HE2      GLN  31  -1.801 -11.486 -15.571
  243    H    GLN  32           H        GLN  32  -2.665  -9.194  -8.985
  244    HA   GLN  32           HA       GLN  32  -0.361 -10.438  -7.975
  245   1HB   GLN  32          1HB       GLN  32   1.251  -8.826  -8.081
  246   2HB   GLN  32          2HB       GLN  32   0.316  -8.231  -9.439
  247   1HG   GLN  32          1HG       GLN  32   0.519  -6.293  -8.133
  248   2HG   GLN  32          2HG       GLN  32  -1.044  -6.895  -7.615
  249   1HE2  GLN  32          1HE2      GLN  32   2.270  -7.516  -5.185
  250   2HE2  GLN  32          2HE2      GLN  32   2.426  -7.264  -6.892
  251    H    TYR  33           H        TYR  33  -2.837  -7.850  -7.786
  252    HA   TYR  33           HA       TYR  33  -3.064  -8.458  -4.916
  253   1HB   TYR  33          1HB       TYR  33  -2.985  -6.053  -6.531
  254   2HB   TYR  33          2HB       TYR  33  -4.639  -6.205  -5.972
  255    HD1  TYR  33           HD1      TYR  33  -4.975  -6.583  -3.404
  256    HD2  TYR  33           HD2      TYR  33  -1.367  -5.080  -5.145
  257    HE1  TYR  33           HE1      TYR  33  -4.303  -5.582  -1.166
  258    HE2  TYR  33           HE2      TYR  33  -0.708  -4.085  -2.900
  259    HH   TYR  33           HH       TYR  33  -2.469  -4.837  -0.009
  260    H    GLY  34           H        GLY  34  -4.142 -10.089  -7.285
  261   1HA   GLY  34          1HA       GLY  34  -5.630 -11.698  -6.372
  262   2HA   GLY  34          2HA       GLY  34  -6.613 -10.408  -5.709
  263    H    LYS  35           H        LYS  35  -7.121 -12.732  -7.725
  264    HA   LYS  35           HA       LYS  35  -7.319 -11.391 -10.255
  265   1HB   LYS  35          1HB       LYS  35  -8.008 -14.212  -9.380
  266   2HB   LYS  35          2HB       LYS  35  -8.101 -13.633 -11.032
  267   1HG   LYS  35          1HG       LYS  35  -5.647 -12.985 -10.880
  268   2HG   LYS  35          2HG       LYS  35  -5.591 -13.723  -9.292
  269   1HD   LYS  35          1HD       LYS  35  -6.512 -15.871 -10.447
  270   2HD   LYS  35          2HD       LYS  35  -6.112 -15.088 -11.964
  271   1HE   LYS  35          1HE       LYS  35  -4.125 -15.572  -9.691
  272   2HE   LYS  35          2HE       LYS  35  -4.277 -16.590 -11.110
  273   1HZ   LYS  35          1HZ       LYS  35  -3.819 -14.579 -12.439
  274   2HZ   LYS  35          2HZ       LYS  35  -3.502 -13.759 -11.063
  275   3HZ   LYS  35          3HZ       LYS  35  -2.570 -15.031 -11.488
  276    H    GLY  36           H        GLY  36  -8.819  -9.717  -9.129
  277   1HA   GLY  36          1HA       GLY  36 -11.453 -10.154 -10.053
  278   2HA   GLY  36          2HA       GLY  36 -11.401 -10.370  -8.315
  279    H    ALA  37           H        ALA  37  -9.344  -8.493  -7.622
  280    HA   ALA  37           HA       ALA  37 -10.871  -6.162  -7.458
  281   1HB   ALA  37          1HB       ALA  37  -9.121  -6.865  -5.846
  282   2HB   ALA  37          2HB       ALA  37  -7.876  -6.569  -7.084
  283   3HB   ALA  37          3HB       ALA  37  -8.841  -5.214  -6.449
  284    H    GLY  38           H        GLY  38 -10.247  -3.972  -8.302
  285   1HA   GLY  38          1HA       GLY  38  -8.940  -4.132 -10.943
  286   2HA   GLY  38          2HA       GLY  38 -10.519  -3.395 -10.763
  287    H    GLY  39           H        GLY  39  -9.245  -1.453 -11.678
  288   1HA   GLY  39          1HA       GLY  39  -8.243   0.383  -9.852
  289   2HA   GLY  39          2HA       GLY  39  -6.890  -0.616 -10.342
  290    H    TYR  40           H        TYR  40  -6.492   1.882 -11.079
  291    HA   TYR  40           HA       TYR  40  -6.476   1.602 -13.926
  292   1HB   TYR  40          1HB       TYR  40  -7.481   4.083 -13.974
  293   2HB   TYR  40          2HB       TYR  40  -8.592   2.732 -13.869
  294    HD1  TYR  40           HD1      TYR  40  -6.815   5.280 -11.807
  295    HD2  TYR  40           HD2      TYR  40 -10.070   2.514 -12.034
  296    HE1  TYR  40           HE1      TYR  40  -7.788   6.238  -9.663
  297    HE2  TYR  40           HE2      TYR  40 -11.033   3.481  -9.889
  298    HH   TYR  40           HH       TYR  40 -10.684   4.810  -8.202
  299    H    CYS  41           H        CYS  41  -5.427   3.791 -14.875
  300    HA   CYS  41           HA       CYS  41  -3.040   4.003 -13.229
  301   1HB   CYS  41          1HB       CYS  41  -2.859   3.149 -15.546
  302   2HB   CYS  41          2HB       CYS  41  -3.453   4.684 -16.148
  303    H    TYR  42           H        TYR  42  -3.202   5.762 -11.827
  304    HA   TYR  42           HA       TYR  42  -4.266   8.267 -12.769
  305   1HB   TYR  42          1HB       TYR  42  -3.515   6.899 -10.325
  306   2HB   TYR  42          2HB       TYR  42  -2.498   8.323 -10.418
  307    HD1  TYR  42           HD1      TYR  42  -6.114   7.461 -10.991
  308    HD2  TYR  42           HD2      TYR  42  -3.286  10.205  -9.328
  309    HE1  TYR  42           HE1      TYR  42  -8.018   8.884 -10.086
  310    HE2  TYR  42           HE2      TYR  42  -5.198  11.620  -8.429
  311    HH   TYR  42           HH       TYR  42  -7.331  11.849  -8.246
  312    H    ALA  43           H        ALA  43  -2.480  10.160 -11.809
  313    HA   ALA  43           HA       ALA  43  -0.426  10.371 -13.626
  314   1HB   ALA  43          1HB       ALA  43  -0.647  11.405 -10.771
  315   2HB   ALA  43          2HB       ALA  43   0.518  11.993 -11.982
  316   3HB   ALA  43          3HB       ALA  43  -1.228  12.220 -12.244
  317    H    PHE  44           H        PHE  44   0.396   8.122 -13.810
  318    HA   PHE  44           HA       PHE  44   2.150   6.804 -13.607
  319   1HB   PHE  44          1HB       PHE  44   3.323   8.978 -11.787
  320   2HB   PHE  44          2HB       PHE  44   4.215   7.910 -12.852
  321    HD1  PHE  44           HD1      PHE  44   2.829   8.138 -15.392
  322    HD2  PHE  44           HD2      PHE  44   3.673  11.140 -12.515
  323    HE1  PHE  44           HE1      PHE  44   2.767   9.883 -17.194
  324    HE2  PHE  44           HE2      PHE  44   3.611  12.886 -14.317
  325    HZ   PHE  44           HZ       PHE  44   3.159  12.237 -16.637
  326    H    ALA  45           H        ALA  45   0.010   6.519 -11.583
  327    HA   ALA  45           HA       ALA  45   1.555   4.467 -10.340
  328   1HB   ALA  45          1HB       ALA  45   0.200   6.596  -8.640
  329   2HB   ALA  45          2HB       ALA  45   0.704   5.006  -8.022
  330   3HB   ALA  45          3HB       ALA  45   1.922   6.146  -8.642
  331    H    CYS  46           H        CYS  46   0.212   2.687  -9.704
  332    HA   CYS  46           HA       CYS  46  -2.311   2.766 -11.089
  333   1HB   CYS  46          1HB       CYS  46  -0.725   0.541  -9.806
  334   2HB   CYS  46          2HB       CYS  46  -2.328   0.303 -10.472
  335    H    TRP  47           H        TRP  47  -4.046   3.588  -9.946
  336    HA   TRP  47           HA       TRP  47  -4.217   3.106  -7.093
  337   1HB   TRP  47          1HB       TRP  47  -4.839   5.286  -7.935
  338   2HB   TRP  47          2HB       TRP  47  -6.008   4.579  -9.032
  339    HD1  TRP  47           HD1      TRP  47  -8.206   3.337  -7.746
  340    HE1  TRP  47           HE1      TRP  47  -9.522   3.961  -5.545
  341    HE3  TRP  47           HE3      TRP  47  -4.549   6.261  -5.764
  342    HZ2  TRP  47           HZ2      TRP  47  -8.899   5.572  -3.272
  343    HZ3  TRP  47           HZ3      TRP  47  -4.983   7.322  -3.550
  344    HH2  TRP  47           HH2      TRP  47  -7.069   7.017  -2.312
  345    H    CYS  48           H        CYS  48  -5.037   1.195  -6.351
  346    HA   CYS  48           HA       CYS  48  -6.817  -0.290  -8.101
  347   1HB   CYS  48          1HB       CYS  48  -5.209  -0.954  -5.665
  348   2HB   CYS  48          2HB       CYS  48  -6.622  -1.922  -6.039
  349    H    THR  49           H        THR  49  -8.918  -1.089  -7.180
  350    HA   THR  49           HA       THR  49  -9.988   0.342  -4.926
  351    HB   THR  49           HB       THR  49 -10.120   2.148  -6.552
  352    HG1  THR  49           HG1      THR  49 -12.099   1.783  -5.390
  353   1HG2  THR  49          1HG2      THR  49 -11.001  -0.087  -8.399
  354   2HG2  THR  49          2HG2      THR  49 -11.675   1.542  -8.645
  355   3HG2  THR  49          3HG2      THR  49  -9.917   1.284  -8.738
  356    H    HIS  50           H        HIS  50  -9.675  -2.391  -5.146
  357    HA   HIS  50           HA       HIS  50 -12.213  -2.706  -4.078
  358   1HB   HIS  50          1HB       HIS  50 -11.946  -3.603  -6.854
  359   2HB   HIS  50          2HB       HIS  50 -12.460  -4.887  -5.777
  360    HD1  HIS  50           HD1      HIS  50 -14.447  -3.686  -3.929
  361    HD2  HIS  50           HD2      HIS  50 -14.169  -2.472  -7.935
  362    HE1  HIS  50           HE1      HIS  50 -16.700  -2.643  -4.518
  363    H    LEU  51           H        LEU  51 -10.196  -2.932  -2.575
  364    HA   LEU  51           HA       LEU  51  -8.773  -5.437  -3.060
  365   1HB   LEU  51          1HB       LEU  51  -8.017  -3.117  -1.282
  366   2HB   LEU  51          2HB       LEU  51  -7.020  -4.498  -1.691
  367    HG   LEU  51           HG       LEU  51  -8.033  -2.536  -3.759
  368   1HD1  LEU  51          1HD1      LEU  51  -6.654  -1.407  -2.007
  369   2HD1  LEU  51          2HD1      LEU  51  -5.312  -2.497  -2.432
  370   3HD1  LEU  51          3HD1      LEU  51  -5.953  -1.359  -3.642
  371   1HD2  LEU  51          1HD2      LEU  51  -6.482  -5.004  -3.843
  372   2HD2  LEU  51          2HD2      LEU  51  -7.274  -4.098  -5.155
  373   3HD2  LEU  51          3HD2      LEU  51  -5.639  -3.640  -4.615
  374    H    TYR  52           H        TYR  52  -7.839  -6.220  -0.671
  375    HA   TYR  52           HA       TYR  52 -10.231  -6.486   1.009
  376   1HB   TYR  52          1HB       TYR  52  -8.218  -8.215   1.919
  377   2HB   TYR  52          2HB       TYR  52  -9.467  -8.683   0.782
  378    HD1  TYR  52           HD1      TYR  52  -5.960  -7.513   1.075
  379    HD2  TYR  52           HD2      TYR  52  -8.956  -9.127  -1.518
  380    HE1  TYR  52           HE1      TYR  52  -4.188  -7.999  -0.683
  381    HE2  TYR  52           HE2      TYR  52  -7.173  -9.607  -3.267
  382    HH   TYR  52           HH       TYR  52  -3.754  -8.953  -2.583
  383    H    GLU  53           H        GLU  53  -9.220  -7.087   3.455
  384    HA   GLU  53           HA       GLU  53  -8.748  -4.444   4.255
  385   1HB   GLU  53          1HB       GLU  53  -9.967  -6.541   5.419
  386   2HB   GLU  53          2HB       GLU  53  -8.399  -6.734   6.176
  387   1HG   GLU  53          1HG       GLU  53  -9.632  -5.313   7.654
  388   2HG   GLU  53          2HG       GLU  53  -8.523  -4.246   6.817
  389    H    GLN  54           H        GLN  54  -6.642  -6.962   3.238
  390    HA   GLN  54           HA       GLN  54  -4.409  -5.792   4.637
  391   1HB   GLN  54          1HB       GLN  54  -4.760  -8.159   2.779
  392   2HB   GLN  54          2HB       GLN  54  -3.158  -7.520   3.085
  393   1HG   GLN  54          1HG       GLN  54  -3.469  -7.832   5.528
  394   2HG   GLN  54          2HG       GLN  54  -5.110  -8.389   5.270
  395   1HE2  GLN  54          1HE2      GLN  54  -3.221 -11.451   5.713
  396   2HE2  GLN  54          2HE2      GLN  54  -3.826 -10.099   6.612
  397    H    ALA  55           H        ALA  55  -6.115  -4.226   2.674
  398    HA   ALA  55           HA       ALA  55  -4.258  -3.557   0.607
  399   1HB   ALA  55          1HB       ALA  55  -6.672  -3.132   0.401
  400   2HB   ALA  55          2HB       ALA  55  -6.617  -2.054   1.815
  401   3HB   ALA  55          3HB       ALA  55  -5.760  -1.606   0.321
  402    H    ILE  56           H        ILE  56  -2.203  -3.361   1.826
  403    HA   ILE  56           HA       ILE  56  -2.008  -0.737   3.052
  404    HB   ILE  56           HB       ILE  56   0.180  -2.632   2.197
  405   1HG1  ILE  56          1HG1      ILE  56  -1.242  -3.805   3.752
  406   2HG1  ILE  56          2HG1      ILE  56   0.249  -3.352   4.554
  407   1HG2  ILE  56          1HG2      ILE  56   0.109  -0.137   3.892
  408   2HG2  ILE  56          2HG2      ILE  56   1.416  -1.339   4.023
  409   3HG2  ILE  56          3HG2      ILE  56   1.126  -0.503   2.478
  410   1HD1  ILE  56          1HD1      ILE  56  -0.962  -1.282   5.443
  411   2HD1  ILE  56          2HD1      ILE  56  -2.466  -1.992   4.810
  412   3HD1  ILE  56          3HD1      ILE  56  -1.549  -2.837   6.080
  413    H    VAL  57           H        VAL  57  -0.959   1.076   2.025
  414    HA   VAL  57           HA       VAL  57  -1.112   0.893  -0.892
  415    HB   VAL  57           HB       VAL  57  -3.176   1.707  -0.802
  416   1HG1  VAL  57          1HG1      VAL  57  -2.658   2.497   2.084
  417   2HG1  VAL  57          2HG1      VAL  57  -4.223   2.663   1.252
  418   3HG1  VAL  57          3HG1      VAL  57  -3.514   1.049   1.500
  419   1HG2  VAL  57          1HG2      VAL  57  -1.912   3.723  -1.433
  420   2HG2  VAL  57          2HG2      VAL  57  -3.399   4.134  -0.545
  421   3HG2  VAL  57          3HG2      VAL  57  -1.821   4.203   0.277
  422    H    TRP  58           H        TRP  58   0.178   2.414  -1.991
  423    HA   TRP  58           HA       TRP  58   2.406   3.367  -0.593
  424   1HB   TRP  58          1HB       TRP  58   2.564   2.814  -2.909
  425   2HB   TRP  58          2HB       TRP  58   1.309   3.959  -3.342
  426    HD1  TRP  58           HD1      TRP  58   5.050   3.793  -2.639
  427    HE1  TRP  58           HE1      TRP  58   6.246   6.094  -3.124
  428    HE3  TRP  58           HE3      TRP  58   0.778   6.484  -3.243
  429    HZ2  TRP  58           HZ2      TRP  58   5.293   8.723  -3.693
  430    HZ3  TRP  58           HZ3      TRP  58   0.999   8.913  -3.761
  431    HH2  TRP  58           HH2      TRP  58   3.159  10.035  -3.987
  432    HA   PRO  59           HA       PRO  59   3.707   4.757  -0.627
  433   1HB   PRO  59          1HB       PRO  59   4.989   6.496   1.047
  434   2HB   PRO  59          2HB       PRO  59   4.890   6.731  -0.687
  435   1HG   PRO  59          1HG       PRO  59   3.410   8.122   1.461
  436   2HG   PRO  59          2HG       PRO  59   3.646   8.613  -0.204
  437   1HD   PRO  59          1HD       PRO  59   1.266   7.483   0.929
  438   2HD   PRO  59          2HD       PRO  59   1.544   7.866  -0.758
  439    H    LEU  60           H        LEU  60   5.227   3.718   0.999
  440    HA   LEU  60           HA       LEU  60   3.984   2.845   3.347
  441   1HB   LEU  60          1HB       LEU  60   6.917   3.274   2.760
  442   2HB   LEU  60          2HB       LEU  60   6.262   2.335   4.086
  443    HG   LEU  60           HG       LEU  60   5.596   1.645   1.228
  444   1HD1  LEU  60          1HD1      LEU  60   8.052   0.772   2.774
  445   2HD1  LEU  60          2HD1      LEU  60   7.479   0.037   1.257
  446   3HD1  LEU  60          3HD1      LEU  60   8.009   1.736   1.279
  447   1HD2  LEU  60          1HD2      LEU  60   5.671   0.039   3.797
  448   2HD2  LEU  60          2HD2      LEU  60   4.226   0.586   2.914
  449   3HD2  LEU  60          3HD2      LEU  60   5.312  -0.618   2.182
  450    HA   PRO  61           HA       PRO  61   3.384   6.099   5.612
  451   1HB   PRO  61          1HB       PRO  61   3.622   5.314   8.219
  452   2HB   PRO  61          2HB       PRO  61   2.305   4.805   7.182
  453   1HG   PRO  61          1HG       PRO  61   4.658   3.260   8.079
  454   2HG   PRO  61          2HG       PRO  61   3.148   2.671   7.415
  455   1HD   PRO  61          1HD       PRO  61   5.661   2.868   6.047
  456   2HD   PRO  61          2HD       PRO  61   4.125   2.391   5.353
  457    H    ASN  62           H        ASN  62   6.477   4.873   6.693
  458    HA   ASN  62           HA       ASN  62   7.226   7.656   7.075
  459   1HB   ASN  62          1HB       ASN  62   8.585   6.954   9.078
  460   2HB   ASN  62          2HB       ASN  62   6.867   6.710   9.326
  461   1HD2  ASN  62          1HD2      ASN  62   8.758   3.706  10.477
  462   2HD2  ASN  62          2HD2      ASN  62   8.775   5.404  10.815
  463    H    LYS  63           H        LYS  63   7.594   5.736   4.823
  464    HA   LYS  63           HA       LYS  63  10.364   6.126   4.441
  465   1HB   LYS  63          1HB       LYS  63  10.934   3.678   4.173
  466   2HB   LYS  63          2HB       LYS  63  10.770   4.255   5.819
  467   1HG   LYS  63          1HG       LYS  63   8.356   3.425   5.789
  468   2HG   LYS  63          2HG       LYS  63   8.679   2.706   4.223
  469   1HD   LYS  63          1HD       LYS  63  10.355   1.217   5.144
  470   2HD   LYS  63          2HD       LYS  63  10.393   2.087   6.666
  471   1HE   LYS  63          1HE       LYS  63   7.811   0.813   5.691
  472   2HE   LYS  63          2HE       LYS  63   9.020  -0.155   6.514
  473   1HZ   LYS  63          1HZ       LYS  63   7.838   2.307   7.603
  474   2HZ   LYS  63          2HZ       LYS  63   7.393   0.791   8.020
  475   3HZ   LYS  63          3HZ       LYS  63   8.894   1.329   8.373
  476    H    ARG  64           H        ARG  64   8.528   7.246   2.969
  477    HA   ARG  64           HA       ARG  64   7.358   5.660   1.024
  478   1HB   ARG  64          1HB       ARG  64   6.942   7.786  -0.161
  479   2HB   ARG  64          2HB       ARG  64   6.669   8.009   1.555
  480   1HG   ARG  64          1HG       ARG  64   9.052   8.891   1.751
  481   2HG   ARG  64          2HG       ARG  64   9.176   8.807   0.005
  482   1HD   ARG  64          1HD       ARG  64   7.215  10.359  -0.205
  483   2HD   ARG  64          2HD       ARG  64   7.102  10.448   1.542
  484    HE   ARG  64           HE       ARG  64   9.779  11.110   0.793
  485   1HH1  ARG  64          2HH1      ARG  64   6.523  12.419   0.524
  486   2HH1  ARG  64          1HH1      ARG  64   7.052  14.067   0.488
  487   1HH2  ARG  64          1HH2      ARG  64  10.476  13.286   0.761
  488   2HH2  ARG  64          2HH2      ARG  64   9.315  14.565   0.631
  489    H    CYS  65           H        CYS  65   7.910   5.735  -1.397
  490    HA   CYS  65           HA       CYS  65  10.545   5.129  -1.970
  491   1HB   CYS  65          1HB       CYS  65   8.610   4.542  -3.377
  492   2HB   CYS  65          2HB       CYS  65   8.422   6.226  -3.827
  493    H    SER  66           H        SER  66  12.347   6.429  -2.125
  494    HA   SER  66           HA       SER  66  12.078   9.188  -1.682
  495   1HB   SER  66          1HB       SER  66  14.607   9.155  -2.155
  496   2HB   SER  66          2HB       SER  66  14.045   8.162  -0.824
  497    HG   SER  66           HG       SER  66  15.568   7.066  -2.277
  498   1HN   NH2  67          1H        SER  66  10.819   9.997  -3.377
  499   2HN   NH2  67          2H        SER  66  11.408  10.184  -4.995
   
  No H/Q in entry =         499
  Start of MODEL   14
    1   1H    LYS   1          1H        LYS   1 -11.163   1.290   0.798
    2   2H    LYS   1          2H        LYS   1 -11.310   0.777   2.365
    3   3H    LYS   1          3H        LYS   1 -10.259   2.000   1.990
    4    HA   LYS   1           HA       LYS   1  -8.820   0.360   2.169
    5   1HB   LYS   1          1HB       LYS   1  -9.322  -1.982   1.554
    6   2HB   LYS   1          2HB       LYS   1 -10.407  -1.347   2.775
    7   1HG   LYS   1          1HG       LYS   1 -12.217  -1.126   1.237
    8   2HG   LYS   1          2HG       LYS   1 -11.163  -1.188  -0.160
    9   1HD   LYS   1          1HD       LYS   1 -10.601  -3.590   0.435
   10   2HD   LYS   1          2HD       LYS   1 -11.777  -3.506   1.731
   11   1HE   LYS   1          1HE       LYS   1 -13.593  -3.060   0.120
   12   2HE   LYS   1          2HE       LYS   1 -12.447  -2.970  -1.202
   13   1HZ   LYS   1          1HZ       LYS   1 -12.887  -5.355   0.458
   14   2HZ   LYS   1          2HZ       LYS   1 -13.510  -5.125  -1.034
   15   3HZ   LYS   1          3HZ       LYS   1 -11.895  -5.258  -0.836
   16    H    GLU   2           H        GLU   2  -9.175   2.382   0.198
   17    HA   GLU   2           HA       GLU   2  -8.161   0.953  -2.137
   18   1HB   GLU   2          1HB       GLU   2  -9.573   3.647  -2.228
   19   2HB   GLU   2          2HB       GLU   2  -9.176   2.604  -3.579
   20   1HG   GLU   2          1HG       GLU   2 -11.320   1.842  -3.363
   21   2HG   GLU   2          2HG       GLU   2 -10.682   0.882  -2.044
   22    H    GLY   3           H        GLY   3  -6.336   1.960  -3.271
   23   1HA   GLY   3          1HA       GLY   3  -5.802   4.630  -3.213
   24   2HA   GLY   3          2HA       GLY   3  -4.848   3.993  -1.890
   25    H    TYR   4           H        TYR   4  -3.036   4.825  -3.355
   26    HA   TYR   4           HA       TYR   4  -2.519   3.549  -5.808
   27   1HB   TYR   4          1HB       TYR   4  -0.764   4.893  -3.659
   28   2HB   TYR   4          2HB       TYR   4  -0.203   4.556  -5.285
   29    HD1  TYR   4           HD1      TYR   4  -1.894   5.522  -7.190
   30    HD2  TYR   4           HD2      TYR   4  -1.453   7.060  -3.222
   31    HE1  TYR   4           HE1      TYR   4  -2.784   7.776  -7.957
   32    HE2  TYR   4           HE2      TYR   4  -2.345   9.309  -4.003
   33    HH   TYR   4           HH       TYR   4  -3.085   9.867  -7.421
   34    H    LEU   5           H        LEU   5  -2.116   1.397  -6.080
   35    HA   LEU   5           HA       LEU   5  -1.070  -0.354  -4.249
   36   1HB   LEU   5          1HB       LEU   5  -1.778  -1.444  -6.077
   37   2HB   LEU   5          2HB       LEU   5  -1.290  -0.172  -7.178
   38    HG   LEU   5           HG       LEU   5   1.141  -1.013  -6.648
   39   1HD1  LEU   5          1HD1      LEU   5   0.177  -2.587  -4.851
   40   2HD1  LEU   5          2HD1      LEU   5  -0.296  -3.625  -6.218
   41   3HD1  LEU   5          3HD1      LEU   5   1.418  -3.222  -5.959
   42   1HD2  LEU   5          1HD2      LEU   5  -0.804  -2.495  -8.436
   43   2HD2  LEU   5          2HD2      LEU   5   0.173  -1.067  -8.854
   44   3HD2  LEU   5          3HD2      LEU   5   0.970  -2.625  -8.527
   45    H    VAL   6           H        VAL   6   0.982  -0.913  -3.506
   46    HA   VAL   6           HA       VAL   6   2.985   1.155  -4.098
   47    HB   VAL   6           HB       VAL   6   2.033   1.380  -1.891
   48   1HG1  VAL   6          1HG1      VAL   6   2.730  -1.550  -1.605
   49   2HG1  VAL   6          2HG1      VAL   6   2.458  -0.492  -0.201
   50   3HG1  VAL   6          3HG1      VAL   6   1.153  -0.756  -1.383
   51   1HG2  VAL   6          1HG2      VAL   6   4.577   1.600  -2.383
   52   2HG2  VAL   6          2HG2      VAL   6   4.022   1.583  -0.692
   53   3HG2  VAL   6          3HG2      VAL   6   4.727   0.115  -1.412
   54    H    ASP   7           H        ASP   7   5.178   0.506  -4.343
   55    HA   ASP   7           HA       ASP   7   5.586  -2.214  -5.003
   56   1HB   ASP   7          1HB       ASP   7   7.146  -1.029  -6.184
   57   2HB   ASP   7          2HB       ASP   7   7.088   0.323  -5.071
   58    H    LYS   8           H        LYS   8   6.764  -3.809  -3.693
   59    HA   LYS   8           HA       LYS   8   6.118  -3.174  -0.925
   60   1HB   LYS   8          1HB       LYS   8   5.537  -5.337  -2.673
   61   2HB   LYS   8          2HB       LYS   8   6.574  -5.973  -1.413
   62   1HG   LYS   8          1HG       LYS   8   5.081  -4.995   0.330
   63   2HG   LYS   8          2HG       LYS   8   4.055  -4.315  -0.918
   64   1HD   LYS   8          1HD       LYS   8   2.944  -6.326  -0.335
   65   2HD   LYS   8          2HD       LYS   8   3.801  -6.751  -1.804
   66   1HE   LYS   8          1HE       LYS   8   5.626  -7.783  -0.494
   67   2HE   LYS   8          2HE       LYS   8   4.889  -7.258   1.007
   68   1HZ   LYS   8          1HZ       LYS   8   3.643  -9.094  -0.920
   69   2HZ   LYS   8          2HZ       LYS   8   4.354  -9.537   0.481
   70   3HZ   LYS   8          3HZ       LYS   8   2.996  -8.631   0.506
   71    H    ASN   9           H        ASN   9   8.803  -3.003  -2.807
   72    HA   ASN   9           HA       ASN   9  10.523  -4.243  -0.837
   73   1HB   ASN   9          1HB       ASN   9  10.719  -3.554  -3.703
   74   2HB   ASN   9          2HB       ASN   9  12.127  -3.006  -2.815
   75   1HD2  ASN   9          1HD2      ASN   9  13.554  -6.141  -3.188
   76   2HD2  ASN   9          2HD2      ASN   9  13.593  -4.438  -3.501
   77    H    THR  10           H        THR  10  10.595  -1.190  -2.848
   78    HA   THR  10           HA       THR  10  12.032   0.089  -0.644
   79    HB   THR  10           HB       THR  10  12.272   1.781  -2.761
   80    HG1  THR  10           HG1      THR  10  10.931   0.512  -4.153
   81   1HG2  THR  10          1HG2      THR  10  13.718  -0.914  -2.583
   82   2HG2  THR  10          2HG2      THR  10  14.288   0.514  -3.479
   83   3HG2  THR  10          3HG2      THR  10  14.196   0.556  -1.702
   84    H    GLY  11           H        GLY  11   8.891  -0.066  -2.071
   85   1HA   GLY  11          1HA       GLY  11   7.041   1.194  -1.799
   86   2HA   GLY  11          2HA       GLY  11   7.864   2.101  -0.545
   87    H    CYS  12           H        CYS  12   8.973   1.674  -3.951
   88    HA   CYS  12           HA       CYS  12   9.067   4.520  -4.263
   89   1HB   CYS  12          1HB       CYS  12   9.878   2.165  -5.935
   90   2HB   CYS  12          2HB       CYS  12   9.738   3.750  -6.671
   91    H    LYS  13           H        LYS  13   7.870   2.123  -6.685
   92    HA   LYS  13           HA       LYS  13   5.181   2.809  -6.593
   93   1HB   LYS  13          1HB       LYS  13   6.776   4.908  -7.668
   94   2HB   LYS  13          2HB       LYS  13   5.912   4.183  -9.008
   95   1HG   LYS  13          1HG       LYS  13   3.853   4.268  -7.281
   96   2HG   LYS  13          2HG       LYS  13   4.809   5.541  -6.550
   97   1HD   LYS  13          1HD       LYS  13   3.890   5.436  -9.461
   98   2HD   LYS  13          2HD       LYS  13   3.237   6.481  -8.214
   99   1HE   LYS  13          1HE       LYS  13   5.511   7.544  -7.954
  100   2HE   LYS  13          2HE       LYS  13   6.112   6.536  -9.255
  101   1HZ   LYS  13          1HZ       LYS  13   4.150   7.536 -10.534
  102   2HZ   LYS  13          2HZ       LYS  13   4.169   8.702  -9.390
  103   3HZ   LYS  13          3HZ       LYS  13   5.490   8.444 -10.317
  104    H    TYR  14           H        TYR  14   4.082   2.092  -8.816
  105    HA   TYR  14           HA       TYR  14   5.962   0.456 -10.368
  106   1HB   TYR  14          1HB       TYR  14   2.923   0.756 -10.074
  107   2HB   TYR  14          2HB       TYR  14   3.584  -0.062 -11.475
  108    HD1  TYR  14           HD1      TYR  14   3.420  -0.179  -7.756
  109    HD2  TYR  14           HD2      TYR  14   4.285  -2.329 -11.353
  110    HE1  TYR  14           HE1      TYR  14   3.541  -2.350  -6.438
  111    HE2  TYR  14           HE2      TYR  14   4.403  -4.492 -10.023
  112    HH   TYR  14           HH       TYR  14   4.440  -5.382  -8.037
  113    H    GLU  15           H        GLU  15   3.580   3.172 -10.551
  114    HA   GLU  15           HA       GLU  15   3.627   4.979 -11.753
  115   1HB   GLU  15          1HB       GLU  15   6.112   4.916 -11.208
  116   2HB   GLU  15          2HB       GLU  15   6.382   4.160 -12.766
  117   1HG   GLU  15          1HG       GLU  15   5.766   6.093 -13.972
  118   2HG   GLU  15          2HG       GLU  15   4.788   6.727 -12.664
  119    H    CYS  16           H        CYS  16   1.963   4.625 -13.220
  120    HA   CYS  16           HA       CYS  16   2.220   2.669 -15.244
  121   1HB   CYS  16          1HB       CYS  16   0.090   3.268 -14.132
  122   2HB   CYS  16          2HB       CYS  16   0.133   4.835 -14.916
  123    H    LEU  17           H        LEU  17   3.034   2.931 -17.327
  124    HA   LEU  17           HA       LEU  17   3.950   5.392 -18.307
  125   1HB   LEU  17          1HB       LEU  17   4.097   4.229 -20.445
  126   2HB   LEU  17          2HB       LEU  17   4.801   3.311 -19.128
  127    HG   LEU  17           HG       LEU  17   2.096   2.465 -19.365
  128   1HD1  LEU  17          1HD1      LEU  17   2.078   3.434 -21.611
  129   2HD1  LEU  17          2HD1      LEU  17   3.530   2.495 -22.035
  130   3HD1  LEU  17          3HD1      LEU  17   2.002   1.657 -21.669
  131   1HD2  LEU  17          1HD2      LEU  17   3.949   1.116 -18.528
  132   2HD2  LEU  17          2HD2      LEU  17   3.120   0.297 -19.874
  133   3HD2  LEU  17          3HD2      LEU  17   4.685   1.098 -20.148
  134    H    LYS  18           H        LYS  18   2.553   7.115 -18.303
  135    HA   LYS  18           HA       LYS  18   0.976   8.433 -19.113
  136   1HB   LYS  18          1HB       LYS  18   1.586   7.450 -21.306
  137   2HB   LYS  18          2HB       LYS  18   0.373   6.205 -21.082
  138   1HG   LYS  18          1HG       LYS  18  -0.833   8.804 -20.589
  139   2HG   LYS  18          2HG       LYS  18   0.004   8.846 -22.128
  140   1HD   LYS  18          1HD       LYS  18  -1.819   6.518 -21.424
  141   2HD   LYS  18          2HD       LYS  18  -2.484   8.007 -22.067
  142   1HE   LYS  18          1HE       LYS  18  -1.361   7.769 -24.148
  143   2HE   LYS  18          2HE       LYS  18  -0.159   6.677 -23.490
  144   1HZ   LYS  18          1HZ       LYS  18  -2.925   5.826 -23.398
  145   2HZ   LYS  18          2HZ       LYS  18  -2.181   5.813 -24.851
  146   3HZ   LYS  18          3HZ       LYS  18  -1.572   4.938 -23.615
  147    H    LEU  19           H        LEU  19  -0.705   8.914 -17.813
  148    HA   LEU  19           HA       LEU  19  -2.239   6.965 -16.523
  149   1HB   LEU  19          1HB       LEU  19  -3.560   8.785 -15.735
  150   2HB   LEU  19          2HB       LEU  19  -1.869   9.242 -15.705
  151    HG   LEU  19           HG       LEU  19  -2.897  10.105 -18.208
  152   1HD1  LEU  19          1HD1      LEU  19  -5.148   9.887 -17.285
  153   2HD1  LEU  19          2HD1      LEU  19  -4.689  10.906 -15.899
  154   3HD1  LEU  19          3HD1      LEU  19  -4.719  11.596 -17.539
  155   1HD2  LEU  19          1HD2      LEU  19  -1.055  11.110 -16.904
  156   2HD2  LEU  19          2HD2      LEU  19  -2.274  12.303 -17.411
  157   3HD2  LEU  19          3HD2      LEU  19  -2.245  11.721 -15.729
  158    H    GLY  20           H        GLY  20  -4.571   6.509 -16.793
  159   1HA   GLY  20          1HA       GLY  20  -6.567   6.805 -18.022
  160   2HA   GLY  20          2HA       GLY  20  -5.632   7.179 -19.457
  161    H    ASP  21           H        ASP  21  -3.668   5.042 -19.272
  162    HA   ASP  21           HA       ASP  21  -5.254   3.164 -20.639
  163   1HB   ASP  21          1HB       ASP  21  -2.316   3.143 -19.803
  164   2HB   ASP  21          2HB       ASP  21  -3.031   1.928 -20.845
  165    H    ASN  22           H        ASN  22  -6.682   2.315 -18.902
  166    HA   ASN  22           HA       ASN  22  -5.376   1.484 -16.493
  167   1HB   ASN  22          1HB       ASN  22  -7.742   1.110 -15.691
  168   2HB   ASN  22          2HB       ASN  22  -7.487   2.732 -16.303
  169   1HD2  ASN  22          1HD2      ASN  22 -10.535   0.710 -17.684
  170   2HD2  ASN  22          2HD2      ASN  22  -9.762   0.626 -16.136
  171    H    ASP  23           H        ASP  23  -4.544  -0.150 -18.619
  172    HA   ASP  23           HA       ASP  23  -6.066  -2.583 -18.157
  173   1HB   ASP  23          1HB       ASP  23  -5.389  -1.809 -20.528
  174   2HB   ASP  23          2HB       ASP  23  -3.734  -2.166 -20.078
  175    H    TYR  24           H        TYR  24  -2.738  -1.123 -18.147
  176    HA   TYR  24           HA       TYR  24  -1.419  -3.467 -17.348
  177   1HB   TYR  24          1HB       TYR  24  -0.762  -0.485 -16.919
  178   2HB   TYR  24          2HB       TYR  24   0.420  -1.778 -16.944
  179    HD1  TYR  24           HD1      TYR  24   0.237  -3.290 -19.219
  180    HD2  TYR  24           HD2      TYR  24  -0.895   0.817 -18.827
  181    HE1  TYR  24           HE1      TYR  24   0.534  -2.962 -21.723
  182    HE2  TYR  24           HE2      TYR  24  -0.593   1.132 -21.332
  183    HH   TYR  24           HH       TYR  24   0.412  -1.595 -23.383
  184    H    CYS  25           H        CYS  25  -2.751  -0.655 -15.518
  185    HA   CYS  25           HA       CYS  25  -1.644  -1.433 -13.064
  186   1HB   CYS  25          1HB       CYS  25  -3.970   0.354 -13.777
  187   2HB   CYS  25          2HB       CYS  25  -3.447   0.091 -12.126
  188    H    LEU  26           H        LEU  26  -4.818  -1.983 -14.715
  189    HA   LEU  26           HA       LEU  26  -6.027  -3.429 -12.669
  190   1HB   LEU  26          1HB       LEU  26  -6.658  -2.573 -15.224
  191   2HB   LEU  26          2HB       LEU  26  -6.676  -4.319 -15.372
  192    HG   LEU  26           HG       LEU  26  -8.138  -3.070 -13.075
  193   1HD1  LEU  26          1HD1      LEU  26  -9.185  -3.127 -15.918
  194   2HD1  LEU  26          2HD1      LEU  26 -10.147  -2.770 -14.465
  195   3HD1  LEU  26          3HD1      LEU  26  -8.824  -1.681 -14.946
  196   1HD2  LEU  26          1HD2      LEU  26  -8.437  -5.555 -14.761
  197   2HD2  LEU  26          2HD2      LEU  26  -8.129  -5.417 -13.013
  198   3HD2  LEU  26          3HD2      LEU  26  -9.724  -4.981 -13.673
  199    H    ARG  27           H        ARG  27  -3.731  -4.386 -15.264
  200    HA   ARG  27           HA       ARG  27  -4.126  -7.114 -14.898
  201   1HB   ARG  27          1HB       ARG  27  -2.062  -5.376 -16.252
  202   2HB   ARG  27          2HB       ARG  27  -1.645  -7.059 -15.990
  203   1HG   ARG  27          1HG       ARG  27  -3.833  -7.712 -17.111
  204   2HG   ARG  27          2HG       ARG  27  -4.102  -6.019 -17.479
  205   1HD   ARG  27          1HD       ARG  27  -1.608  -6.221 -18.499
  206   2HD   ARG  27          2HD       ARG  27  -2.053  -7.911 -18.628
  207    HE   ARG  27           HE       ARG  27  -4.192  -6.264 -19.640
  208   1HH1  ARG  27          2HH1      ARG  27  -1.010  -7.512 -20.474
  209   2HH1  ARG  27          1HH1      ARG  27  -1.269  -7.388 -22.182
  210   1HH2  ARG  27          1HH2      ARG  27  -4.441  -5.891 -21.891
  211   2HH2  ARG  27          2HH2      ARG  27  -3.291  -6.573 -22.992
  212    H    GLU  28           H        GLU  28  -1.890  -4.700 -13.457
  213    HA   GLU  28           HA       GLU  28  -0.119  -6.618 -12.432
  214   1HB   GLU  28          1HB       GLU  28   0.158  -4.024 -12.903
  215   2HB   GLU  28          2HB       GLU  28  -0.409  -3.848 -11.253
  216   1HG   GLU  28          1HG       GLU  28   1.914  -3.993 -10.940
  217   2HG   GLU  28          2HG       GLU  28   1.421  -5.653 -10.672
  218    H    CYS  29           H        CYS  29  -2.775  -4.628 -10.967
  219    HA   CYS  29           HA       CYS  29  -2.385  -5.624  -8.381
  220   1HB   CYS  29          1HB       CYS  29  -4.274  -3.885  -9.764
  221   2HB   CYS  29          2HB       CYS  29  -5.055  -4.864  -8.538
  222    H    LYS  30           H        LYS  30  -3.897  -6.867 -11.301
  223    HA   LYS  30           HA       LYS  30  -5.661  -8.713 -10.224
  224   1HB   LYS  30          1HB       LYS  30  -4.839  -7.990 -12.731
  225   2HB   LYS  30          2HB       LYS  30  -4.107  -9.575 -12.586
  226   1HG   LYS  30          1HG       LYS  30  -6.262 -10.605 -12.058
  227   2HG   LYS  30          2HG       LYS  30  -7.037  -9.039 -11.923
  228   1HD   LYS  30          1HD       LYS  30  -5.666  -9.803 -14.516
  229   2HD   LYS  30          2HD       LYS  30  -7.260 -10.442 -14.164
  230   1HE   LYS  30          1HE       LYS  30  -8.223  -8.220 -14.014
  231   2HE   LYS  30          2HE       LYS  30  -6.643  -7.461 -13.992
  232   1HZ   LYS  30          1HZ       LYS  30  -7.696  -9.015 -16.253
  233   2HZ   LYS  30          2HZ       LYS  30  -7.710  -7.385 -16.160
  234   3HZ   LYS  30          3HZ       LYS  30  -6.289  -8.186 -16.225
  235    H    GLN  31           H        GLN  31  -2.113  -9.028 -10.948
  236    HA   GLN  31           HA       GLN  31  -2.292 -11.643  -9.681
  237   1HB   GLN  31          1HB       GLN  31  -0.133 -10.619 -11.574
  238   2HB   GLN  31          2HB       GLN  31  -0.341 -12.269 -11.020
  239   1HG   GLN  31          1HG       GLN  31  -2.824 -11.861 -12.060
  240   2HG   GLN  31          2HG       GLN  31  -1.926 -10.730 -13.054
  241   1HE2  GLN  31          1HE2      GLN  31   0.147 -13.180 -14.638
  242   2HE2  GLN  31          2HE2      GLN  31   0.141 -11.572 -13.994
  243    H    GLN  32           H        GLN  32  -2.097  -9.189  -8.083
  244    HA   GLN  32           HA       GLN  32  -0.085 -10.465  -6.504
  245   1HB   GLN  32          1HB       GLN  32   1.102  -8.436  -5.861
  246   2HB   GLN  32          2HB       GLN  32   1.167  -8.597  -7.604
  247   1HG   GLN  32          1HG       GLN  32  -0.918  -7.069  -7.688
  248   2HG   GLN  32          2HG       GLN  32  -0.640  -6.751  -5.987
  249   1HE2  GLN  32          1HE2      GLN  32   2.690  -5.305  -6.626
  250   2HE2  GLN  32          2HE2      GLN  32   1.859  -6.382  -5.552
  251    H    TYR  33           H        TYR  33  -2.624  -7.938  -6.867
  252    HA   TYR  33           HA       TYR  33  -3.194  -8.188  -4.000
  253   1HB   TYR  33          1HB       TYR  33  -3.027  -6.077  -6.018
  254   2HB   TYR  33          2HB       TYR  33  -4.686  -6.145  -5.457
  255    HD1  TYR  33           HD1      TYR  33  -4.445  -6.766  -2.611
  256    HD2  TYR  33           HD2      TYR  33  -2.028  -4.213  -5.049
  257    HE1  TYR  33           HE1      TYR  33  -3.802  -5.407  -0.562
  258    HE2  TYR  33           HE2      TYR  33  -1.393  -2.863  -2.991
  259    HH   TYR  33           HH       TYR  33  -1.653  -2.590  -0.870
  260    H    GLY  34           H        GLY  34  -4.083  -9.797  -6.691
  261   1HA   GLY  34          1HA       GLY  34  -5.629 -11.523  -6.076
  262   2HA   GLY  34          2HA       GLY  34  -6.682 -10.306  -5.381
  263    H    LYS  35           H        LYS  35  -7.014 -12.379  -7.650
  264    HA   LYS  35           HA       LYS  35  -7.115 -10.767 -10.027
  265   1HB   LYS  35          1HB       LYS  35  -7.868 -13.653  -9.481
  266   2HB   LYS  35          2HB       LYS  35  -7.913 -12.897 -11.062
  267   1HG   LYS  35          1HG       LYS  35  -5.441 -12.280 -10.720
  268   2HG   LYS  35          2HG       LYS  35  -5.461 -13.293  -9.290
  269   1HD   LYS  35          1HD       LYS  35  -5.744 -15.280 -10.523
  270   2HD   LYS  35          2HD       LYS  35  -6.485 -14.459 -11.882
  271   1HE   LYS  35          1HE       LYS  35  -4.325 -13.485 -12.547
  272   2HE   LYS  35          2HE       LYS  35  -3.551 -14.114 -11.106
  273   1HZ   LYS  35          1HZ       LYS  35  -4.786 -15.774 -13.193
  274   2HZ   LYS  35          2HZ       LYS  35  -3.184 -15.502 -13.038
  275   3HZ   LYS  35          3HZ       LYS  35  -3.989 -16.326 -11.880
  276    H    GLY  36           H        GLY  36  -8.635  -9.220  -8.688
  277   1HA   GLY  36          1HA       GLY  36 -11.099  -9.529 -10.122
  278   2HA   GLY  36          2HA       GLY  36 -11.317  -9.639  -8.387
  279    H    ALA  37           H        ALA  37  -9.090  -7.620 -10.460
  280    HA   ALA  37           HA       ALA  37  -9.466  -5.549  -8.457
  281   1HB   ALA  37          1HB       ALA  37  -7.191  -6.319  -9.007
  282   2HB   ALA  37          2HB       ALA  37  -7.446  -5.880 -10.712
  283   3HB   ALA  37          3HB       ALA  37  -7.408  -4.613  -9.463
  284    H    GLY  38           H        GLY  38  -9.936  -3.327  -9.032
  285   1HA   GLY  38          1HA       GLY  38 -11.000  -2.994 -11.775
  286   2HA   GLY  38          2HA       GLY  38 -11.690  -2.230 -10.357
  287    H    GLY  39           H        GLY  39  -8.375  -2.355  -9.798
  288   1HA   GLY  39          1HA       GLY  39  -7.988   0.339  -9.668
  289   2HA   GLY  39          2HA       GLY  39  -6.711  -0.839  -9.906
  290    H    TYR  40           H        TYR  40  -6.615   1.806 -10.994
  291    HA   TYR  40           HA       TYR  40  -6.434   1.157 -13.807
  292   1HB   TYR  40          1HB       TYR  40  -7.714   3.518 -14.065
  293   2HB   TYR  40          2HB       TYR  40  -8.647   2.044 -13.896
  294    HD1  TYR  40           HD1      TYR  40  -7.097   4.726 -11.778
  295    HD2  TYR  40           HD2      TYR  40 -10.313   1.947 -12.271
  296    HE1  TYR  40           HE1      TYR  40  -8.247   5.681  -9.723
  297    HE2  TYR  40           HE2      TYR  40 -11.452   2.912 -10.213
  298    HH   TYR  40           HH       TYR  40 -11.365   4.367  -8.627
  299    H    CYS  41           H        CYS  41  -5.604   3.288 -15.010
  300    HA   CYS  41           HA       CYS  41  -3.231   3.882 -13.476
  301   1HB   CYS  41          1HB       CYS  41  -3.969   4.101 -16.384
  302   2HB   CYS  41          2HB       CYS  41  -2.545   4.906 -15.753
  303    H    TYR  42           H        TYR  42  -3.725   5.572 -12.019
  304    HA   TYR  42           HA       TYR  42  -4.928   7.989 -13.028
  305   1HB   TYR  42          1HB       TYR  42  -4.241   6.667 -10.539
  306   2HB   TYR  42          2HB       TYR  42  -3.347   8.173 -10.555
  307    HD1  TYR  42           HD1      TYR  42  -6.824   7.053 -11.458
  308    HD2  TYR  42           HD2      TYR  42  -4.371   9.929  -9.453
  309    HE1  TYR  42           HE1      TYR  42  -8.901   8.301 -10.690
  310    HE2  TYR  42           HE2      TYR  42  -6.456  11.167  -8.692
  311    HH   TYR  42           HH       TYR  42  -8.609  11.228  -8.689
  312    H    ALA  43           H        ALA  43  -3.330   9.966 -11.834
  313    HA   ALA  43           HA       ALA  43  -1.574  10.523 -13.881
  314   1HB   ALA  43          1HB       ALA  43  -1.631  11.514 -11.002
  315   2HB   ALA  43          2HB       ALA  43  -0.735  12.289 -12.331
  316   3HB   ALA  43          3HB       ALA  43  -2.513  12.210 -12.381
  317    H    PHE  44           H        PHE  44  -0.264   8.671 -14.332
  318    HA   PHE  44           HA       PHE  44   1.506   7.360 -14.145
  319   1HB   PHE  44          1HB       PHE  44   2.583   9.636 -12.385
  320   2HB   PHE  44          2HB       PHE  44   3.538   8.573 -13.398
  321    HD1  PHE  44           HD1      PHE  44   2.908   8.652 -15.972
  322    HD2  PHE  44           HD2      PHE  44   2.062  11.739 -13.187
  323    HE1  PHE  44           HE1      PHE  44   2.757  10.308 -17.852
  324    HE2  PHE  44           HE2      PHE  44   1.910  13.395 -15.066
  325    HZ   PHE  44           HZ       PHE  44   2.261  12.660 -17.377
  326    H    ALA  45           H        ALA  45  -0.481   6.749 -12.202
  327    HA   ALA  45           HA       ALA  45   1.179   5.245 -10.437
  328   1HB   ALA  45          1HB       ALA  45   1.119   7.381  -9.208
  329   2HB   ALA  45          2HB       ALA  45  -0.659   7.377  -9.274
  330   3HB   ALA  45          3HB       ALA  45   0.200   6.127  -8.343
  331    H    CYS  46           H        CYS  46   0.016   3.460  -9.528
  332    HA   CYS  46           HA       CYS  46  -2.420   2.981 -11.030
  333   1HB   CYS  46          1HB       CYS  46  -0.538   1.148  -9.540
  334   2HB   CYS  46          2HB       CYS  46  -2.064   0.612 -10.214
  335    H    TRP  47           H        TRP  47  -4.123   3.951  -9.886
  336    HA   TRP  47           HA       TRP  47  -4.309   3.578  -7.031
  337   1HB   TRP  47          1HB       TRP  47  -5.038   5.666  -8.013
  338   2HB   TRP  47          2HB       TRP  47  -6.170   4.829  -9.059
  339    HD1  TRP  47           HD1      TRP  47  -8.271   3.509  -7.653
  340    HE1  TRP  47           HE1      TRP  47  -9.629   4.226  -5.507
  341    HE3  TRP  47           HE3      TRP  47  -4.844   6.862  -5.960
  342    HZ2  TRP  47           HZ2      TRP  47  -9.130   6.073  -3.389
  343    HZ3  TRP  47           HZ3      TRP  47  -5.356   8.080  -3.846
  344    HH2  TRP  47           HH2      TRP  47  -7.413   7.730  -2.572
  345    H    CYS  48           H        CYS  48  -4.932   1.620  -6.226
  346    HA   CYS  48           HA       CYS  48  -6.652  -0.013  -7.937
  347   1HB   CYS  48          1HB       CYS  48  -4.666  -0.741  -5.788
  348   2HB   CYS  48          2HB       CYS  48  -5.869  -1.876  -6.370
  349    H    THR  49           H        THR  49  -8.516  -1.109  -6.863
  350    HA   THR  49           HA       THR  49  -9.483   0.259  -4.503
  351    HB   THR  49           HB       THR  49  -9.726   2.032  -6.183
  352    HG1  THR  49           HG1      THR  49 -11.957   2.200  -5.776
  353   1HG2  THR  49          1HG2      THR  49 -11.223  -0.089  -7.811
  354   2HG2  THR  49          2HG2      THR  49 -11.145   1.645  -8.208
  355   3HG2  THR  49          3HG2      THR  49  -9.670   0.651  -8.266
  356    H    HIS  50           H        HIS  50  -8.986  -2.520  -5.259
  357    HA   HIS  50           HA       HIS  50 -11.586  -3.351  -4.371
  358   1HB   HIS  50          1HB       HIS  50 -11.452  -3.472  -6.979
  359   2HB   HIS  50          2HB       HIS  50 -10.442  -4.876  -6.698
  360    HD1  HIS  50           HD1      HIS  50 -11.773  -6.501  -4.626
  361    HD2  HIS  50           HD2      HIS  50 -13.998  -4.310  -7.427
  362    HE1  HIS  50           HE1      HIS  50 -14.079  -7.590  -4.716
  363    H    LEU  51           H        LEU  51  -8.797  -3.018  -3.343
  364    HA   LEU  51           HA       LEU  51  -7.681  -5.598  -3.061
  365   1HB   LEU  51          1HB       LEU  51  -7.349  -3.183  -1.280
  366   2HB   LEU  51          2HB       LEU  51  -6.290  -4.576  -1.374
  367    HG   LEU  51           HG       LEU  51  -5.080  -3.176  -2.672
  368   1HD1  LEU  51          1HD1      LEU  51  -5.959  -5.076  -4.117
  369   2HD1  LEU  51          2HD1      LEU  51  -7.052  -3.877  -4.850
  370   3HD1  LEU  51          3HD1      LEU  51  -5.289  -3.664  -4.968
  371   1HD2  LEU  51          1HD2      LEU  51  -7.003  -1.406  -2.296
  372   2HD2  LEU  51          2HD2      LEU  51  -5.744  -1.164  -3.531
  373   3HD2  LEU  51          3HD2      LEU  51  -7.353  -1.763  -4.005
  374    H    TYR  52           H        TYR  52  -7.321  -6.185  -0.438
  375    HA   TYR  52           HA       TYR  52 -10.043  -6.373   0.648
  376   1HB   TYR  52          1HB       TYR  52  -8.246  -7.936   2.161
  377   2HB   TYR  52          2HB       TYR  52  -9.243  -8.555   0.860
  378    HD1  TYR  52           HD1      TYR  52  -5.866  -7.312   1.731
  379    HD2  TYR  52           HD2      TYR  52  -8.287  -9.182  -1.260
  380    HE1  TYR  52           HE1      TYR  52  -3.778  -7.934   0.419
  381    HE2  TYR  52           HE2      TYR  52  -6.191  -9.797  -2.563
  382    HH   TYR  52           HH       TYR  52  -4.005  -9.922  -2.495
  383    H    GLU  53           H        GLU  53  -9.525  -6.796   3.320
  384    HA   GLU  53           HA       GLU  53  -9.346  -4.246   4.252
  385   1HB   GLU  53          1HB       GLU  53 -10.306  -6.251   5.448
  386   2HB   GLU  53          2HB       GLU  53  -8.675  -6.785   5.803
  387   1HG   GLU  53          1HG       GLU  53  -8.224  -4.768   7.116
  388   2HG   GLU  53          2HG       GLU  53  -9.740  -4.042   6.615
  389    H    GLN  54           H        GLN  54  -6.786  -6.507   3.405
  390    HA   GLN  54           HA       GLN  54  -4.830  -4.941   4.829
  391   1HB   GLN  54          1HB       GLN  54  -5.022  -7.654   3.980
  392   2HB   GLN  54          2HB       GLN  54  -3.697  -6.961   3.067
  393   1HG   GLN  54          1HG       GLN  54  -2.732  -6.065   5.231
  394   2HG   GLN  54          2HG       GLN  54  -4.015  -6.878   6.104
  395   1HE2  GLN  54          1HE2      GLN  54  -0.919  -8.976   4.336
  396   2HE2  GLN  54          2HE2      GLN  54  -1.321  -7.357   3.872
  397    H    ALA  55           H        ALA  55  -6.443  -3.774   2.556
  398    HA   ALA  55           HA       ALA  55  -4.713  -3.171   0.467
  399   1HB   ALA  55          1HB       ALA  55  -7.130  -2.511   0.716
  400   2HB   ALA  55          2HB       ALA  55  -6.624  -1.296   1.914
  401   3HB   ALA  55          3HB       ALA  55  -6.063  -1.172   0.229
  402    H    ILE  56           H        ILE  56  -2.512  -3.008   1.098
  403    HA   ILE  56           HA       ILE  56  -1.903  -0.649   2.694
  404    HB   ILE  56           HB       ILE  56  -0.051  -2.591   1.311
  405   1HG1  ILE  56          1HG1      ILE  56  -1.359  -3.817   2.921
  406   2HG1  ILE  56          2HG1      ILE  56   0.261  -3.591   3.550
  407   1HG2  ILE  56          1HG2      ILE  56   0.388  -0.347   3.284
  408   2HG2  ILE  56          2HG2      ILE  56   1.568  -1.657   3.035
  409   3HG2  ILE  56          3HG2      ILE  56   1.129  -0.586   1.683
  410   1HD1  ILE  56          1HD1      ILE  56  -0.623  -1.535   4.803
  411   2HD1  ILE  56          2HD1      ILE  56  -2.256  -2.064   4.332
  412   3HD1  ILE  56          3HD1      ILE  56  -1.247  -3.105   5.363
  413    H    VAL  57           H        VAL  57  -1.328   1.312   1.828
  414    HA   VAL  57           HA       VAL  57  -1.206   1.410  -1.103
  415    HB   VAL  57           HB       VAL  57  -3.242   2.304  -1.009
  416   1HG1  VAL  57          1HG1      VAL  57  -2.787   2.906   1.933
  417   2HG1  VAL  57          2HG1      VAL  57  -4.312   3.183   1.059
  418   3HG1  VAL  57          3HG1      VAL  57  -3.682   1.530   1.247
  419   1HG2  VAL  57          1HG2      VAL  57  -1.842   4.274  -1.477
  420   2HG2  VAL  57          2HG2      VAL  57  -3.334   4.719  -0.614
  421   3HG2  VAL  57          3HG2      VAL  57  -1.785   4.647   0.262
  422    H    TRP  58           H        TRP  58   0.118   3.110  -1.975
  423    HA   TRP  58           HA       TRP  58   2.494   3.326  -0.570
  424   1HB   TRP  58          1HB       TRP  58   2.399   3.399  -2.974
  425   2HB   TRP  58          2HB       TRP  58   1.445   4.868  -2.945
  426    HD1  TRP  58           HD1      TRP  58   5.061   3.677  -2.641
  427    HE1  TRP  58           HE1      TRP  58   6.759   5.697  -2.626
  428    HE3  TRP  58           HE3      TRP  58   1.539   7.316  -2.198
  429    HZ2  TRP  58           HZ2      TRP  58   6.445   8.527  -2.436
  430    HZ3  TRP  58           HZ3      TRP  58   2.318   9.682  -2.105
  431    HH2  TRP  58           HH2      TRP  58   4.678  10.312  -2.216
  432    HA   PRO  59           HA       PRO  59   4.015   4.346  -0.265
  433   1HB   PRO  59          1HB       PRO  59   5.663   5.390   1.648
  434   2HB   PRO  59          2HB       PRO  59   5.589   6.004   0.008
  435   1HG   PRO  59          1HG       PRO  59   4.472   7.180   2.480
  436   2HG   PRO  59          2HG       PRO  59   4.782   7.954   0.938
  437   1HD   PRO  59          1HD       PRO  59   2.234   7.120   1.958
  438   2HD   PRO  59          2HD       PRO  59   2.561   7.788   0.372
  439    H    LEU  60           H        LEU  60   5.483   2.883   1.260
  440    HA   LEU  60           HA       LEU  60   4.024   1.812   3.409
  441   1HB   LEU  60          1HB       LEU  60   6.976   1.940   2.797
  442   2HB   LEU  60          2HB       LEU  60   6.311   1.077   4.169
  443    HG   LEU  60           HG       LEU  60   6.305  -0.692   2.801
  444   1HD1  LEU  60          1HD1      LEU  60   3.910  -0.233   3.020
  445   2HD1  LEU  60          2HD1      LEU  60   3.952   0.731   1.524
  446   3HD1  LEU  60          3HD1      LEU  60   4.286  -1.016   1.466
  447   1HD2  LEU  60          1HD2      LEU  60   7.689   0.571   1.158
  448   2HD2  LEU  60          2HD2      LEU  60   6.619  -0.645   0.420
  449   3HD2  LEU  60          3HD2      LEU  60   6.188   1.080   0.347
  450    HA   PRO  61           HA       PRO  61   3.697   4.758   6.110
  451   1HB   PRO  61          1HB       PRO  61   3.750   3.591   8.581
  452   2HB   PRO  61          2HB       PRO  61   2.425   3.386   7.452
  453   1HG   PRO  61          1HG       PRO  61   4.561   1.473   8.169
  454   2HG   PRO  61          2HG       PRO  61   3.021   1.159   7.394
  455   1HD   PRO  61          1HD       PRO  61   5.592   1.262   6.125
  456   2HD   PRO  61          2HD       PRO  61   4.040   1.063   5.335
  457    H    ASN  62           H        ASN  62   6.549   3.024   7.202
  458    HA   ASN  62           HA       ASN  62   7.767   5.611   7.565
  459   1HB   ASN  62          1HB       ASN  62   8.765   4.783   9.790
  460   2HB   ASN  62          2HB       ASN  62   7.060   5.187   9.839
  461   1HD2  ASN  62          1HD2      ASN  62   6.735   2.127  11.536
  462   2HD2  ASN  62          2HD2      ASN  62   6.909   3.844  11.684
  463    H    LYS  63           H        LYS  63   8.154   3.735   5.461
  464    HA   LYS  63           HA       LYS  63  10.956   3.770   5.625
  465   1HB   LYS  63          1HB       LYS  63  11.265   1.272   5.187
  466   2HB   LYS  63          2HB       LYS  63  10.967   1.771   6.840
  467   1HG   LYS  63          1HG       LYS  63   8.474   1.301   6.419
  468   2HG   LYS  63          2HG       LYS  63   8.945   0.578   4.893
  469   1HD   LYS  63          1HD       LYS  63   9.183  -1.357   6.075
  470   2HD   LYS  63          2HD       LYS  63  10.691  -0.671   6.645
  471   1HE   LYS  63          1HE       LYS  63   7.989  -0.344   8.038
  472   2HE   LYS  63          2HE       LYS  63   9.233  -1.480   8.520
  473   1HZ   LYS  63          1HZ       LYS  63  10.713   0.504   8.717
  474   2HZ   LYS  63          2HZ       LYS  63   9.389   1.445   8.558
  475   3HZ   LYS  63          3HZ       LYS  63   9.513   0.417   9.820
  476    H    ARG  64           H        ARG  64  10.536   5.145   3.754
  477    HA   ARG  64           HA       ARG  64   8.916   3.808   1.738
  478   1HB   ARG  64          1HB       ARG  64   7.893   6.131   1.332
  479   2HB   ARG  64          2HB       ARG  64   7.443   5.366   2.843
  480   1HG   ARG  64          1HG       ARG  64   9.915   7.048   2.945
  481   2HG   ARG  64          2HG       ARG  64   8.425   7.923   2.653
  482   1HD   ARG  64          1HD       ARG  64   8.876   5.974   4.967
  483   2HD   ARG  64          2HD       ARG  64   8.959   7.720   5.100
  484    HE   ARG  64           HE       ARG  64   6.504   6.105   4.676
  485   1HH1  ARG  64          2HH1      ARG  64   7.776   9.322   4.245
  486   2HH1  ARG  64          1HH1      ARG  64   6.382  10.119   4.892
  487   1HH2  ARG  64          1HH2      ARG  64   4.743   7.151   5.827
  488   2HH2  ARG  64          2HH2      ARG  64   4.548   8.854   5.577
  489    H    CYS  65           H        CYS  65   9.299   4.509  -0.505
  490    HA   CYS  65           HA       CYS  65  11.771   6.040  -0.811
  491   1HB   CYS  65          1HB       CYS  65  12.161   4.125  -1.985
  492   2HB   CYS  65          2HB       CYS  65  10.474   3.879  -2.389
  493    H    SER  66           H        SER  66  11.733   7.969  -2.066
  494    HA   SER  66           HA       SER  66   9.264   9.283  -2.081
  495   1HB   SER  66          1HB       SER  66  10.518  11.150  -3.100
  496   2HB   SER  66          2HB       SER  66  11.408  10.462  -1.757
  497    HG   SER  66           HG       SER  66  12.789  10.823  -3.597
  498   1HN   NH2  67          1H        SER  66  11.497   8.427  -4.751
  499   2HN   NH2  67          2H        SER  66  10.295   8.269  -5.988
   
  No H/Q in entry =         499
  Start of MODEL   15
    1   1H    LYS   1          1H        LYS   1 -11.197   1.145  -0.256
    2   2H    LYS   1          2H        LYS   1 -10.670  -0.424  -0.309
    3   3H    LYS   1          3H        LYS   1 -11.459   0.139   1.034
    4    HA   LYS   1           HA       LYS   1  -9.739   1.634   1.526
    5   1HB   LYS   1          1HB       LYS   1  -9.768  -0.898   2.191
    6   2HB   LYS   1          2HB       LYS   1  -8.405  -1.028   1.097
    7   1HG   LYS   1          1HG       LYS   1  -7.139   0.644   2.348
    8   2HG   LYS   1          2HG       LYS   1  -8.535   1.050   3.327
    9   1HD   LYS   1          1HD       LYS   1  -8.543  -1.261   4.283
   10   2HD   LYS   1          2HD       LYS   1  -7.156  -1.677   3.298
   11   1HE   LYS   1          1HE       LYS   1  -5.944   0.323   4.428
   12   2HE   LYS   1          2HE       LYS   1  -7.276   0.351   5.568
   13   1HZ   LYS   1          1HZ       LYS   1  -6.794  -1.947   6.091
   14   2HZ   LYS   1          2HZ       LYS   1  -5.549  -1.967   5.034
   15   3HZ   LYS   1          3HZ       LYS   1  -5.483  -1.011   6.356
   16    H    GLU   2           H        GLU   2  -9.708   2.965  -0.583
   17    HA   GLU   2           HA       GLU   2  -8.169   1.661  -2.650
   18   1HB   GLU   2          1HB       GLU   2  -9.786   4.225  -2.902
   19   2HB   GLU   2          2HB       GLU   2  -9.271   3.157  -4.193
   20   1HG   GLU   2          1HG       GLU   2 -11.394   2.305  -3.978
   21   2HG   GLU   2          2HG       GLU   2 -10.670   1.365  -2.688
   22    H    GLY   3           H        GLY   3  -6.410   2.744  -3.790
   23   1HA   GLY   3          1HA       GLY   3  -5.954   5.475  -3.620
   24   2HA   GLY   3          2HA       GLY   3  -4.918   4.728  -2.419
   25    H    TYR   4           H        TYR   4  -3.107   5.544  -3.792
   26    HA   TYR   4           HA       TYR   4  -2.741   4.200  -6.324
   27   1HB   TYR   4          1HB       TYR   4  -1.179   6.124  -4.503
   28   2HB   TYR   4          2HB       TYR   4  -0.477   5.518  -5.990
   29    HD1  TYR   4           HD1      TYR   4  -1.991   5.866  -8.159
   30    HD2  TYR   4           HD2      TYR   4  -2.326   8.147  -4.555
   31    HE1  TYR   4           HE1      TYR   4  -3.110   7.751  -9.447
   32    HE2  TYR   4           HE2      TYR   4  -3.445  10.024  -5.855
   33    HH   TYR   4           HH       TYR   4  -3.945   9.737  -9.364
   34    H    LEU   5           H        LEU   5  -1.922   2.150  -6.464
   35    HA   LEU   5           HA       LEU   5  -1.514   0.801  -4.068
   36   1HB   LEU   5          1HB       LEU   5  -1.553  -1.071  -5.324
   37   2HB   LEU   5          2HB       LEU   5  -2.277   0.048  -6.461
   38    HG   LEU   5           HG       LEU   5   0.570   0.082  -6.837
   39   1HD1  LEU   5          1HD1      LEU   5  -0.665  -2.686  -6.845
   40   2HD1  LEU   5          2HD1      LEU   5   0.909  -2.258  -7.557
   41   3HD1  LEU   5          3HD1      LEU   5   0.655  -2.102  -5.802
   42   1HD2  LEU   5          1HD2      LEU   5  -1.366   0.612  -8.428
   43   2HD2  LEU   5          2HD2      LEU   5   0.030  -0.273  -9.088
   44   3HD2  LEU   5          3HD2      LEU   5  -1.469  -1.146  -8.690
   45    H    VAL   6           H        VAL   6   0.527  -0.667  -3.691
   46    HA   VAL   6           HA       VAL   6   2.777   1.219  -3.795
   47    HB   VAL   6           HB       VAL   6   1.631   1.395  -1.668
   48   1HG1  VAL   6          1HG1      VAL   6   2.005  -1.611  -1.530
   49   2HG1  VAL   6          2HG1      VAL   6   1.612  -0.602  -0.117
   50   3HG1  VAL   6          3HG1      VAL   6   0.481  -0.691  -1.489
   51   1HG2  VAL   6          1HG2      VAL   6   4.203   1.379  -1.896
   52   2HG2  VAL   6          2HG2      VAL   6   3.504   1.216  -0.267
   53   3HG2  VAL   6          3HG2      VAL   6   4.123  -0.220  -1.118
   54    H    ASP   7           H        ASP   7   4.863   0.300  -3.949
   55    HA   ASP   7           HA       ASP   7   4.875  -2.434  -4.790
   56   1HB   ASP   7          1HB       ASP   7   6.276  -0.831  -5.991
   57   2HB   ASP   7          2HB       ASP   7   7.040  -0.304  -4.504
   58    H    LYS   8           H        LYS   8   5.711  -4.180  -3.514
   59    HA   LYS   8           HA       LYS   8   5.383  -3.632  -0.753
   60   1HB   LYS   8          1HB       LYS   8   5.652  -6.036  -2.489
   61   2HB   LYS   8          2HB       LYS   8   6.069  -6.234  -0.799
   62   1HG   LYS   8          1HG       LYS   8   3.830  -5.104  -0.227
   63   2HG   LYS   8          2HG       LYS   8   3.423  -5.219  -1.928
   64   1HD   LYS   8          1HD       LYS   8   4.145  -7.790  -1.560
   65   2HD   LYS   8          2HD       LYS   8   3.739  -7.425   0.105
   66   1HE   LYS   8          1HE       LYS   8   1.599  -7.943  -0.525
   67   2HE   LYS   8          2HE       LYS   8   1.571  -6.319  -1.183
   68   1HZ   LYS   8          1HZ       LYS   8   2.392  -7.271  -3.273
   69   2HZ   LYS   8          2HZ       LYS   8   2.254  -8.772  -2.645
   70   3HZ   LYS   8          3HZ       LYS   8   0.924  -7.849  -2.850
   71    H    ASN   9           H        ASN   9   8.096  -3.694  -2.918
   72    HA   ASN   9           HA       ASN   9   9.922  -4.529  -0.875
   73   1HB   ASN   9          1HB       ASN   9   9.950  -4.160  -3.807
   74   2HB   ASN   9          2HB       ASN   9  11.404  -3.522  -3.065
   75   1HD2  ASN   9          1HD2      ASN   9  12.703  -6.751  -3.401
   76   2HD2  ASN   9          2HD2      ASN   9  12.648  -5.131  -4.012
   77    H    THR  10           H        THR  10   9.885  -1.722  -3.220
   78    HA   THR  10           HA       THR  10  11.512  -0.250  -1.294
   79    HB   THR  10           HB       THR  10  11.640   1.234  -3.521
   80    HG1  THR  10           HG1      THR  10   9.979   0.046  -4.634
   81   1HG2  THR  10          1HG2      THR  10  12.822  -1.592  -3.433
   82   2HG2  THR  10          2HG2      THR  10  13.411  -0.245  -4.436
   83   3HG2  THR  10          3HG2      THR  10  13.554  -0.164  -2.663
   84    H    GLY  11           H        GLY  11   8.238  -0.562  -2.160
   85   1HA   GLY  11          1HA       GLY  11   6.444   0.798  -2.120
   86   2HA   GLY  11          2HA       GLY  11   7.211   1.524  -0.723
   87    H    CYS  12           H        CYS  12   8.271   1.509  -4.190
   88    HA   CYS  12           HA       CYS  12   8.345   4.419  -4.030
   89   1HB   CYS  12          1HB       CYS  12  10.131   2.483  -5.074
   90   2HB   CYS  12          2HB       CYS  12   9.497   3.373  -6.443
   91    H    LYS  13           H        LYS  13   6.365   1.848  -5.021
   92    HA   LYS  13           HA       LYS  13   4.372   1.925  -5.975
   93   1HB   LYS  13          1HB       LYS  13   3.260   3.828  -5.667
   94   2HB   LYS  13          2HB       LYS  13   4.777   4.565  -5.193
   95   1HG   LYS  13          1HG       LYS  13   5.195   4.981  -7.720
   96   2HG   LYS  13          2HG       LYS  13   3.516   4.542  -7.967
   97   1HD   LYS  13          1HD       LYS  13   4.406   6.732  -6.034
   98   2HD   LYS  13          2HD       LYS  13   3.955   7.045  -7.699
   99   1HE   LYS  13          1HE       LYS  13   1.705   5.949  -7.227
  100   2HE   LYS  13          2HE       LYS  13   2.168   5.825  -5.542
  101   1HZ   LYS  13          1HZ       LYS  13   1.999   8.332  -7.067
  102   2HZ   LYS  13          2HZ       LYS  13   0.908   7.811  -5.970
  103   3HZ   LYS  13          3HZ       LYS  13   2.417   8.212  -5.493
  104    H    TYR  14           H        TYR  14   3.294   2.185  -8.187
  105    HA   TYR  14           HA       TYR  14   5.413   1.926 -10.211
  106   1HB   TYR  14          1HB       TYR  14   2.533   0.840 -10.018
  107   2HB   TYR  14          2HB       TYR  14   3.670   0.427 -11.286
  108    HD1  TYR  14           HD1      TYR  14   5.808  -0.838 -10.632
  109    HD2  TYR  14           HD2      TYR  14   2.459  -0.397  -8.006
  110    HE1  TYR  14           HE1      TYR  14   6.626  -2.807  -9.245
  111    HE2  TYR  14           HE2      TYR  14   3.288  -2.366  -6.628
  112    HH   TYR  14           HH       TYR  14   6.428  -3.715  -7.121
  113    H    GLU  15           H        GLU  15   5.273   3.077 -12.134
  114    HA   GLU  15           HA       GLU  15   3.158   5.032 -12.250
  115   1HB   GLU  15          1HB       GLU  15   4.483   6.147 -13.904
  116   2HB   GLU  15          2HB       GLU  15   5.608   5.592 -12.680
  117   1HG   GLU  15          1HG       GLU  15   5.963   3.490 -14.131
  118   2HG   GLU  15          2HG       GLU  15   5.058   4.308 -15.390
  119    H    CYS  16           H        CYS  16   2.243   5.433 -14.630
  120    HA   CYS  16           HA       CYS  16   2.446   3.056 -16.274
  121   1HB   CYS  16          1HB       CYS  16  -0.017   3.240 -16.827
  122   2HB   CYS  16          2HB       CYS  16   0.407   2.510 -15.291
  123    H    LEU  17           H        LEU  17   1.506   3.696 -18.603
  124    HA   LEU  17           HA       LEU  17   3.426   5.735 -19.107
  125   1HB   LEU  17          1HB       LEU  17   1.748   4.051 -20.972
  126   2HB   LEU  17          2HB       LEU  17   3.060   5.102 -21.467
  127    HG   LEU  17           HG       LEU  17   3.413   2.772 -19.563
  128   1HD1  LEU  17          1HD1      LEU  17   2.619   1.927 -21.703
  129   2HD1  LEU  17          2HD1      LEU  17   3.874   2.856 -22.558
  130   3HD1  LEU  17          3HD1      LEU  17   4.337   1.528 -21.467
  131   1HD2  LEU  17          1HD2      LEU  17   5.361   4.562 -21.029
  132   2HD2  LEU  17          2HD2      LEU  17   5.167   4.349 -19.272
  133   3HD2  LEU  17          3HD2      LEU  17   5.819   3.021 -20.264
  134    H    LYS  18           H        LYS  18  -0.029   5.288 -20.161
  135    HA   LYS  18           HA       LYS  18  -0.266   8.209 -19.992
  136   1HB   LYS  18          1HB       LYS  18  -1.745   6.599 -22.064
  137   2HB   LYS  18          2HB       LYS  18  -1.455   8.326 -22.009
  138   1HG   LYS  18          1HG       LYS  18   0.991   7.929 -22.355
  139   2HG   LYS  18          2HG       LYS  18   0.706   6.201 -22.406
  140   1HD   LYS  18          1HD       LYS  18  -0.456   8.252 -24.351
  141   2HD   LYS  18          2HD       LYS  18   0.867   7.156 -24.697
  142   1HE   LYS  18          1HE       LYS  18  -2.043   6.429 -24.152
  143   2HE   LYS  18          2HE       LYS  18  -1.138   6.166 -25.629
  144   1HZ   LYS  18          1HZ       LYS  18   0.342   4.725 -24.247
  145   2HZ   LYS  18          2HZ       LYS  18  -0.773   4.813 -23.057
  146   3HZ   LYS  18          3HZ       LYS  18  -1.164   4.148 -24.496
  147    H    LEU  19           H        LEU  19  -2.045   8.967 -18.885
  148    HA   LEU  19           HA       LEU  19  -3.542   7.267 -17.286
  149   1HB   LEU  19          1HB       LEU  19  -5.005   9.233 -16.974
  150   2HB   LEU  19          2HB       LEU  19  -3.301   9.548 -16.715
  151    HG   LEU  19           HG       LEU  19  -3.866  10.151 -19.445
  152   1HD1  LEU  19          1HD1      LEU  19  -6.226  10.293 -18.832
  153   2HD1  LEU  19          2HD1      LEU  19  -5.829  11.437 -17.526
  154   3HD1  LEU  19          3HD1      LEU  19  -5.566  11.899 -19.224
  155   1HD2  LEU  19          1HD2      LEU  19  -2.095  11.134 -18.051
  156   2HD2  LEU  19          2HD2      LEU  19  -3.110  12.375 -18.822
  157   3HD2  LEU  19          3HD2      LEU  19  -3.329  11.992 -17.099
  158    H    GLY  20           H        GLY  20  -5.369   6.054 -17.580
  159   1HA   GLY  20          1HA       GLY  20  -7.408   5.651 -18.802
  160   2HA   GLY  20          2HA       GLY  20  -6.608   6.202 -20.260
  161    H    ASP  21           H        ASP  21  -4.012   4.792 -19.349
  162    HA   ASP  21           HA       ASP  21  -4.589   2.434 -20.776
  163   1HB   ASP  21          1HB       ASP  21  -2.113   3.357 -19.245
  164   2HB   ASP  21          2HB       ASP  21  -2.152   1.902 -20.221
  165    H    ASN  22           H        ASN  22  -6.264   1.553 -19.182
  166    HA   ASN  22           HA       ASN  22  -5.273   1.136 -16.517
  167   1HB   ASN  22          1HB       ASN  22  -7.677   0.474 -16.057
  168   2HB   ASN  22          2HB       ASN  22  -7.524   2.083 -16.734
  169   1HD2  ASN  22          1HD2      ASN  22  -9.537  -0.900 -18.635
  170   2HD2  ASN  22          2HD2      ASN  22  -8.522  -1.202 -17.265
  171    H    ASP  23           H        ASP  23  -3.967  -0.503 -18.442
  172    HA   ASP  23           HA       ASP  23  -5.416  -3.019 -18.356
  173   1HB   ASP  23          1HB       ASP  23  -4.812  -2.488 -20.601
  174   2HB   ASP  23          2HB       ASP  23  -3.235  -1.884 -20.132
  175    H    TYR  24           H        TYR  24  -2.023  -1.676 -18.189
  176    HA   TYR  24           HA       TYR  24  -0.897  -3.907 -16.933
  177   1HB   TYR  24          1HB       TYR  24  -0.273  -0.888 -16.871
  178   2HB   TYR  24          2HB       TYR  24   0.872  -2.124 -16.385
  179    HD1  TYR  24           HD1      TYR  24   1.474  -3.926 -18.198
  180    HD2  TYR  24           HD2      TYR  24  -0.295  -0.132 -19.084
  181    HE1  TYR  24           HE1      TYR  24   2.300  -4.093 -20.596
  182    HE2  TYR  24           HE2      TYR  24   0.538  -0.312 -21.480
  183    HH   TYR  24           HH       TYR  24   1.547  -1.532 -22.944
  184    H    CYS  25           H        CYS  25  -2.571  -0.995 -15.670
  185    HA   CYS  25           HA       CYS  25  -1.607  -1.249 -13.057
  186   1HB   CYS  25          1HB       CYS  25  -4.045   0.143 -14.175
  187   2HB   CYS  25          2HB       CYS  25  -3.559   0.246 -12.495
  188    H    LEU  26           H        LEU  26  -4.534  -2.434 -14.808
  189    HA   LEU  26           HA       LEU  26  -5.777  -3.591 -12.577
  190   1HB   LEU  26          1HB       LEU  26  -6.273  -3.264 -15.321
  191   2HB   LEU  26          2HB       LEU  26  -6.289  -4.995 -15.050
  192    HG   LEU  26           HG       LEU  26  -7.823  -3.403 -13.079
  193   1HD1  LEU  26          1HD1      LEU  26  -8.721  -3.585 -15.968
  194   2HD1  LEU  26          2HD1      LEU  26  -9.743  -3.088 -14.597
  195   3HD1  LEU  26          3HD1      LEU  26  -8.333  -2.105 -15.059
  196   1HD2  LEU  26          1HD2      LEU  26  -8.303  -5.944 -14.649
  197   2HD2  LEU  26          2HD2      LEU  26  -7.897  -5.780 -12.925
  198   3HD2  LEU  26          3HD2      LEU  26  -9.482  -5.235 -13.521
  199    H    ARG  27           H        ARG  27  -3.672  -5.044 -15.162
  200    HA   ARG  27           HA       ARG  27  -3.840  -7.587 -14.218
  201   1HB   ARG  27          1HB       ARG  27  -2.141  -6.079 -16.079
  202   2HB   ARG  27          2HB       ARG  27  -1.212  -7.327 -15.271
  203   1HG   ARG  27          1HG       ARG  27  -3.352  -8.838 -15.850
  204   2HG   ARG  27          2HG       ARG  27  -3.611  -7.620 -17.084
  205   1HD   ARG  27          1HD       ARG  27  -1.142  -9.377 -16.723
  206   2HD   ARG  27          2HD       ARG  27  -2.266  -9.395 -18.068
  207    HE   ARG  27           HE       ARG  27  -0.034  -7.585 -17.726
  208   1HH1  ARG  27          2HH1      ARG  27  -3.171  -7.978 -19.263
  209   2HH1  ARG  27          1HH1      ARG  27  -3.051  -6.512 -20.180
  210   1HH2  ARG  27          1HH2      ARG  27   0.241  -5.801 -19.134
  211   2HH2  ARG  27          2HH2      ARG  27  -1.038  -5.345 -20.209
  212    H    GLU  28           H        GLU  28  -1.660  -4.894 -13.265
  213    HA   GLU  28           HA       GLU  28   0.166  -6.448 -11.869
  214   1HB   GLU  28          1HB       GLU  28   0.429  -4.033 -12.646
  215   2HB   GLU  28          2HB       GLU  28  -0.579  -3.548 -11.297
  216   1HG   GLU  28          1HG       GLU  28   1.024  -4.526  -9.691
  217   2HG   GLU  28          2HG       GLU  28   2.000  -5.159 -11.001
  218    H    CYS  29           H        CYS  29  -2.582  -4.397 -10.637
  219    HA   CYS  29           HA       CYS  29  -2.213  -5.137  -7.985
  220   1HB   CYS  29          1HB       CYS  29  -4.168  -3.640  -9.553
  221   2HB   CYS  29          2HB       CYS  29  -4.906  -4.503  -8.219
  222    H    LYS  30           H        LYS  30  -3.799  -6.668 -10.757
  223    HA   LYS  30           HA       LYS  30  -5.447  -8.437  -9.322
  224   1HB   LYS  30          1HB       LYS  30  -5.469  -7.769 -11.822
  225   2HB   LYS  30          2HB       LYS  30  -4.244  -9.002 -12.032
  226   1HG   LYS  30          1HG       LYS  30  -5.730 -10.731 -11.133
  227   2HG   LYS  30          2HG       LYS  30  -6.922  -9.533 -10.668
  228   1HD   LYS  30          1HD       LYS  30  -7.214  -8.908 -13.088
  229   2HD   LYS  30          2HD       LYS  30  -6.056 -10.145 -13.534
  230   1HE   LYS  30          1HE       LYS  30  -7.520 -11.900 -12.536
  231   2HE   LYS  30          2HE       LYS  30  -8.667 -10.674 -12.035
  232   1HZ   LYS  30          1HZ       LYS  30  -8.961 -10.093 -14.351
  233   2HZ   LYS  30          2HZ       LYS  30  -7.897 -11.242 -14.814
  234   3HZ   LYS  30          3HZ       LYS  30  -9.305 -11.671 -14.107
  235    H    GLN  31           H        GLN  31  -2.124  -8.804 -10.743
  236    HA   GLN  31           HA       GLN  31  -1.911 -11.229  -9.147
  237   1HB   GLN  31          1HB       GLN  31  -0.279 -10.359 -11.573
  238   2HB   GLN  31          2HB       GLN  31  -0.098 -11.881 -10.723
  239   1HG   GLN  31          1HG       GLN  31  -2.531 -12.396 -11.244
  240   2HG   GLN  31          2HG       GLN  31  -2.596 -10.932 -12.204
  241   1HE2  GLN  31          1HE2      GLN  31  -0.496 -12.092 -14.841
  242   2HE2  GLN  31          2HE2      GLN  31  -0.958 -10.696 -13.926
  243    H    GLN  32           H        GLN  32  -1.657  -8.904  -7.669
  244    HA   GLN  32           HA       GLN  32   0.831  -9.582  -6.562
  245   1HB   GLN  32          1HB       GLN  32   2.168  -7.781  -7.010
  246   2HB   GLN  32          2HB       GLN  32   1.158  -7.635  -8.434
  247   1HG   GLN  32          1HG       GLN  32   1.041  -5.461  -7.558
  248   2HG   GLN  32          2HG       GLN  32  -0.409  -6.181  -6.888
  249   1HE2  GLN  32          1HE2      GLN  32   0.911  -4.575  -3.981
  250   2HE2  GLN  32          2HE2      GLN  32  -0.042  -4.323  -5.404
  251    H    TYR  33           H        TYR  33  -2.032  -7.436  -6.727
  252    HA   TYR  33           HA       TYR  33  -2.134  -7.612  -3.790
  253   1HB   TYR  33          1HB       TYR  33  -2.275  -5.425  -5.697
  254   2HB   TYR  33          2HB       TYR  33  -3.895  -5.630  -5.059
  255    HD1  TYR  33           HD1      TYR  33  -3.012  -6.584  -2.248
  256    HD2  TYR  33           HD2      TYR  33  -1.812  -3.296  -4.707
  257    HE1  TYR  33           HE1      TYR  33  -2.358  -5.265  -0.176
  258    HE2  TYR  33           HE2      TYR  33  -1.163  -1.986  -2.626
  259    HH   TYR  33           HH       TYR  33  -0.920  -3.473   0.435
  260    H    GLY  34           H        GLY  34  -3.068  -9.594  -5.905
  261   1HA   GLY  34          1HA       GLY  34  -4.577 -11.193  -5.105
  262   2HA   GLY  34          2HA       GLY  34  -5.584  -9.928  -4.431
  263    H    LYS  35           H        LYS  35  -6.081 -12.233  -6.452
  264    HA   LYS  35           HA       LYS  35  -6.257 -10.895  -8.986
  265   1HB   LYS  35          1HB       LYS  35  -6.883 -13.716  -8.077
  266   2HB   LYS  35          2HB       LYS  35  -7.093 -13.163  -9.725
  267   1HG   LYS  35          1HG       LYS  35  -4.691 -12.552  -9.860
  268   2HG   LYS  35          2HG       LYS  35  -4.460 -13.006  -8.183
  269   1HD   LYS  35          1HD       LYS  35  -5.620 -15.042 -10.099
  270   2HD   LYS  35          2HD       LYS  35  -3.898 -14.723 -10.146
  271   1HE   LYS  35          1HE       LYS  35  -5.278 -15.302  -7.501
  272   2HE   LYS  35          2HE       LYS  35  -4.797 -16.617  -8.555
  273   1HZ   LYS  35          1HZ       LYS  35  -2.995 -14.527  -7.543
  274   2HZ   LYS  35          2HZ       LYS  35  -3.081 -16.058  -6.983
  275   3HZ   LYS  35          3HZ       LYS  35  -2.555 -15.773  -8.502
  276    H    GLY  36           H        GLY  36  -7.791  -9.225  -7.823
  277   1HA   GLY  36          1HA       GLY  36 -10.185  -9.701  -9.302
  278   2HA   GLY  36          2HA       GLY  36 -10.493  -9.673  -7.577
  279    H    ALA  37           H        ALA  37  -8.707  -7.794 -10.136
  280    HA   ALA  37           HA       ALA  37  -8.856  -5.485  -8.344
  281   1HB   ALA  37          1HB       ALA  37  -7.066  -6.127 -10.721
  282   2HB   ALA  37          2HB       ALA  37  -6.991  -4.630  -9.763
  283   3HB   ALA  37          3HB       ALA  37  -6.611  -6.195  -9.002
  284    H    GLY  38           H        GLY  38  -9.709  -3.475  -9.070
  285   1HA   GLY  38          1HA       GLY  38 -10.710  -3.461 -11.855
  286   2HA   GLY  38          2HA       GLY  38 -11.520  -2.653 -10.528
  287    H    GLY  39           H        GLY  39  -8.231  -2.438  -9.852
  288   1HA   GLY  39          1HA       GLY  39  -8.099   0.291  -9.956
  289   2HA   GLY  39          2HA       GLY  39  -6.714  -0.782 -10.000
  290    H    TYR  40           H        TYR  40  -6.544   1.646 -11.336
  291    HA   TYR  40           HA       TYR  40  -6.424   0.852 -14.107
  292   1HB   TYR  40          1HB       TYR  40  -7.868   2.953 -14.645
  293   2HB   TYR  40          2HB       TYR  40  -8.753   1.601 -13.968
  294    HD1  TYR  40           HD1      TYR  40  -7.317   4.931 -13.211
  295    HD2  TYR  40           HD2      TYR  40  -9.824   1.754 -11.821
  296    HE1  TYR  40           HE1      TYR  40  -8.187   6.424 -11.346
  297    HE2  TYR  40           HE2      TYR  40 -10.685   3.258  -9.961
  298    HH   TYR  40           HH       TYR  40  -9.420   6.555  -9.576
  299    H    CYS  41           H        CYS  41  -5.917   3.157 -15.386
  300    HA   CYS  41           HA       CYS  41  -3.552   4.050 -13.932
  301   1HB   CYS  41          1HB       CYS  41  -3.143   2.966 -16.072
  302   2HB   CYS  41          2HB       CYS  41  -4.205   4.099 -16.886
  303    H    TYR  42           H        TYR  42  -4.062   5.913 -12.767
  304    HA   TYR  42           HA       TYR  42  -5.647   7.985 -13.990
  305   1HB   TYR  42          1HB       TYR  42  -4.567   7.167 -11.419
  306   2HB   TYR  42          2HB       TYR  42  -3.907   8.755 -11.753
  307    HD1  TYR  42           HD1      TYR  42  -6.280   9.904 -13.280
  308    HD2  TYR  42           HD2      TYR  42  -6.046   7.670  -9.638
  309    HE1  TYR  42           HE1      TYR  42  -8.446  10.967 -12.480
  310    HE2  TYR  42           HE2      TYR  42  -8.213   8.741  -8.851
  311    HH   TYR  42           HH       TYR  42  -9.913  11.094 -10.907
  312    H    ALA  43           H        ALA  43  -4.177  10.289 -13.229
  313    HA   ALA  43           HA       ALA  43  -2.367  10.734 -15.246
  314   1HB   ALA  43          1HB       ALA  43  -2.509  11.905 -12.437
  315   2HB   ALA  43          2HB       ALA  43  -1.590  12.607 -13.791
  316   3HB   ALA  43          3HB       ALA  43  -3.365  12.500 -13.881
  317    H    PHE  44           H        PHE  44  -1.152   8.677 -15.411
  318    HA   PHE  44           HA       PHE  44   0.815   7.685 -15.294
  319   1HB   PHE  44          1HB       PHE  44   1.719  10.225 -13.827
  320   2HB   PHE  44          2HB       PHE  44   2.710   9.209 -14.856
  321    HD1  PHE  44           HD1      PHE  44   1.737   8.968 -17.348
  322    HD2  PHE  44           HD2      PHE  44   0.969  12.210 -14.720
  323    HE1  PHE  44           HE1      PHE  44   1.203  10.436 -19.313
  324    HE2  PHE  44           HE2      PHE  44   0.435  13.677 -16.685
  325    HZ   PHE  44           HZ       PHE  44   0.559  12.772 -18.958
  326    H    ALA  45           H        ALA  45  -1.022   7.282 -13.001
  327    HA   ALA  45           HA       ALA  45   0.956   5.736 -11.639
  328   1HB   ALA  45          1HB       ALA  45  -0.610   7.879 -10.150
  329   2HB   ALA  45          2HB       ALA  45   0.218   6.519  -9.353
  330   3HB   ALA  45          3HB       ALA  45   1.159   7.718 -10.272
  331    H    CYS  46           H        CYS  46  -0.076   4.011 -10.335
  332    HA   CYS  46           HA       CYS  46  -2.551   3.342 -11.693
  333   1HB   CYS  46          1HB       CYS  46  -0.510   1.688 -10.206
  334   2HB   CYS  46          2HB       CYS  46  -2.044   1.039 -10.749
  335    H    TRP  47           H        TRP  47  -4.451   3.714 -10.609
  336    HA   TRP  47           HA       TRP  47  -4.329   3.787  -7.679
  337   1HB   TRP  47          1HB       TRP  47  -5.091   5.847  -8.575
  338   2HB   TRP  47          2HB       TRP  47  -6.196   5.054  -9.680
  339    HD1  TRP  47           HD1      TRP  47  -8.243   3.547  -8.228
  340    HE1  TRP  47           HE1      TRP  47  -9.714   4.308  -6.173
  341    HE3  TRP  47           HE3      TRP  47  -5.124   7.260  -6.700
  342    HZ2  TRP  47           HZ2      TRP  47  -9.414   6.332  -4.184
  343    HZ3  TRP  47           HZ3      TRP  47  -5.787   8.582  -4.693
  344    HH2  TRP  47           HH2      TRP  47  -7.850   8.168  -3.448
  345    H    CYS  48           H        CYS  48  -5.327   2.154  -6.540
  346    HA   CYS  48           HA       CYS  48  -6.808   0.237  -8.190
  347   1HB   CYS  48          1HB       CYS  48  -4.807  -0.222  -5.982
  348   2HB   CYS  48          2HB       CYS  48  -5.939  -1.459  -6.488
  349    H    THR  49           H        THR  49  -8.561  -0.963  -6.966
  350    HA   THR  49           HA       THR  49  -9.695   0.550  -4.792
  351    HB   THR  49           HB       THR  49 -10.039   2.193  -6.545
  352    HG1  THR  49           HG1      THR  49 -12.297   2.144  -6.323
  353   1HG2  THR  49          1HG2      THR  49 -10.957  -0.213  -8.193
  354   2HG2  THR  49          2HG2      THR  49 -11.384   1.462  -8.622
  355   3HG2  THR  49          3HG2      THR  49  -9.678   0.955  -8.603
  356    H    HIS  50           H        HIS  50  -9.004  -2.242  -5.350
  357    HA   HIS  50           HA       HIS  50 -11.532  -3.267  -4.525
  358   1HB   HIS  50          1HB       HIS  50 -11.474  -3.276  -7.132
  359   2HB   HIS  50          2HB       HIS  50 -10.360  -4.616  -6.948
  360    HD1  HIS  50           HD1      HIS  50 -11.592  -6.288  -4.747
  361    HD2  HIS  50           HD2      HIS  50 -13.882  -4.408  -7.716
  362    HE1  HIS  50           HE1      HIS  50 -13.796  -7.570  -4.869
  363    H    LEU  51           H        LEU  51  -8.794  -2.827  -3.478
  364    HA   LEU  51           HA       LEU  51  -7.635  -5.417  -3.226
  365   1HB   LEU  51          1HB       LEU  51  -7.267  -3.011  -1.444
  366   2HB   LEU  51          2HB       LEU  51  -6.200  -4.392  -1.606
  367    HG   LEU  51           HG       LEU  51  -5.067  -2.872  -2.870
  368   1HD1  LEU  51          1HD1      LEU  51  -5.790  -4.860  -4.277
  369   2HD1  LEU  51          2HD1      LEU  51  -6.968  -3.767  -5.041
  370   3HD1  LEU  51          3HD1      LEU  51  -5.226  -3.421  -5.159
  371   1HD2  LEU  51          1HD2      LEU  51  -7.297  -1.323  -2.631
  372   2HD2  LEU  51          2HD2      LEU  51  -5.847  -0.888  -3.566
  373   3HD2  LEU  51          3HD2      LEU  51  -7.253  -1.608  -4.388
  374    H    TYR  52           H        TYR  52  -7.303  -6.129  -0.684
  375    HA   TYR  52           HA       TYR  52  -9.932  -5.922   0.610
  376   1HB   TYR  52          1HB       TYR  52  -8.313  -7.679   2.062
  377   2HB   TYR  52          2HB       TYR  52  -9.392  -8.194   0.781
  378    HD1  TYR  52           HD1      TYR  52  -5.887  -7.015   1.358
  379    HD2  TYR  52           HD2      TYR  52  -8.538  -9.306  -1.097
  380    HE1  TYR  52           HE1      TYR  52  -3.906  -7.908   0.038
  381    HE2  TYR  52           HE2      TYR  52  -6.548 -10.191  -2.409
  382    HH   TYR  52           HH       TYR  52  -3.240  -9.217  -1.539
  383    H    GLU  53           H        GLU  53  -9.405  -6.202   3.231
  384    HA   GLU  53           HA       GLU  53  -8.644  -3.648   3.913
  385   1HB   GLU  53          1HB       GLU  53  -8.925  -4.362   6.210
  386   2HB   GLU  53          2HB       GLU  53 -10.133  -5.186   5.243
  387   1HG   GLU  53          1HG       GLU  53  -8.530  -7.176   5.093
  388   2HG   GLU  53          2HG       GLU  53  -7.495  -6.354   6.243
  389    H    GLN  54           H        GLN  54  -6.749  -6.563   3.391
  390    HA   GLN  54           HA       GLN  54  -4.494  -5.490   4.809
  391   1HB   GLN  54          1HB       GLN  54  -4.933  -8.035   3.196
  392   2HB   GLN  54          2HB       GLN  54  -3.373  -7.607   3.868
  393   1HG   GLN  54          1HG       GLN  54  -5.945  -7.919   5.489
  394   2HG   GLN  54          2HG       GLN  54  -4.685  -9.132   5.369
  395   1HE2  GLN  54          1HE2      GLN  54  -4.440  -6.761   8.396
  396   2HE2  GLN  54          2HE2      GLN  54  -5.797  -7.505   7.618
  397    H    ALA  55           H        ALA  55  -5.737  -4.139   2.230
  398    HA   ALA  55           HA       ALA  55  -3.022  -3.576   1.318
  399   1HB   ALA  55          1HB       ALA  55  -5.758  -2.419   0.670
  400   2HB   ALA  55          2HB       ALA  55  -4.234  -1.736   0.054
  401   3HB   ALA  55          3HB       ALA  55  -4.708  -3.394  -0.386
  402    H    ILE  56           H        ILE  56  -1.707  -2.262   2.699
  403    HA   ILE  56           HA       ILE  56  -3.168   0.233   3.224
  404    HB   ILE  56           HB       ILE  56  -0.530  -0.770   4.290
  405   1HG1  ILE  56          1HG1      ILE  56  -2.023  -0.015   6.434
  406   2HG1  ILE  56          2HG1      ILE  56  -3.290  -0.559   5.351
  407   1HG2  ILE  56          1HG2      ILE  56  -1.786   1.976   4.533
  408   2HG2  ILE  56          2HG2      ILE  56  -0.437   1.385   5.532
  409   3HG2  ILE  56          3HG2      ILE  56  -0.232   1.558   3.773
  410   1HD1  ILE  56          1HD1      ILE  56  -0.814  -2.176   6.115
  411   2HD1  ILE  56          2HD1      ILE  56  -2.456  -2.426   6.752
  412   3HD1  ILE  56          3HD1      ILE  56  -2.114  -2.727   5.032
  413    H    VAL  57           H        VAL  57  -2.819   1.945   1.865
  414    HA   VAL  57           HA       VAL  57  -1.413   1.207  -0.542
  415    HB   VAL  57           HB       VAL  57  -3.762   2.278  -0.247
  416   1HG1  VAL  57          1HG1      VAL  57  -2.849   4.184   1.143
  417   2HG1  VAL  57          2HG1      VAL  57  -2.106   4.817  -0.345
  418   3HG1  VAL  57          3HG1      VAL  57  -3.876   4.664  -0.230
  419   1HG2  VAL  57          1HG2      VAL  57  -1.924   2.141  -2.341
  420   2HG2  VAL  57          2HG2      VAL  57  -3.663   2.493  -2.472
  421   3HG2  VAL  57          3HG2      VAL  57  -2.490   3.828  -2.364
  422    H    TRP  58           H        TRP  58  -0.496   3.613  -1.579
  423    HA   TRP  58           HA       TRP  58   2.056   3.294  -0.404
  424   1HB   TRP  58          1HB       TRP  58   1.806   3.478  -2.786
  425   2HB   TRP  58          2HB       TRP  58   1.038   5.047  -2.643
  426    HD1  TRP  58           HD1      TRP  58   4.499   3.427  -2.645
  427    HE1  TRP  58           HE1      TRP  58   6.423   5.232  -2.701
  428    HE3  TRP  58           HE3      TRP  58   1.478   7.436  -1.839
  429    HZ2  TRP  58           HZ2      TRP  58   6.464   8.071  -2.408
  430    HZ3  TRP  58           HZ3      TRP  58   2.540   9.689  -1.738
  431    HH2  TRP  58           HH2      TRP  58   4.944  10.041  -2.007
  432    HA   PRO  59           HA       PRO  59   3.713   4.091  -0.178
  433   1HB   PRO  59          1HB       PRO  59   5.632   4.874   1.603
  434   2HB   PRO  59          2HB       PRO  59   5.506   5.526  -0.018
  435   1HG   PRO  59          1HG       PRO  59   4.755   6.785   2.549
  436   2HG   PRO  59          2HG       PRO  59   5.037   7.545   0.994
  437   1HD   PRO  59          1HD       PRO  59   2.494   7.025   2.213
  438   2HD   PRO  59          2HD       PRO  59   2.774   7.678   0.612
  439    H    LEU  60           H        LEU  60   5.244   2.584   1.391
  440    HA   LEU  60           HA       LEU  60   3.705   1.542   3.500
  441   1HB   LEU  60          1HB       LEU  60   6.668   1.566   2.932
  442   2HB   LEU  60          2HB       LEU  60   5.959   0.727   4.297
  443    HG   LEU  60           HG       LEU  60   5.984  -1.026   2.886
  444   1HD1  LEU  60          1HD1      LEU  60   3.594  -0.576   3.259
  445   2HD1  LEU  60          2HD1      LEU  60   3.541   0.361   1.747
  446   3HD1  LEU  60          3HD1      LEU  60   3.893  -1.383   1.702
  447   1HD2  LEU  60          1HD2      LEU  60   7.236   0.312   1.178
  448   2HD2  LEU  60          2HD2      LEU  60   6.179  -0.954   0.506
  449   3HD2  LEU  60          3HD2      LEU  60   5.669   0.750   0.454
  450    HA   PRO  61           HA       PRO  61   4.509   4.518   6.633
  451   1HB   PRO  61          1HB       PRO  61   4.269   2.973   8.874
  452   2HB   PRO  61          2HB       PRO  61   2.896   3.672   8.039
  453   1HG   PRO  61          1HG       PRO  61   3.831   0.868   8.044
  454   2HG   PRO  61          2HG       PRO  61   2.263   1.501   7.585
  455   1HD   PRO  61          1HD       PRO  61   4.347   0.629   5.817
  456   2HD   PRO  61          2HD       PRO  61   2.826   1.370   5.359
  457    H    ASN  62           H        ASN  62   6.189   1.418   7.094
  458    HA   ASN  62           HA       ASN  62   7.975   2.973   8.778
  459   1HB   ASN  62          1HB       ASN  62   8.479   0.758   9.868
  460   2HB   ASN  62          2HB       ASN  62   6.776   1.162   9.948
  461   1HD2  ASN  62          1HD2      ASN  62   7.636  -2.392   8.689
  462   2HD2  ASN  62          2HD2      ASN  62   8.363  -1.400   9.908
  463    H    LYS  63           H        LYS  63   7.853   2.024   5.669
  464    HA   LYS  63           HA       LYS  63  10.682   1.968   5.419
  465   1HB   LYS  63          1HB       LYS  63  10.768  -0.234   4.213
  466   2HB   LYS  63          2HB       LYS  63  10.552  -0.341   5.948
  467   1HG   LYS  63          1HG       LYS  63   8.282  -0.978   5.769
  468   2HG   LYS  63          2HG       LYS  63   8.100  -0.272   4.175
  469   1HD   LYS  63          1HD       LYS  63   9.964  -2.632   4.650
  470   2HD   LYS  63          2HD       LYS  63   8.254  -2.872   4.352
  471   1HE   LYS  63          1HE       LYS  63   8.503  -1.506   2.214
  472   2HE   LYS  63          2HE       LYS  63  10.233  -1.465   2.497
  473   1HZ   LYS  63          1HZ       LYS  63   9.942  -3.999   2.668
  474   2HZ   LYS  63          2HZ       LYS  63   8.558  -3.749   1.840
  475   3HZ   LYS  63          3HZ       LYS  63   9.988  -3.298   1.194
  476    H    ARG  64           H        ARG  64   9.091   3.925   4.578
  477    HA   ARG  64           HA       ARG  64   8.052   3.552   2.032
  478   1HB   ARG  64          1HB       ARG  64   8.148   6.032   1.877
  479   2HB   ARG  64          2HB       ARG  64   7.548   5.535   3.447
  480   1HG   ARG  64          1HG       ARG  64   9.718   5.934   4.491
  481   2HG   ARG  64          2HG       ARG  64  10.486   6.180   2.935
  482   1HD   ARG  64          1HD       ARG  64   9.083   8.211   2.549
  483   2HD   ARG  64          2HD       ARG  64   8.282   7.959   4.086
  484    HE   ARG  64           HE       ARG  64  10.247   8.654   5.233
  485   1HH1  ARG  64          2HH1      ARG  64  11.068   8.061   1.877
  486   2HH1  ARG  64          1HH1      ARG  64  12.364   9.209   1.846
  487   1HH2  ARG  64          1HH2      ARG  64  11.998  10.147   5.223
  488   2HH2  ARG  64          2HH2      ARG  64  12.988  10.290   3.809
  489    H    CYS  65           H        CYS  65   9.023   4.752   0.010
  490    HA   CYS  65           HA       CYS  65  11.588   3.756  -0.516
  491   1HB   CYS  65          1HB       CYS  65   9.595   4.440  -2.092
  492   2HB   CYS  65          2HB       CYS  65  10.393   6.001  -2.099
  493    H    SER  66           H        SER  66  13.603   4.957  -0.780
  494    HA   SER  66           HA       SER  66  14.019   6.650   1.361
  495   1HB   SER  66          1HB       SER  66  16.300   6.905   0.454
  496   2HB   SER  66          2HB       SER  66  15.782   5.234   0.368
  497    HG   SER  66           HG       SER  66  16.786   5.897  -1.617
  498   1HN   NH2  67          1H        SER  66  14.223   7.341  -2.152
  499   2HN   NH2  67          2H        SER  66  13.949   9.048  -2.044
   
  No H/Q in entry =         499